----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 14:27:19]------------------------- 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 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pna2_1 (33) Number of symmetry operations in supercell: 16 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 12.406579989999997 0.000000000000000 0.000000000000000 b 0.000000000000000 7.432928889999999 0.000000000000000 c 0.000000000000000 0.000000000000000 6.033796330000000 Atomic positions (fractional): *1 Zn 0.66041888936458 0.50940528664225 0.50222875338514 65.380 2 Zn 0.33958111063542 0.49059471335775 0.00222875338514 65.380 3 Zn 0.16041888936458 0.99059471335775 0.50222875338514 65.380 4 Zn 0.83958111063542 0.00940528664225 0.00222875338514 65.380 *5 Ag 0.42664468004725 0.23070111592626 0.49932223877210 107.868 6 Ag 0.07335531995275 0.73070111592626 0.99932223877210 107.868 7 Ag 0.57335531995275 0.76929888407374 0.99932223877210 107.868 8 Ag 0.92664468004725 0.26929888407374 0.49932223877210 107.868 *9 P 0.40597092601704 0.73619350096380 0.50571550887592 30.974 10 P 0.09402907398296 0.23619350096380 0.00571550887592 30.974 11 P 0.90597092601704 0.76380649903620 0.50571550887592 30.974 12 P 0.59402907398296 0.26380649903620 0.00571550887592 30.974 *13 S 0.82508034893123 0.98849314401389 0.61544952527807 32.065 14 S 0.67491965106877 0.48849314401389 0.11544952527807 32.065 *15 S 0.88747102841318 0.73994166471701 0.16575882238535 32.065 16 S 0.38747102841318 0.76005833528299 0.16575882238535 32.065 *17 S 0.83395331919104 0.54426589813604 0.65233563503344 32.065 18 S 0.33395331919104 0.95573410186396 0.65233563503344 32.065 *19 S 0.56619961688534 0.76899503203478 0.58848879626998 32.065 20 S 0.17491965106877 0.01150685598611 0.11544952527807 32.065 21 S 0.06619961688534 0.73100496796522 0.58848879626998 32.065 22 S 0.61252897158682 0.23994166471701 0.66575882238535 32.065 23 S 0.43380038311466 0.23100496796522 0.08848879626998 32.065 24 S 0.16604668080896 0.45573410186396 0.15233563503344 32.065 25 S 0.66604668080896 0.04426589813604 0.15233563503344 32.065 26 S 0.11252897158682 0.26005833528299 0.66575882238535 32.065 27 S 0.93380038311466 0.26899503203478 0.08848879626998 32.065 28 S 0.32508034893123 0.51150685598611 0.61544952527807 32.065 -------------------------------- unit cell --------------------------------- Lattice vectors: a 12.406579989999997 0.000000000000000 0.000000000000000 b 0.000000000000000 7.432928889999999 0.000000000000000 c 0.000000000000000 0.000000000000000 6.033796330000000 Atomic positions (fractional): *1 Zn 0.66041888936458 0.50940528664225 0.50222875338514 65.380 > 1 2 Zn 0.33958111063542 0.49059471335775 0.00222875338514 65.380 > 2 3 Zn 0.16041888936458 0.99059471335775 0.50222875338514 65.380 > 3 4 Zn 0.83958111063542 0.00940528664225 0.00222875338514 65.380 > 4 *5 Ag 0.42664468004725 0.23070111592626 0.49932223877210 107.868 > 5 6 Ag 0.07335531995275 0.73070111592626 0.99932223877210 107.868 > 6 7 Ag 0.57335531995275 0.76929888407374 0.99932223877210 107.868 > 7 8 Ag 0.92664468004725 0.26929888407374 0.49932223877210 107.868 > 8 *9 P 0.40597092601704 0.73619350096380 0.50571550887592 30.974 > 9 10 P 0.09402907398296 0.23619350096380 0.00571550887592 30.974 > 10 11 P 0.90597092601704 0.76380649903620 0.50571550887592 30.974 > 11 12 P 0.59402907398296 0.26380649903620 0.00571550887592 30.974 > 12 *13 S 0.82508034893123 0.98849314401389 0.61544952527807 32.065 > 13 14 S 0.67491965106877 0.48849314401389 0.11544952527807 32.065 > 14 *15 S 0.88747102841318 0.73994166471701 0.16575882238535 32.065 > 15 16 S 0.38747102841318 0.76005833528299 0.16575882238535 32.065 > 16 *17 S 0.83395331919104 0.54426589813604 0.65233563503344 32.065 > 17 18 S 0.33395331919104 0.95573410186396 0.65233563503344 32.065 > 18 *19 S 0.56619961688534 0.76899503203478 0.58848879626998 32.065 > 19 20 S 0.17491965106877 0.01150685598611 0.11544952527807 32.065 > 20 21 S 0.06619961688534 0.73100496796522 0.58848879626998 32.065 > 21 22 S 0.61252897158682 0.23994166471701 0.66575882238535 32.065 > 22 23 S 0.43380038311466 0.23100496796522 0.08848879626998 32.065 > 23 24 S 0.16604668080896 0.45573410186396 0.15233563503344 32.065 > 24 25 S 0.66604668080896 0.04426589813604 0.15233563503344 32.065 > 25 26 S 0.11252897158682 0.26005833528299 0.66575882238535 32.065 > 26 27 S 0.93380038311466 0.26899503203478 0.08848879626998 32.065 > 27 28 S 0.32508034893123 0.51150685598611 0.61544952527807 32.065 > 28 -------------------------------- super cell -------------------------------- Lattice vectors: a 12.406579989999997 0.000000000000000 0.000000000000000 b 0.000000000000000 14.865857779999997 0.000000000000000 c 0.000000000000000 0.000000000000000 12.067592660000001 Atomic positions (fractional): *1 Zn 0.66041888936458 0.25470264332113 0.25111437669257 65.380 > 1 2 Zn 0.66041888936458 0.75470264332113 0.25111437669257 65.380 > 1 3 Zn 0.66041888936458 0.25470264332113 0.75111437669257 65.380 > 1 4 Zn 0.66041888936458 0.75470264332113 0.75111437669257 65.380 > 1 5 Zn 0.33958111063542 0.24529735667887 0.00111437669257 65.380 > 2 6 Zn 0.33958111063542 0.74529735667887 0.00111437669257 65.380 > 2 7 Zn 0.33958111063542 0.24529735667887 0.50111437669257 65.380 > 2 8 Zn 0.33958111063542 0.74529735667887 0.50111437669257 65.380 > 2 9 Zn 0.16041888936458 0.49529735667887 0.25111437669257 65.380 > 3 10 Zn 0.16041888936458 0.99529735667887 0.25111437669257 65.380 > 3 11 Zn 0.16041888936458 0.49529735667887 0.75111437669257 65.380 > 3 12 Zn 0.16041888936458 0.99529735667887 0.75111437669257 65.380 > 3 13 Zn 0.83958111063542 0.00470264332113 0.00111437669257 65.380 > 4 14 Zn 0.83958111063542 0.50470264332113 0.00111437669257 65.380 > 4 15 Zn 0.83958111063542 0.00470264332113 0.50111437669257 65.380 > 4 16 Zn 0.83958111063542 0.50470264332113 0.50111437669257 65.380 > 4 *17 Ag 0.42664468004725 0.11535055796313 0.24966111938605 107.868 > 5 18 Ag 0.42664468004725 0.61535055796313 0.24966111938605 107.868 > 5 19 Ag 0.42664468004725 0.11535055796313 0.74966111938605 107.868 > 5 20 Ag 0.42664468004725 0.61535055796313 0.74966111938605 107.868 > 5 21 Ag 0.07335531995275 0.36535055796313 0.49966111938605 107.868 > 6 22 Ag 0.07335531995275 0.86535055796313 0.49966111938605 107.868 > 6 23 Ag 0.07335531995275 0.36535055796313 0.99966111938605 107.868 > 6 24 Ag 0.07335531995275 0.86535055796313 0.99966111938605 107.868 > 6 25 Ag 0.57335531995275 0.38464944203687 0.49966111938605 107.868 > 7 26 Ag 0.57335531995275 0.88464944203687 0.49966111938605 107.868 > 7 27 Ag 0.57335531995275 0.38464944203687 0.99966111938605 107.868 > 7 28 Ag 0.57335531995275 0.88464944203687 0.99966111938605 107.868 > 7 29 Ag 0.92664468004725 0.13464944203687 0.24966111938605 107.868 > 8 30 Ag 0.92664468004725 0.63464944203687 0.24966111938605 107.868 > 8 31 Ag 0.92664468004725 0.13464944203687 0.74966111938605 107.868 > 8 32 Ag 0.92664468004725 0.63464944203687 0.74966111938605 107.868 > 8 *33 P 0.40597092601704 0.36809675048190 0.25285775443796 30.974 > 9 34 P 0.40597092601704 0.86809675048190 0.25285775443796 30.974 > 9 35 P 0.40597092601704 0.36809675048190 0.75285775443796 30.974 > 9 36 P 0.40597092601704 0.86809675048190 0.75285775443796 30.974 > 9 37 P 0.09402907398296 0.11809675048190 0.00285775443796 30.974 > 10 38 P 0.09402907398296 0.61809675048190 0.00285775443796 30.974 > 10 39 P 0.09402907398296 0.11809675048190 0.50285775443796 30.974 > 10 40 P 0.09402907398296 0.61809675048190 0.50285775443796 30.974 > 10 41 P 0.90597092601704 0.38190324951810 0.25285775443796 30.974 > 11 42 P 0.90597092601704 0.88190324951810 0.25285775443796 30.974 > 11 43 P 0.90597092601704 0.38190324951810 0.75285775443796 30.974 > 11 44 P 0.90597092601704 0.88190324951810 0.75285775443796 30.974 > 11 45 P 0.59402907398296 0.13190324951810 0.00285775443796 30.974 > 12 46 P 0.59402907398296 0.63190324951810 0.00285775443796 30.974 > 12 47 P 0.59402907398296 0.13190324951810 0.50285775443796 30.974 > 12 48 P 0.59402907398296 0.63190324951810 0.50285775443796 30.974 > 12 *49 S 0.82508034893123 0.49424657200695 0.30772476263904 32.065 > 13 50 S 0.82508034893123 0.99424657200695 0.30772476263904 32.065 > 13 51 S 0.82508034893123 0.49424657200695 0.80772476263904 32.065 > 13 52 S 0.82508034893123 0.99424657200695 0.80772476263904 32.065 > 13 53 S 0.67491965106877 0.24424657200695 0.05772476263904 32.065 > 14 54 S 0.67491965106877 0.74424657200695 0.05772476263904 32.065 > 14 55 S 0.67491965106877 0.24424657200695 0.55772476263904 32.065 > 14 56 S 0.67491965106877 0.74424657200695 0.55772476263904 32.065 > 14 *57 S 0.88747102841318 0.36997083235851 0.08287941119267 32.065 > 15 58 S 0.88747102841318 0.86997083235851 0.08287941119267 32.065 > 15 59 S 0.88747102841318 0.36997083235851 0.58287941119267 32.065 > 15 60 S 0.88747102841318 0.86997083235851 0.58287941119267 32.065 > 15 61 S 0.38747102841318 0.38002916764149 0.08287941119267 32.065 > 16 62 S 0.38747102841318 0.88002916764149 0.08287941119267 32.065 > 16 63 S 0.38747102841318 0.38002916764149 0.58287941119267 32.065 > 16 64 S 0.38747102841318 0.88002916764149 0.58287941119267 32.065 > 16 *65 S 0.83395331919104 0.27213294906802 0.32616781751672 32.065 > 17 66 S 0.83395331919104 0.77213294906802 0.32616781751672 32.065 > 17 67 S 0.83395331919104 0.27213294906802 0.82616781751672 32.065 > 17 68 S 0.83395331919104 0.77213294906802 0.82616781751672 32.065 > 17 69 S 0.33395331919104 0.47786705093198 0.32616781751672 32.065 > 18 70 S 0.33395331919104 0.97786705093198 0.32616781751672 32.065 > 18 71 S 0.33395331919104 0.47786705093198 0.82616781751672 32.065 > 18 72 S 0.33395331919104 0.97786705093198 0.82616781751672 32.065 > 18 *73 S 0.56619961688534 0.38449751601739 0.29424439813499 32.065 > 19 74 S 0.56619961688534 0.88449751601739 0.29424439813499 32.065 > 19 75 S 0.56619961688534 0.38449751601739 0.79424439813499 32.065 > 19 76 S 0.56619961688534 0.88449751601739 0.79424439813499 32.065 > 19 77 S 0.17491965106877 0.00575342799305 0.05772476263904 32.065 > 20 78 S 0.17491965106877 0.50575342799305 0.05772476263904 32.065 > 20 79 S 0.17491965106877 0.00575342799305 0.55772476263904 32.065 > 20 80 S 0.17491965106877 0.50575342799305 0.55772476263904 32.065 > 20 81 S 0.06619961688534 0.36550248398261 0.29424439813499 32.065 > 21 82 S 0.06619961688534 0.86550248398261 0.29424439813499 32.065 > 21 83 S 0.06619961688534 0.36550248398261 0.79424439813499 32.065 > 21 84 S 0.06619961688534 0.86550248398261 0.79424439813499 32.065 > 21 85 S 0.61252897158682 0.11997083235851 0.33287941119267 32.065 > 22 86 S 0.61252897158682 0.61997083235851 0.33287941119267 32.065 > 22 87 S 0.61252897158682 0.11997083235851 0.83287941119267 32.065 > 22 88 S 0.61252897158682 0.61997083235851 0.83287941119267 32.065 > 22 89 S 0.43380038311466 0.11550248398261 0.04424439813499 32.065 > 23 90 S 0.43380038311466 0.61550248398261 0.04424439813499 32.065 > 23 91 S 0.43380038311466 0.11550248398261 0.54424439813499 32.065 > 23 92 S 0.43380038311466 0.61550248398261 0.54424439813499 32.065 > 23 93 S 0.16604668080896 0.22786705093198 0.07616781751672 32.065 > 24 94 S 0.16604668080896 0.72786705093198 0.07616781751672 32.065 > 24 95 S 0.16604668080896 0.22786705093198 0.57616781751672 32.065 > 24 96 S 0.16604668080896 0.72786705093198 0.57616781751672 32.065 > 24 97 S 0.66604668080896 0.02213294906802 0.07616781751672 32.065 > 25 98 S 0.66604668080896 0.52213294906802 0.07616781751672 32.065 > 25 99 S 0.66604668080896 0.02213294906802 0.57616781751672 32.065 > 25 100 S 0.66604668080896 0.52213294906802 0.57616781751672 32.065 > 25 101 S 0.11252897158682 0.13002916764149 0.33287941119267 32.065 > 26 102 S 0.11252897158682 0.63002916764149 0.33287941119267 32.065 > 26 103 S 0.11252897158682 0.13002916764149 0.83287941119267 32.065 > 26 104 S 0.11252897158682 0.63002916764149 0.83287941119267 32.065 > 26 105 S 0.93380038311466 0.13449751601739 0.04424439813499 32.065 > 27 106 S 0.93380038311466 0.63449751601739 0.04424439813499 32.065 > 27 107 S 0.93380038311466 0.13449751601739 0.54424439813499 32.065 > 27 108 S 0.93380038311466 0.63449751601739 0.54424439813499 32.065 > 27 109 S 0.32508034893123 0.25575342799305 0.30772476263904 32.065 > 28 110 S 0.32508034893123 0.75575342799305 0.30772476263904 32.065 > 28 111 S 0.32508034893123 0.25575342799305 0.80772476263904 32.065 > 28 112 S 0.32508034893123 0.75575342799305 0.80772476263904 32.065 > 28 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 6.7593853 0.0000000 0.0000000 0.0000000 7.3382981 0.0000000 0.0000000 0.0000000 7.0671884 -------------------------- Born effective charges -------------------------- 1 Zn 2.2617602 -0.2503827 0.1908576 0.2377004 1.8131579 0.2520469 -0.2895555 -0.2559512 2.1725948 2 Zn 2.2617602 -0.2503827 -0.1908576 0.2377004 1.8131579 -0.2520469 0.2895555 0.2559512 2.1725948 3 Zn 2.2617602 0.2503827 0.1908576 -0.2377004 1.8131579 -0.2520469 -0.2895555 0.2559512 2.1725948 4 Zn 2.2617602 0.2503827 -0.1908576 -0.2377004 1.8131579 0.2520469 0.2895555 -0.2559512 2.1725948 5 Ag 0.6886899 0.0526660 0.0129534 0.0492984 1.0419742 -0.0137838 0.1095018 0.0637952 0.8829223 6 Ag 0.6886899 -0.0526660 -0.0129534 -0.0492984 1.0419742 -0.0137838 -0.1095018 0.0637952 0.8829223 7 Ag 0.6886899 0.0526660 -0.0129534 0.0492984 1.0419742 0.0137838 -0.1095018 -0.0637952 0.8829223 8 Ag 0.6886899 -0.0526660 0.0129534 -0.0492984 1.0419742 0.0137838 0.1095018 -0.0637952 0.8829223 9 P 2.4487247 -0.1357112 -0.0073720 -0.0176271 3.1730839 0.4192245 0.4736481 -0.5956706 3.0751751 10 P 2.4487247 0.1357112 0.0073720 0.0176271 3.1730839 0.4192245 -0.4736481 -0.5956706 3.0751751 11 P 2.4487247 0.1357112 -0.0073720 0.0176271 3.1730839 -0.4192245 0.4736481 0.5956706 3.0751751 12 P 2.4487247 -0.1357112 0.0073720 -0.0176271 3.1730839 -0.4192245 -0.4736481 0.5956706 3.0751751 13 S -0.6179201 -0.0136175 0.2248502 0.3346399 -1.9605607 -0.5733903 0.1005015 -0.5260218 -1.7551092 14 S -0.6179201 0.0136175 -0.2248502 -0.3346399 -1.9605607 -0.5733903 -0.1005015 -0.5260218 -1.7551092 15 S -1.0371196 0.1201909 -0.0987337 0.1872157 -1.0210751 0.4474405 -0.3595696 0.2213374 -2.2543755 16 S -1.0371196 -0.1201909 -0.0987337 -0.1872157 -1.0210751 -0.4474405 -0.3595696 -0.2213374 -2.2543755 17 S -1.6083035 -0.6020397 0.0291438 -0.7484066 -2.0653502 0.3814874 -0.0204271 0.1431350 -1.0617726 18 S -1.6083035 0.6020397 0.0291438 0.7484066 -2.0653502 -0.3814874 -0.0204271 -0.1431350 -1.0617726 19 S -2.1358316 0.3401796 -0.2210974 0.3127423 -0.9812300 -0.1079449 -0.2989332 -0.1042547 -1.0594348 20 S -0.6179201 -0.0136175 -0.2248502 0.3346399 -1.9605607 0.5733903 -0.1005015 0.5260218 -1.7551092 21 S -2.1358316 -0.3401796 -0.2210974 -0.3127423 -0.9812300 0.1079449 -0.2989332 0.1042547 -1.0594348 22 S -1.0371196 -0.1201909 0.0987337 -0.1872157 -1.0210751 0.4474405 0.3595696 0.2213374 -2.2543755 23 S -2.1358316 0.3401796 0.2210974 0.3127423 -0.9812300 0.1079449 0.2989332 0.1042547 -1.0594348 24 S -1.6083035 -0.6020397 -0.0291438 -0.7484066 -2.0653502 -0.3814874 0.0204271 -0.1431350 -1.0617726 25 S -1.6083035 0.6020397 -0.0291438 0.7484066 -2.0653502 0.3814874 0.0204271 0.1431350 -1.0617726 26 S -1.0371196 0.1201909 0.0987337 0.1872157 -1.0210751 -0.4474405 0.3595696 -0.2213374 -2.2543755 27 S -2.1358316 -0.3401796 0.2210974 -0.3127423 -0.9812300 -0.1079449 0.2989332 -0.1042547 -1.0594348 28 S -0.6179201 0.0136175 0.2248502 -0.3346399 -1.9605607 0.5733903 0.1005015 0.5260218 -1.7551092 ---------------------------------------------------------------------------- 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: 336/336 Permutation basis: 14448/14448 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 3612 Number of blocks in projector: 3612 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: 784 Use submatrix version of eigh solver. (1) Block: 500 / 784 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 784 / 784 (1) 272 eigenvectors found. (1) Complementary block size: 26 (1) Compute compressed projector. (1) Use standard solver. (1) 12 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 784 Use submatrix version of eigh solver. (1) Block: 500 / 784 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 237 eigenvectors found. (2) Complementary block size: 27 (2) Compute compressed projector. (2) Use standard solver. (2) 13 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 784 / 784 (1) 272 eigenvectors found. (1) Complementary block size: 26 (1) Compute compressed projector. (1) Use standard solver. (1) 12 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 784 Use submatrix version of eigh solver. (1) Block: 500 / 784 (2) Block: 250 / 500 (2) 237 eigenvectors found. (2) Block: 500 / 500 (2) 239 eigenvectors found. (2) Complementary block size: 24 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 487 eigenvectors found. (1) Block: 784 / 784 (1) 270 eigenvectors found. (1) Complementary block size: 27 (1) Compute compressed projector. (1) Use standard solver. (1) 13 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 420 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 420 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 420 Use standard eigh solver. Tree of FC basis block matrices: - (3612, 3549), data: False |-- (420, 413), data: True |-- (420, 413), data: True |-- (420, 413), data: True |-- (784, 770), data: False |-- (784, 13), data: (784, 27) @ (27, 13) |-- (284, 270), data: True |-- (500, 487), data: False |-- (500, 11), data: (500, 24) @ (24, 11) |-- (250, 239), data: True |-- (250, 237), data: True |-- (784, 770), data: False |-- (784, 12), data: (784, 26) @ (26, 12) |-- (284, 272), data: True |-- (500, 486), data: False |-- (500, 13), data: (500, 27) @ (27, 13) |-- (250, 237), data: True |-- (250, 236), data: True |-- (784, 770), data: False |-- (784, 12), data: (784, 26) @ (26, 12) |-- (284, 272), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), data: True ----- Solver_atoms: 1 -- 112 / 112 Time (Solver_compr_matrix_reshape): 0.003 Solver_block: 100 / 880 - Time: 1.030 Solver_block: 200 / 880 - Time: 0.877 Solver_block: 300 / 880 - Time: 0.863 Solver_block: 400 / 880 - Time: 0.873 Solver_block: 500 / 880 - Time: 0.862 Solver_block: 600 / 880 - Time: 0.872 Solver_block: 700 / 880 - Time: 0.879 Solver_block: 800 / 880 - Time: 0.875 Solver_block: 880 / 880 - Time: 0.717 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 8.018 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (xx) -0.00000000 (xx) Permutation basis: 336/336 Permutation basis: 14448/14448 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 3612 Number of blocks in projector: 3612 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: 784 Use submatrix version of eigh solver. (1) Block: 500 / 784 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 784 / 784 (1) 272 eigenvectors found. (1) Complementary block size: 26 (1) Compute compressed projector. (1) Use standard solver. (1) 12 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 784 Use submatrix version of eigh solver. (1) Block: 500 / 784 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 237 eigenvectors found. (2) Complementary block size: 27 (2) Compute compressed projector. (2) Use standard solver. (2) 13 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 784 / 784 (1) 272 eigenvectors found. (1) Complementary block size: 26 (1) Compute compressed projector. (1) Use standard solver. (1) 12 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 784 Use submatrix version of eigh solver. (1) Block: 500 / 784 (2) Block: 250 / 500 (2) 237 eigenvectors found. (2) Block: 500 / 500 (2) 239 eigenvectors found. (2) Complementary block size: 24 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 487 eigenvectors found. (1) Block: 784 / 784 (1) 270 eigenvectors found. (1) Complementary block size: 27 (1) Compute compressed projector. (1) Use standard solver. (1) 13 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 420 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 420 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 420 Use standard eigh solver. Tree of FC basis block matrices: - (3612, 3549), data: False |-- (420, 413), data: True |-- (420, 413), data: True |-- (420, 413), data: True |-- (784, 770), data: False |-- (784, 13), data: (784, 27) @ (27, 13) |-- (284, 270), data: True |-- (500, 487), data: False |-- (500, 11), data: (500, 24) @ (24, 11) |-- (250, 239), data: True |-- (250, 237), data: True |-- (784, 770), data: False |-- (784, 12), data: (784, 26) @ (26, 12) |-- (284, 272), data: True |-- (500, 486), data: False |-- (500, 13), data: (500, 27) @ (27, 13) |-- (250, 237), data: True |-- (250, 236), data: True |-- (784, 770), data: False |-- (784, 12), data: (784, 26) @ (26, 12) |-- (284, 272), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), data: True Max drift after symmetrization by symfc projector: -0.00000000 (xx) -0.00000000 (xx) 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 14:28:04]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 14:28:05]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [1 2 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pna2_1 (33) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 12.406579989999997 0.000000000000000 0.000000000000000 b 0.000000000000000 7.432928889999999 0.000000000000000 c 0.000000000000000 0.000000000000000 6.033796330000000 Atomic positions (fractional): 1 Zn 0.66041888936458 0.50940528664225 0.50222875338514 65.380 2 Zn 0.33958111063542 0.49059471335775 0.00222875338514 65.380 3 Zn 0.16041888936458 0.99059471335775 0.50222875338514 65.380 4 Zn 0.83958111063542 0.00940528664225 0.00222875338514 65.380 5 Ag 0.42664468004725 0.23070111592626 0.49932223877210 107.868 6 Ag 0.07335531995275 0.73070111592626 0.99932223877210 107.868 7 Ag 0.57335531995275 0.76929888407374 0.99932223877210 107.868 8 Ag 0.92664468004725 0.26929888407374 0.49932223877210 107.868 9 P 0.40597092601704 0.73619350096380 0.50571550887592 30.974 10 P 0.09402907398296 0.23619350096380 0.00571550887592 30.974 11 P 0.90597092601704 0.76380649903620 0.50571550887592 30.974 12 P 0.59402907398296 0.26380649903620 0.00571550887592 30.974 13 S 0.82508034893123 0.98849314401389 0.61544952527807 32.065 14 S 0.67491965106877 0.48849314401389 0.11544952527807 32.065 15 S 0.88747102841318 0.73994166471701 0.16575882238535 32.065 16 S 0.38747102841318 0.76005833528299 0.16575882238535 32.065 17 S 0.83395331919104 0.54426589813604 0.65233563503344 32.065 18 S 0.33395331919104 0.95573410186396 0.65233563503344 32.065 19 S 0.56619961688534 0.76899503203478 0.58848879626998 32.065 20 S 0.17491965106877 0.01150685598611 0.11544952527807 32.065 21 S 0.06619961688534 0.73100496796522 0.58848879626998 32.065 22 S 0.61252897158682 0.23994166471701 0.66575882238535 32.065 23 S 0.43380038311466 0.23100496796522 0.08848879626998 32.065 24 S 0.16604668080896 0.45573410186396 0.15233563503344 32.065 25 S 0.66604668080896 0.04426589813604 0.15233563503344 32.065 26 S 0.11252897158682 0.26005833528299 0.66575882238535 32.065 27 S 0.93380038311466 0.26899503203478 0.08848879626998 32.065 28 S 0.32508034893123 0.51150685598611 0.61544952527807 32.065 -------------------------------- supercell --------------------------------- Lattice vectors: a 12.406579989999997 0.000000000000000 0.000000000000000 b 0.000000000000000 14.865857779999997 0.000000000000000 c 0.000000000000000 0.000000000000000 12.067592660000001 Atomic positions (fractional): 1 Zn 0.66041888936458 0.25470264332113 0.25111437669257 65.380 > 1 2 Zn 0.66041888936458 0.75470264332113 0.25111437669257 65.380 > 1 3 Zn 0.66041888936458 0.25470264332113 0.75111437669257 65.380 > 1 4 Zn 0.66041888936458 0.75470264332113 0.75111437669257 65.380 > 1 5 Zn 0.33958111063542 0.24529735667887 0.00111437669257 65.380 > 5 6 Zn 0.33958111063542 0.74529735667887 0.00111437669257 65.380 > 5 7 Zn 0.33958111063542 0.24529735667887 0.50111437669257 65.380 > 5 8 Zn 0.33958111063542 0.74529735667887 0.50111437669257 65.380 > 5 9 Zn 0.16041888936458 0.49529735667887 0.25111437669257 65.380 > 9 10 Zn 0.16041888936458 0.99529735667887 0.25111437669257 65.380 > 9 11 Zn 0.16041888936458 0.49529735667887 0.75111437669257 65.380 > 9 12 Zn 0.16041888936458 0.99529735667887 0.75111437669257 65.380 > 9 13 Zn 0.83958111063542 0.00470264332113 0.00111437669257 65.380 > 13 14 Zn 0.83958111063542 0.50470264332113 0.00111437669257 65.380 > 13 15 Zn 0.83958111063542 0.00470264332113 0.50111437669257 65.380 > 13 16 Zn 0.83958111063542 0.50470264332113 0.50111437669257 65.380 > 13 17 Ag 0.42664468004725 0.11535055796313 0.24966111938605 107.868 > 17 18 Ag 0.42664468004725 0.61535055796313 0.24966111938605 107.868 > 17 19 Ag 0.42664468004725 0.11535055796313 0.74966111938605 107.868 > 17 20 Ag 0.42664468004725 0.61535055796313 0.74966111938605 107.868 > 17 21 Ag 0.07335531995275 0.36535055796313 0.49966111938605 107.868 > 21 22 Ag 0.07335531995275 0.86535055796313 0.49966111938605 107.868 > 21 23 Ag 0.07335531995275 0.36535055796313 0.99966111938605 107.868 > 21 24 Ag 0.07335531995275 0.86535055796313 0.99966111938605 107.868 > 21 25 Ag 0.57335531995275 0.38464944203687 0.49966111938605 107.868 > 25 26 Ag 0.57335531995275 0.88464944203687 0.49966111938605 107.868 > 25 27 Ag 0.57335531995275 0.38464944203687 0.99966111938605 107.868 > 25 28 Ag 0.57335531995275 0.88464944203687 0.99966111938605 107.868 > 25 29 Ag 0.92664468004725 0.13464944203687 0.24966111938605 107.868 > 29 30 Ag 0.92664468004725 0.63464944203687 0.24966111938605 107.868 > 29 31 Ag 0.92664468004725 0.13464944203687 0.74966111938605 107.868 > 29 32 Ag 0.92664468004725 0.63464944203687 0.74966111938605 107.868 > 29 33 P 0.40597092601704 0.36809675048190 0.25285775443796 30.974 > 33 34 P 0.40597092601704 0.86809675048190 0.25285775443796 30.974 > 33 35 P 0.40597092601704 0.36809675048190 0.75285775443796 30.974 > 33 36 P 0.40597092601704 0.86809675048190 0.75285775443796 30.974 > 33 37 P 0.09402907398296 0.11809675048190 0.00285775443796 30.974 > 37 38 P 0.09402907398296 0.61809675048190 0.00285775443796 30.974 > 37 39 P 0.09402907398296 0.11809675048190 0.50285775443796 30.974 > 37 40 P 0.09402907398296 0.61809675048190 0.50285775443796 30.974 > 37 41 P 0.90597092601704 0.38190324951810 0.25285775443796 30.974 > 41 42 P 0.90597092601704 0.88190324951810 0.25285775443796 30.974 > 41 43 P 0.90597092601704 0.38190324951810 0.75285775443796 30.974 > 41 44 P 0.90597092601704 0.88190324951810 0.75285775443796 30.974 > 41 45 P 0.59402907398296 0.13190324951810 0.00285775443796 30.974 > 45 46 P 0.59402907398296 0.63190324951810 0.00285775443796 30.974 > 45 47 P 0.59402907398296 0.13190324951810 0.50285775443796 30.974 > 45 48 P 0.59402907398296 0.63190324951810 0.50285775443796 30.974 > 45 49 S 0.82508034893123 0.49424657200695 0.30772476263904 32.065 > 49 50 S 0.82508034893123 0.99424657200695 0.30772476263904 32.065 > 49 51 S 0.82508034893123 0.49424657200695 0.80772476263904 32.065 > 49 52 S 0.82508034893123 0.99424657200695 0.80772476263904 32.065 > 49 53 S 0.67491965106877 0.24424657200695 0.05772476263904 32.065 > 53 54 S 0.67491965106877 0.74424657200695 0.05772476263904 32.065 > 53 55 S 0.67491965106877 0.24424657200695 0.55772476263904 32.065 > 53 56 S 0.67491965106877 0.74424657200695 0.55772476263904 32.065 > 53 57 S 0.88747102841318 0.36997083235851 0.08287941119267 32.065 > 57 58 S 0.88747102841318 0.86997083235851 0.08287941119267 32.065 > 57 59 S 0.88747102841318 0.36997083235851 0.58287941119267 32.065 > 57 60 S 0.88747102841318 0.86997083235851 0.58287941119267 32.065 > 57 61 S 0.38747102841318 0.38002916764149 0.08287941119267 32.065 > 61 62 S 0.38747102841318 0.88002916764149 0.08287941119267 32.065 > 61 63 S 0.38747102841318 0.38002916764149 0.58287941119267 32.065 > 61 64 S 0.38747102841318 0.88002916764149 0.58287941119267 32.065 > 61 65 S 0.83395331919104 0.27213294906802 0.32616781751672 32.065 > 65 66 S 0.83395331919104 0.77213294906802 0.32616781751672 32.065 > 65 67 S 0.83395331919104 0.27213294906802 0.82616781751672 32.065 > 65 68 S 0.83395331919104 0.77213294906802 0.82616781751672 32.065 > 65 69 S 0.33395331919104 0.47786705093198 0.32616781751672 32.065 > 69 70 S 0.33395331919104 0.97786705093198 0.32616781751672 32.065 > 69 71 S 0.33395331919104 0.47786705093198 0.82616781751672 32.065 > 69 72 S 0.33395331919104 0.97786705093198 0.82616781751672 32.065 > 69 73 S 0.56619961688534 0.38449751601739 0.29424439813499 32.065 > 73 74 S 0.56619961688534 0.88449751601739 0.29424439813499 32.065 > 73 75 S 0.56619961688534 0.38449751601739 0.79424439813499 32.065 > 73 76 S 0.56619961688534 0.88449751601739 0.79424439813499 32.065 > 73 77 S 0.17491965106877 0.00575342799305 0.05772476263904 32.065 > 77 78 S 0.17491965106877 0.50575342799305 0.05772476263904 32.065 > 77 79 S 0.17491965106877 0.00575342799305 0.55772476263904 32.065 > 77 80 S 0.17491965106877 0.50575342799305 0.55772476263904 32.065 > 77 81 S 0.06619961688534 0.36550248398261 0.29424439813499 32.065 > 81 82 S 0.06619961688534 0.86550248398261 0.29424439813499 32.065 > 81 83 S 0.06619961688534 0.36550248398261 0.79424439813499 32.065 > 81 84 S 0.06619961688534 0.86550248398261 0.79424439813499 32.065 > 81 85 S 0.61252897158682 0.11997083235851 0.33287941119267 32.065 > 85 86 S 0.61252897158682 0.61997083235851 0.33287941119267 32.065 > 85 87 S 0.61252897158682 0.11997083235851 0.83287941119267 32.065 > 85 88 S 0.61252897158682 0.61997083235851 0.83287941119267 32.065 > 85 89 S 0.43380038311466 0.11550248398261 0.04424439813499 32.065 > 89 90 S 0.43380038311466 0.61550248398261 0.04424439813499 32.065 > 89 91 S 0.43380038311466 0.11550248398261 0.54424439813499 32.065 > 89 92 S 0.43380038311466 0.61550248398261 0.54424439813499 32.065 > 89 93 S 0.16604668080896 0.22786705093198 0.07616781751672 32.065 > 93 94 S 0.16604668080896 0.72786705093198 0.07616781751672 32.065 > 93 95 S 0.16604668080896 0.22786705093198 0.57616781751672 32.065 > 93 96 S 0.16604668080896 0.72786705093198 0.57616781751672 32.065 > 93 97 S 0.66604668080896 0.02213294906802 0.07616781751672 32.065 > 97 98 S 0.66604668080896 0.52213294906802 0.07616781751672 32.065 > 97 99 S 0.66604668080896 0.02213294906802 0.57616781751672 32.065 > 97 100 S 0.66604668080896 0.52213294906802 0.57616781751672 32.065 > 97 101 S 0.11252897158682 0.13002916764149 0.33287941119267 32.065 > 101 102 S 0.11252897158682 0.63002916764149 0.33287941119267 32.065 > 101 103 S 0.11252897158682 0.13002916764149 0.83287941119267 32.065 > 101 104 S 0.11252897158682 0.63002916764149 0.83287941119267 32.065 > 101 105 S 0.93380038311466 0.13449751601739 0.04424439813499 32.065 > 105 106 S 0.93380038311466 0.63449751601739 0.04424439813499 32.065 > 105 107 S 0.93380038311466 0.13449751601739 0.54424439813499 32.065 > 105 108 S 0.93380038311466 0.63449751601739 0.54424439813499 32.065 > 105 109 S 0.32508034893123 0.25575342799305 0.30772476263904 32.065 > 109 110 S 0.32508034893123 0.75575342799305 0.30772476263904 32.065 > 109 111 S 0.32508034893123 0.25575342799305 0.80772476263904 32.065 > 109 112 S 0.32508034893123 0.75575342799305 0.80772476263904 32.065 > 109 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 6.7593853 0.0000000 0.0000000 0.0000000 7.3382981 0.0000000 0.0000000 0.0000000 7.0671884 -------------------------- Born effective charges -------------------------- 1 Zn 2.2617602 -0.2503827 0.1908576 0.2377004 1.8131579 0.2520469 -0.2895555 -0.2559512 2.1725948 2 Zn 2.2617602 -0.2503827 -0.1908576 0.2377004 1.8131579 -0.2520469 0.2895555 0.2559512 2.1725948 3 Zn 2.2617602 0.2503827 0.1908576 -0.2377004 1.8131579 -0.2520469 -0.2895555 0.2559512 2.1725948 4 Zn 2.2617602 0.2503827 -0.1908576 -0.2377004 1.8131579 0.2520469 0.2895555 -0.2559512 2.1725948 5 Ag 0.6886899 0.0526660 0.0129534 0.0492984 1.0419742 -0.0137838 0.1095018 0.0637952 0.8829223 6 Ag 0.6886899 -0.0526660 -0.0129534 -0.0492984 1.0419742 -0.0137838 -0.1095018 0.0637952 0.8829223 7 Ag 0.6886899 0.0526660 -0.0129534 0.0492984 1.0419742 0.0137838 -0.1095018 -0.0637952 0.8829223 8 Ag 0.6886899 -0.0526660 0.0129534 -0.0492984 1.0419742 0.0137838 0.1095018 -0.0637952 0.8829223 9 P 2.4487247 -0.1357112 -0.0073720 -0.0176271 3.1730839 0.4192245 0.4736481 -0.5956706 3.0751751 10 P 2.4487247 0.1357112 0.0073720 0.0176271 3.1730839 0.4192245 -0.4736481 -0.5956706 3.0751751 11 P 2.4487247 0.1357112 -0.0073720 0.0176271 3.1730839 -0.4192245 0.4736481 0.5956706 3.0751751 12 P 2.4487247 -0.1357112 0.0073720 -0.0176271 3.1730839 -0.4192245 -0.4736481 0.5956706 3.0751751 13 S -0.6179201 -0.0136175 0.2248502 0.3346399 -1.9605607 -0.5733903 0.1005015 -0.5260218 -1.7551092 14 S -0.6179201 0.0136175 -0.2248502 -0.3346399 -1.9605607 -0.5733903 -0.1005015 -0.5260218 -1.7551092 15 S -1.0371196 0.1201909 -0.0987337 0.1872157 -1.0210751 0.4474405 -0.3595696 0.2213374 -2.2543755 16 S -1.0371196 -0.1201909 -0.0987337 -0.1872157 -1.0210751 -0.4474405 -0.3595696 -0.2213374 -2.2543755 17 S -1.6083035 -0.6020397 0.0291438 -0.7484066 -2.0653502 0.3814874 -0.0204271 0.1431350 -1.0617726 18 S -1.6083035 0.6020397 0.0291438 0.7484066 -2.0653502 -0.3814874 -0.0204271 -0.1431350 -1.0617726 19 S -2.1358316 0.3401796 -0.2210974 0.3127423 -0.9812300 -0.1079449 -0.2989332 -0.1042547 -1.0594348 20 S -0.6179201 -0.0136175 -0.2248502 0.3346399 -1.9605607 0.5733903 -0.1005015 0.5260218 -1.7551092 21 S -2.1358316 -0.3401796 -0.2210974 -0.3127423 -0.9812300 0.1079449 -0.2989332 0.1042547 -1.0594348 22 S -1.0371196 -0.1201909 0.0987337 -0.1872157 -1.0210751 0.4474405 0.3595696 0.2213374 -2.2543755 23 S -2.1358316 0.3401796 0.2210974 0.3127423 -0.9812300 0.1079449 0.2989332 0.1042547 -1.0594348 24 S -1.6083035 -0.6020397 -0.0291438 -0.7484066 -2.0653502 -0.3814874 0.0204271 -0.1431350 -1.0617726 25 S -1.6083035 0.6020397 -0.0291438 0.7484066 -2.0653502 0.3814874 0.0204271 0.1431350 -1.0617726 26 S -1.0371196 0.1201909 0.0987337 0.1872157 -1.0210751 -0.4474405 0.3595696 -0.2213374 -2.2543755 27 S -2.1358316 -0.3401796 0.2210974 -0.3127423 -0.9812300 -0.1079449 0.2989332 -0.1042547 -1.0594348 28 S -0.6179201 0.0136175 0.2248502 -0.3346399 -1.9605607 0.5733903 0.1005015 0.5260218 -1.7551092 ---------------------------------------------------------------------------- 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[ 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[ 33, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 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 (zzz) 0.00000001 (zzz) 0.00000001 (zzz) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000000 (zy) 0.00000000 (zy) 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 14:28:37]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 14:28:38]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [1 2 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pna2_1 (33) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 12.406579989999997 0.000000000000000 0.000000000000000 b 0.000000000000000 7.432928889999999 0.000000000000000 c 0.000000000000000 0.000000000000000 6.033796330000000 Atomic positions (fractional): 1 Zn 0.66041888936458 0.50940528664225 0.50222875338514 65.380 2 Zn 0.33958111063542 0.49059471335775 0.00222875338514 65.380 3 Zn 0.16041888936458 0.99059471335775 0.50222875338514 65.380 4 Zn 0.83958111063542 0.00940528664225 0.00222875338514 65.380 5 Ag 0.42664468004725 0.23070111592626 0.49932223877210 107.868 6 Ag 0.07335531995275 0.73070111592626 0.99932223877210 107.868 7 Ag 0.57335531995275 0.76929888407374 0.99932223877210 107.868 8 Ag 0.92664468004725 0.26929888407374 0.49932223877210 107.868 9 P 0.40597092601704 0.73619350096380 0.50571550887592 30.974 10 P 0.09402907398296 0.23619350096380 0.00571550887592 30.974 11 P 0.90597092601704 0.76380649903620 0.50571550887592 30.974 12 P 0.59402907398296 0.26380649903620 0.00571550887592 30.974 13 S 0.82508034893123 0.98849314401389 0.61544952527807 32.065 14 S 0.67491965106877 0.48849314401389 0.11544952527807 32.065 15 S 0.88747102841318 0.73994166471701 0.16575882238535 32.065 16 S 0.38747102841318 0.76005833528299 0.16575882238535 32.065 17 S 0.83395331919104 0.54426589813604 0.65233563503344 32.065 18 S 0.33395331919104 0.95573410186396 0.65233563503344 32.065 19 S 0.56619961688534 0.76899503203478 0.58848879626998 32.065 20 S 0.17491965106877 0.01150685598611 0.11544952527807 32.065 21 S 0.06619961688534 0.73100496796522 0.58848879626998 32.065 22 S 0.61252897158682 0.23994166471701 0.66575882238535 32.065 23 S 0.43380038311466 0.23100496796522 0.08848879626998 32.065 24 S 0.16604668080896 0.45573410186396 0.15233563503344 32.065 25 S 0.66604668080896 0.04426589813604 0.15233563503344 32.065 26 S 0.11252897158682 0.26005833528299 0.66575882238535 32.065 27 S 0.93380038311466 0.26899503203478 0.08848879626998 32.065 28 S 0.32508034893123 0.51150685598611 0.61544952527807 32.065 -------------------------------- supercell --------------------------------- Lattice vectors: a 12.406579989999997 0.000000000000000 0.000000000000000 b 0.000000000000000 14.865857779999997 0.000000000000000 c 0.000000000000000 0.000000000000000 12.067592660000001 Atomic positions (fractional): 1 Zn 0.66041888936458 0.25470264332113 0.25111437669257 65.380 > 1 2 Zn 0.66041888936458 0.75470264332113 0.25111437669257 65.380 > 1 3 Zn 0.66041888936458 0.25470264332113 0.75111437669257 65.380 > 1 4 Zn 0.66041888936458 0.75470264332113 0.75111437669257 65.380 > 1 5 Zn 0.33958111063542 0.24529735667887 0.00111437669257 65.380 > 5 6 Zn 0.33958111063542 0.74529735667887 0.00111437669257 65.380 > 5 7 Zn 0.33958111063542 0.24529735667887 0.50111437669257 65.380 > 5 8 Zn 0.33958111063542 0.74529735667887 0.50111437669257 65.380 > 5 9 Zn 0.16041888936458 0.49529735667887 0.25111437669257 65.380 > 9 10 Zn 0.16041888936458 0.99529735667887 0.25111437669257 65.380 > 9 11 Zn 0.16041888936458 0.49529735667887 0.75111437669257 65.380 > 9 12 Zn 0.16041888936458 0.99529735667887 0.75111437669257 65.380 > 9 13 Zn 0.83958111063542 0.00470264332113 0.00111437669257 65.380 > 13 14 Zn 0.83958111063542 0.50470264332113 0.00111437669257 65.380 > 13 15 Zn 0.83958111063542 0.00470264332113 0.50111437669257 65.380 > 13 16 Zn 0.83958111063542 0.50470264332113 0.50111437669257 65.380 > 13 17 Ag 0.42664468004725 0.11535055796313 0.24966111938605 107.868 > 17 18 Ag 0.42664468004725 0.61535055796313 0.24966111938605 107.868 > 17 19 Ag 0.42664468004725 0.11535055796313 0.74966111938605 107.868 > 17 20 Ag 0.42664468004725 0.61535055796313 0.74966111938605 107.868 > 17 21 Ag 0.07335531995275 0.36535055796313 0.49966111938605 107.868 > 21 22 Ag 0.07335531995275 0.86535055796313 0.49966111938605 107.868 > 21 23 Ag 0.07335531995275 0.36535055796313 0.99966111938605 107.868 > 21 24 Ag 0.07335531995275 0.86535055796313 0.99966111938605 107.868 > 21 25 Ag 0.57335531995275 0.38464944203687 0.49966111938605 107.868 > 25 26 Ag 0.57335531995275 0.88464944203687 0.49966111938605 107.868 > 25 27 Ag 0.57335531995275 0.38464944203687 0.99966111938605 107.868 > 25 28 Ag 0.57335531995275 0.88464944203687 0.99966111938605 107.868 > 25 29 Ag 0.92664468004725 0.13464944203687 0.24966111938605 107.868 > 29 30 Ag 0.92664468004725 0.63464944203687 0.24966111938605 107.868 > 29 31 Ag 0.92664468004725 0.13464944203687 0.74966111938605 107.868 > 29 32 Ag 0.92664468004725 0.63464944203687 0.74966111938605 107.868 > 29 33 P 0.40597092601704 0.36809675048190 0.25285775443796 30.974 > 33 34 P 0.40597092601704 0.86809675048190 0.25285775443796 30.974 > 33 35 P 0.40597092601704 0.36809675048190 0.75285775443796 30.974 > 33 36 P 0.40597092601704 0.86809675048190 0.75285775443796 30.974 > 33 37 P 0.09402907398296 0.11809675048190 0.00285775443796 30.974 > 37 38 P 0.09402907398296 0.61809675048190 0.00285775443796 30.974 > 37 39 P 0.09402907398296 0.11809675048190 0.50285775443796 30.974 > 37 40 P 0.09402907398296 0.61809675048190 0.50285775443796 30.974 > 37 41 P 0.90597092601704 0.38190324951810 0.25285775443796 30.974 > 41 42 P 0.90597092601704 0.88190324951810 0.25285775443796 30.974 > 41 43 P 0.90597092601704 0.38190324951810 0.75285775443796 30.974 > 41 44 P 0.90597092601704 0.88190324951810 0.75285775443796 30.974 > 41 45 P 0.59402907398296 0.13190324951810 0.00285775443796 30.974 > 45 46 P 0.59402907398296 0.63190324951810 0.00285775443796 30.974 > 45 47 P 0.59402907398296 0.13190324951810 0.50285775443796 30.974 > 45 48 P 0.59402907398296 0.63190324951810 0.50285775443796 30.974 > 45 49 S 0.82508034893123 0.49424657200695 0.30772476263904 32.065 > 49 50 S 0.82508034893123 0.99424657200695 0.30772476263904 32.065 > 49 51 S 0.82508034893123 0.49424657200695 0.80772476263904 32.065 > 49 52 S 0.82508034893123 0.99424657200695 0.80772476263904 32.065 > 49 53 S 0.67491965106877 0.24424657200695 0.05772476263904 32.065 > 53 54 S 0.67491965106877 0.74424657200695 0.05772476263904 32.065 > 53 55 S 0.67491965106877 0.24424657200695 0.55772476263904 32.065 > 53 56 S 0.67491965106877 0.74424657200695 0.55772476263904 32.065 > 53 57 S 0.88747102841318 0.36997083235851 0.08287941119267 32.065 > 57 58 S 0.88747102841318 0.86997083235851 0.08287941119267 32.065 > 57 59 S 0.88747102841318 0.36997083235851 0.58287941119267 32.065 > 57 60 S 0.88747102841318 0.86997083235851 0.58287941119267 32.065 > 57 61 S 0.38747102841318 0.38002916764149 0.08287941119267 32.065 > 61 62 S 0.38747102841318 0.88002916764149 0.08287941119267 32.065 > 61 63 S 0.38747102841318 0.38002916764149 0.58287941119267 32.065 > 61 64 S 0.38747102841318 0.88002916764149 0.58287941119267 32.065 > 61 65 S 0.83395331919104 0.27213294906802 0.32616781751672 32.065 > 65 66 S 0.83395331919104 0.77213294906802 0.32616781751672 32.065 > 65 67 S 0.83395331919104 0.27213294906802 0.82616781751672 32.065 > 65 68 S 0.83395331919104 0.77213294906802 0.82616781751672 32.065 > 65 69 S 0.33395331919104 0.47786705093198 0.32616781751672 32.065 > 69 70 S 0.33395331919104 0.97786705093198 0.32616781751672 32.065 > 69 71 S 0.33395331919104 0.47786705093198 0.82616781751672 32.065 > 69 72 S 0.33395331919104 0.97786705093198 0.82616781751672 32.065 > 69 73 S 0.56619961688534 0.38449751601739 0.29424439813499 32.065 > 73 74 S 0.56619961688534 0.88449751601739 0.29424439813499 32.065 > 73 75 S 0.56619961688534 0.38449751601739 0.79424439813499 32.065 > 73 76 S 0.56619961688534 0.88449751601739 0.79424439813499 32.065 > 73 77 S 0.17491965106877 0.00575342799305 0.05772476263904 32.065 > 77 78 S 0.17491965106877 0.50575342799305 0.05772476263904 32.065 > 77 79 S 0.17491965106877 0.00575342799305 0.55772476263904 32.065 > 77 80 S 0.17491965106877 0.50575342799305 0.55772476263904 32.065 > 77 81 S 0.06619961688534 0.36550248398261 0.29424439813499 32.065 > 81 82 S 0.06619961688534 0.86550248398261 0.29424439813499 32.065 > 81 83 S 0.06619961688534 0.36550248398261 0.79424439813499 32.065 > 81 84 S 0.06619961688534 0.86550248398261 0.79424439813499 32.065 > 81 85 S 0.61252897158682 0.11997083235851 0.33287941119267 32.065 > 85 86 S 0.61252897158682 0.61997083235851 0.33287941119267 32.065 > 85 87 S 0.61252897158682 0.11997083235851 0.83287941119267 32.065 > 85 88 S 0.61252897158682 0.61997083235851 0.83287941119267 32.065 > 85 89 S 0.43380038311466 0.11550248398261 0.04424439813499 32.065 > 89 90 S 0.43380038311466 0.61550248398261 0.04424439813499 32.065 > 89 91 S 0.43380038311466 0.11550248398261 0.54424439813499 32.065 > 89 92 S 0.43380038311466 0.61550248398261 0.54424439813499 32.065 > 89 93 S 0.16604668080896 0.22786705093198 0.07616781751672 32.065 > 93 94 S 0.16604668080896 0.72786705093198 0.07616781751672 32.065 > 93 95 S 0.16604668080896 0.22786705093198 0.57616781751672 32.065 > 93 96 S 0.16604668080896 0.72786705093198 0.57616781751672 32.065 > 93 97 S 0.66604668080896 0.02213294906802 0.07616781751672 32.065 > 97 98 S 0.66604668080896 0.52213294906802 0.07616781751672 32.065 > 97 99 S 0.66604668080896 0.02213294906802 0.57616781751672 32.065 > 97 100 S 0.66604668080896 0.52213294906802 0.57616781751672 32.065 > 97 101 S 0.11252897158682 0.13002916764149 0.33287941119267 32.065 > 101 102 S 0.11252897158682 0.63002916764149 0.33287941119267 32.065 > 101 103 S 0.11252897158682 0.13002916764149 0.83287941119267 32.065 > 101 104 S 0.11252897158682 0.63002916764149 0.83287941119267 32.065 > 101 105 S 0.93380038311466 0.13449751601739 0.04424439813499 32.065 > 105 106 S 0.93380038311466 0.63449751601739 0.04424439813499 32.065 > 105 107 S 0.93380038311466 0.13449751601739 0.54424439813499 32.065 > 105 108 S 0.93380038311466 0.63449751601739 0.54424439813499 32.065 > 105 109 S 0.32508034893123 0.25575342799305 0.30772476263904 32.065 > 109 110 S 0.32508034893123 0.75575342799305 0.30772476263904 32.065 > 109 111 S 0.32508034893123 0.25575342799305 0.80772476263904 32.065 > 109 112 S 0.32508034893123 0.75575342799305 0.80772476263904 32.065 > 109 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 6.7593853 0.0000000 0.0000000 0.0000000 7.3382981 0.0000000 0.0000000 0.0000000 7.0671884 -------------------------- Born effective charges -------------------------- 1 Zn 2.2617602 -0.2503827 0.1908576 0.2377004 1.8131579 0.2520469 -0.2895555 -0.2559512 2.1725948 2 Zn 2.2617602 -0.2503827 -0.1908576 0.2377004 1.8131579 -0.2520469 0.2895555 0.2559512 2.1725948 3 Zn 2.2617602 0.2503827 0.1908576 -0.2377004 1.8131579 -0.2520469 -0.2895555 0.2559512 2.1725948 4 Zn 2.2617602 0.2503827 -0.1908576 -0.2377004 1.8131579 0.2520469 0.2895555 -0.2559512 2.1725948 5 Ag 0.6886899 0.0526660 0.0129534 0.0492984 1.0419742 -0.0137838 0.1095018 0.0637952 0.8829223 6 Ag 0.6886899 -0.0526660 -0.0129534 -0.0492984 1.0419742 -0.0137838 -0.1095018 0.0637952 0.8829223 7 Ag 0.6886899 0.0526660 -0.0129534 0.0492984 1.0419742 0.0137838 -0.1095018 -0.0637952 0.8829223 8 Ag 0.6886899 -0.0526660 0.0129534 -0.0492984 1.0419742 0.0137838 0.1095018 -0.0637952 0.8829223 9 P 2.4487247 -0.1357112 -0.0073720 -0.0176271 3.1730839 0.4192245 0.4736481 -0.5956706 3.0751751 10 P 2.4487247 0.1357112 0.0073720 0.0176271 3.1730839 0.4192245 -0.4736481 -0.5956706 3.0751751 11 P 2.4487247 0.1357112 -0.0073720 0.0176271 3.1730839 -0.4192245 0.4736481 0.5956706 3.0751751 12 P 2.4487247 -0.1357112 0.0073720 -0.0176271 3.1730839 -0.4192245 -0.4736481 0.5956706 3.0751751 13 S -0.6179201 -0.0136175 0.2248502 0.3346399 -1.9605607 -0.5733903 0.1005015 -0.5260218 -1.7551092 14 S -0.6179201 0.0136175 -0.2248502 -0.3346399 -1.9605607 -0.5733903 -0.1005015 -0.5260218 -1.7551092 15 S -1.0371196 0.1201909 -0.0987337 0.1872157 -1.0210751 0.4474405 -0.3595696 0.2213374 -2.2543755 16 S -1.0371196 -0.1201909 -0.0987337 -0.1872157 -1.0210751 -0.4474405 -0.3595696 -0.2213374 -2.2543755 17 S -1.6083035 -0.6020397 0.0291438 -0.7484066 -2.0653502 0.3814874 -0.0204271 0.1431350 -1.0617726 18 S -1.6083035 0.6020397 0.0291438 0.7484066 -2.0653502 -0.3814874 -0.0204271 -0.1431350 -1.0617726 19 S -2.1358316 0.3401796 -0.2210974 0.3127423 -0.9812300 -0.1079449 -0.2989332 -0.1042547 -1.0594348 20 S -0.6179201 -0.0136175 -0.2248502 0.3346399 -1.9605607 0.5733903 -0.1005015 0.5260218 -1.7551092 21 S -2.1358316 -0.3401796 -0.2210974 -0.3127423 -0.9812300 0.1079449 -0.2989332 0.1042547 -1.0594348 22 S -1.0371196 -0.1201909 0.0987337 -0.1872157 -1.0210751 0.4474405 0.3595696 0.2213374 -2.2543755 23 S -2.1358316 0.3401796 0.2210974 0.3127423 -0.9812300 0.1079449 0.2989332 0.1042547 -1.0594348 24 S -1.6083035 -0.6020397 -0.0291438 -0.7484066 -2.0653502 -0.3814874 0.0204271 -0.1431350 -1.0617726 25 S -1.6083035 0.6020397 -0.0291438 0.7484066 -2.0653502 0.3814874 0.0204271 0.1431350 -1.0617726 26 S -1.0371196 0.1201909 0.0987337 0.1872157 -1.0210751 -0.4474405 0.3595696 -0.2213374 -2.2543755 27 S -2.1358316 -0.3401796 0.2210974 -0.3127423 -0.9812300 -0.1079449 0.2989332 -0.1042547 -1.0594348 28 S -0.6179201 0.0136175 0.2248502 -0.3346399 -1.9605607 0.5733903 0.1005015 0.5260218 -1.7551092 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000001 (zzz) 0.00000001 (zzz) 0.00000001 (zzz) Max drift of fc2: -0.00000000 (xx) -0.00000000 (xx) --------------------------- 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 ... [ 4 7 8 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.50, Number of G-points: 293, Lambda: 0.14 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/60) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 5.98e-04 5.98e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 60 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 1.226 ( 0.000 0.000 -0.000) 0.000 1.277 ( 0.000 0.000 0.000) 0.000 1.297 ( 0.000 0.000 -0.000) 0.000 1.304 ( 0.000 0.000 0.000) 0.000 1.605 ( 0.000 0.000 0.000) 0.000 1.746 ( 0.000 0.000 0.000) 0.000 1.767 ( 0.000 0.000 0.000) 0.000 1.821 ( 0.000 0.000 -0.000) 0.000 1.970 ( 0.000 0.000 0.000) 0.000 1.992 ( 0.000 0.000 0.000) 0.000 2.025 ( 0.000 0.000 0.000) 0.000 2.123 ( 0.000 0.000 -0.000) 0.000 2.151 ( 0.000 0.000 -0.000) 0.000 2.293 ( 0.000 0.000 0.000) 0.000 2.319 ( 0.000 0.000 -0.000) 0.000 2.324 ( 0.000 0.000 0.000) 0.000 2.576 ( 0.000 0.000 0.000) 0.000 2.641 ( 0.000 0.000 0.000) 0.000 2.785 ( 0.000 0.000 -0.000) 0.000 3.164 ( 0.000 0.000 0.000) 0.000 3.387 ( 0.000 0.000 0.000) 0.000 3.662 ( 0.000 0.000 0.000) 0.000 3.813 ( 0.000 0.000 0.000) 0.000 3.954 ( 0.000 0.000 0.000) 0.000 3.960 ( 0.000 0.000 0.000) 0.000 4.604 ( 0.000 0.000 -0.000) 0.000 4.639 ( 0.000 0.000 0.000) 0.000 4.966 ( 0.000 0.000 -0.000) 0.000 4.976 ( 0.000 0.000 0.000) 0.000 4.985 ( 0.000 0.000 -0.000) 0.000 5.168 ( 0.000 0.000 0.000) 0.000 5.206 ( 0.000 0.000 0.000) 0.000 5.260 ( 0.000 0.000 -0.000) 0.000 5.447 ( 0.000 0.000 0.000) 0.000 5.563 ( 0.000 0.000 -0.000) 0.000 5.663 ( 0.000 0.000 0.000) 0.000 5.723 ( 0.000 0.000 -0.000) 0.000 6.584 ( 0.000 0.000 0.000) 0.000 6.611 ( 0.000 0.000 0.000) 0.000 6.718 ( 0.000 0.000 0.000) 0.000 6.728 ( 0.000 0.000 -0.000) 0.000 6.809 ( 0.000 0.000 0.000) 0.000 6.882 ( 0.000 0.000 0.000) 0.000 6.968 ( 0.000 0.000 0.000) 0.000 6.995 ( 0.000 0.000 -0.000) 0.000 7.255 ( 0.000 0.000 -0.000) 0.000 7.330 ( 0.000 0.000 0.000) 0.000 7.428 ( 0.000 0.000 0.000) 0.000 7.492 ( 0.000 0.000 0.000) 0.000 8.124 ( 0.000 0.000 -0.000) 0.000 8.180 ( 0.000 0.000 0.000) 0.000 8.194 ( 0.000 0.000 0.000) 0.000 8.349 ( 0.000 0.000 0.000) 0.000 8.599 ( 0.000 0.000 0.000) 0.000 8.676 ( 0.000 0.000 0.000) 0.000 8.766 ( 0.000 0.000 -0.000) 0.000 8.792 ( 0.000 0.000 0.000) 0.000 9.305 ( 0.000 0.000 0.000) 0.000 9.312 ( 0.000 0.000 0.000) 0.000 9.525 ( 0.000 0.000 -0.000) 0.000 9.554 ( 0.000 0.000 0.000) 0.000 9.753 ( 0.000 0.000 0.000) 0.000 9.794 ( 0.000 0.000 0.000) 0.000 9.892 ( 0.000 0.000 0.000) 0.000 9.960 ( 0.000 0.000 0.000) 0.000 11.709 ( 0.000 0.000 0.000) 0.000 11.742 ( 0.000 0.000 0.000) 0.000 11.796 ( 0.000 0.000 -0.000) 0.000 11.802 ( 0.000 0.000 0.000) 0.000 14.693 ( 0.000 0.000 -0.000) 0.000 14.881 ( 0.000 0.000 0.000) 0.000 14.945 ( 0.000 0.000 -0.000) 0.000 15.012 ( 0.000 0.000 0.000) 0.000 15.077 ( 0.000 0.000 -0.000) 0.000 15.195 ( 0.000 0.000 0.000) 0.000 15.460 ( 0.000 0.000 -0.000) 0.000 15.647 ( 0.000 0.000 -0.000) 0.000 15.721 ( 0.000 0.000 0.000) 0.000 15.805 ( 0.000 0.000 -0.000) 0.000 16.471 ( 0.000 0.000 0.000) 0.000 16.640 ( 0.000 0.000 -0.000) 0.000 ======================= Grid point 1 (2/60) ======================= q-point: ( 0.25 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 5.98e-04 5.98e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 40 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.428 ( 21.157 0.000 0.000) 21.157 0.479 ( 22.035 0.000 0.000) 22.035 0.716 ( 29.252 0.000 0.000) 29.252 1.146 ( -12.338 0.000 0.000) 12.338 1.175 ( -2.636 0.000 0.000) 2.636 1.295 ( 0.302 0.000 0.000) 0.302 1.319 ( 0.432 0.000 0.000) 0.432 1.571 ( -3.523 0.000 0.000) 3.523 1.759 ( -0.028 0.000 0.000) 0.028 1.782 ( 0.478 0.000 0.000) 0.478 1.842 ( 2.349 0.000 0.000) 2.349 1.953 ( -1.200 0.000 0.000) 1.200 1.984 ( -0.650 0.000 0.000) 0.650 2.039 ( -7.314 0.000 0.000) 7.314 2.052 ( 2.154 0.000 0.000) 2.154 2.135 ( -1.579 0.000 0.000) 1.579 2.301 ( 1.020 0.000 0.000) 1.020 2.335 ( 1.297 0.000 0.000) 1.297 2.388 ( 3.920 0.000 0.000) 3.920 2.564 ( -6.977 0.000 0.000) 6.977 2.684 ( 9.482 0.000 0.000) 9.482 2.865 ( 6.102 0.000 0.000) 6.102 3.074 ( -7.529 0.000 0.000) 7.529 3.295 ( -9.184 0.000 0.000) 9.184 3.695 ( 3.159 0.000 0.000) 3.159 3.874 ( -4.605 0.000 0.000) 4.605 3.976 ( 0.770 0.000 0.000) 0.770 4.000 ( 0.788 0.000 0.000) 0.788 4.611 ( 0.674 0.000 0.000) 0.674 4.636 ( -0.285 0.000 0.000) 0.285 4.973 ( 1.251 0.000 0.000) 1.251 5.020 ( 3.402 0.000 0.000) 3.402 5.047 ( -1.460 0.000 0.000) 1.460 5.169 ( -3.130 0.000 0.000) 3.130 5.208 ( 0.379 0.000 0.000) 0.379 5.254 ( -0.872 0.000 0.000) 0.872 5.456 ( 1.000 0.000 0.000) 1.000 5.536 ( -2.207 0.000 0.000) 2.207 5.681 ( 1.304 0.000 0.000) 1.304 5.720 ( -0.412 0.000 0.000) 0.412 6.574 ( -0.253 0.000 0.000) 0.253 6.602 ( -0.784 0.000 0.000) 0.784 6.737 ( 1.562 0.000 0.000) 1.562 6.788 ( 4.965 0.000 0.000) 4.965 6.810 ( -1.320 0.000 0.000) 1.320 6.888 ( 0.436 0.000 0.000) 0.436 6.970 ( 0.075 0.000 0.000) 0.075 7.017 ( -1.697 0.000 0.000) 1.697 7.229 ( -1.896 0.000 0.000) 1.896 7.260 ( -3.987 0.000 0.000) 3.987 7.500 ( 4.219 0.000 0.000) 4.219 7.560 ( 0.734 0.000 0.000) 0.734 8.146 ( 2.497 0.000 0.000) 2.497 8.213 ( 2.901 0.000 0.000) 2.901 8.318 ( -3.118 0.000 0.000) 3.118 8.364 ( -4.371 0.000 0.000) 4.371 8.624 ( 1.747 0.000 0.000) 1.747 8.670 ( -0.554 0.000 0.000) 0.554 8.776 ( 0.959 0.000 0.000) 0.959 8.823 ( -0.870 0.000 0.000) 0.870 9.304 ( -0.077 0.000 0.000) 0.077 9.307 ( -0.349 0.000 0.000) 0.349 9.532 ( 0.650 0.000 0.000) 0.650 9.555 ( -0.052 0.000 0.000) 0.052 9.766 ( 1.479 0.000 0.000) 1.479 9.830 ( 2.611 0.000 0.000) 2.611 9.867 ( -2.300 0.000 0.000) 2.300 9.942 ( -1.810 0.000 0.000) 1.810 11.713 ( -0.012 0.000 0.000) 0.012 11.732 ( -0.784 0.000 0.000) 0.784 11.804 ( 0.546 0.000 0.000) 0.546 11.807 ( 0.379 0.000 0.000) 0.379 14.710 ( 1.687 0.000 0.000) 1.687 14.823 ( -3.594 0.000 0.000) 3.594 15.007 ( 3.870 0.000 0.000) 3.870 15.081 ( 0.217 0.000 0.000) 0.217 15.174 ( -1.085 0.000 0.000) 1.085 15.179 ( -1.317 0.000 0.000) 1.317 15.491 ( 2.780 0.000 0.000) 2.780 15.620 ( -2.513 0.000 0.000) 2.513 15.823 ( 1.634 0.000 0.000) 1.634 15.876 ( -0.285 0.000 0.000) 0.285 16.640 ( 0.148 0.000 0.000) 0.148 16.680 ( -1.448 0.000 0.000) 1.448 ======================= Grid point 2 (3/60) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 5.98e-04 5.98e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 40 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.825 ( -12.751 0.000 0.000) 12.751 0.825 ( 12.751 0.000 0.000) 12.751 0.848 ( -6.868 0.000 0.000) 6.868 0.848 ( 6.868 0.000 0.000) 6.868 1.299 ( -1.172 0.000 0.000) 1.172 1.299 ( 1.172 0.000 0.000) 1.172 1.395 ( -14.491 0.000 0.000) 14.491 1.395 ( 14.491 0.000 0.000) 14.491 1.761 ( -1.433 0.000 0.000) 1.433 1.761 ( 1.433 0.000 0.000) 1.433 1.907 ( -3.821 0.000 0.000) 3.821 1.907 ( 3.821 0.000 0.000) 3.821 1.966 ( -0.632 0.000 0.000) 0.632 1.966 ( 0.632 0.000 0.000) 0.632 2.097 ( -2.126 0.000 0.000) 2.126 2.097 ( 2.126 0.000 0.000) 2.126 2.338 ( -1.870 0.000 0.000) 1.870 2.338 ( 1.870 0.000 0.000) 1.870 2.441 ( -3.045 0.000 0.000) 3.045 2.441 ( 3.045 0.000 0.000) 3.045 2.899 ( -9.945 0.000 0.000) 9.945 2.899 ( 9.945 0.000 0.000) 9.945 3.056 ( -12.506 0.000 0.000) 12.506 3.056 ( 12.506 0.000 0.000) 12.506 3.778 ( -4.735 0.000 0.000) 4.735 3.778 ( 4.735 0.000 0.000) 4.735 3.996 ( -0.904 0.000 0.000) 0.904 3.996 ( 0.904 0.000 0.000) 0.904 4.626 ( -0.669 0.000 0.000) 0.669 4.626 ( 0.669 0.000 0.000) 0.669 5.010 ( -2.081 0.000 0.000) 2.081 5.010 ( 2.081 0.000 0.000) 2.081 5.096 ( -3.871 0.000 0.000) 3.871 5.096 ( 3.871 0.000 0.000) 3.871 5.227 ( -1.415 0.000 0.000) 1.415 5.227 ( 1.415 0.000 0.000) 1.415 5.489 ( -2.184 0.000 0.000) 2.184 5.489 ( 2.184 0.000 0.000) 2.184 5.706 ( -1.003 0.000 0.000) 1.003 5.706 ( 1.003 0.000 0.000) 1.003 6.583 ( -0.958 0.000 0.000) 0.958 6.583 ( 0.958 0.000 0.000) 0.958 6.775 ( -1.999 0.000 0.000) 1.999 6.775 ( 1.999 0.000 0.000) 1.999 6.876 ( -2.566 0.000 0.000) 2.566 6.876 ( 2.566 0.000 0.000) 2.566 6.977 ( -1.295 0.000 0.000) 1.295 6.977 ( 1.295 0.000 0.000) 1.295 7.210 ( -0.629 0.000 0.000) 0.629 7.210 ( 0.629 0.000 0.000) 0.629 7.558 ( -1.336 0.000 0.000) 1.336 7.558 ( 1.336 0.000 0.000) 1.336 8.227 ( -5.115 0.000 0.000) 5.115 8.227 ( 5.115 0.000 0.000) 5.115 8.282 ( -3.714 0.000 0.000) 3.714 8.282 ( 3.714 0.000 0.000) 3.714 8.653 ( -1.111 0.000 0.000) 1.111 8.653 ( 1.111 0.000 0.000) 1.111 8.800 ( -1.283 0.000 0.000) 1.283 8.800 ( 1.283 0.000 0.000) 1.283 9.303 ( -0.037 0.000 0.000) 0.037 9.303 ( 0.037 0.000 0.000) 0.037 9.547 ( -0.717 0.000 0.000) 0.717 9.547 ( 0.717 0.000 0.000) 0.717 9.812 ( -2.811 0.000 0.000) 2.811 9.812 ( 2.811 0.000 0.000) 2.811 9.891 ( -3.067 0.000 0.000) 3.067 9.891 ( 3.067 0.000 0.000) 3.067 11.718 ( -0.493 0.000 0.000) 0.493 11.718 ( 0.493 0.000 0.000) 0.493 11.811 ( -0.063 0.000 0.000) 0.063 11.811 ( 0.063 0.000 0.000) 0.063 14.757 ( -2.883 0.000 0.000) 2.883 14.757 ( 2.883 0.000 0.000) 2.883 15.070 ( -1.879 0.000 0.000) 1.879 15.070 ( 1.879 0.000 0.000) 1.879 15.159 ( -0.145 0.000 0.000) 0.145 15.159 ( 0.145 0.000 0.000) 0.145 15.557 ( -3.442 0.000 0.000) 3.442 15.557 ( 3.442 0.000 0.000) 3.442 15.858 ( -1.503 0.000 0.000) 1.503 15.858 ( 1.503 0.000 0.000) 1.503 16.652 ( -1.115 0.000 0.000) 1.115 16.652 ( 1.115 0.000 0.000) 1.115 ======================= Grid point 5 (4/60) ======================= q-point: ( 0.00 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 5.98e-04 5.98e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.433 ( 0.000 22.232 0.000) 22.232 0.437 ( 0.000 22.370 0.000) 22.370 0.837 ( 0.000 40.816 0.000) 40.816 1.280 ( 0.000 3.254 0.000) 3.254 1.320 ( 0.000 4.778 0.000) 4.778 1.368 ( 0.000 5.413 0.000) 5.413 1.394 ( 0.000 9.399 0.000) 9.399 1.606 ( 0.000 0.160 0.000) 0.160 1.746 ( 0.000 0.295 0.000) 0.295 1.756 ( 0.000 -0.734 0.000) 0.734 1.865 ( 0.000 2.575 0.000) 2.575 1.961 ( 0.000 -0.725 0.000) 0.725 1.975 ( 0.000 -1.605 0.000) 1.605 2.050 ( 0.000 0.758 0.000) 0.758 2.133 ( 0.000 2.120 0.000) 2.120 2.157 ( 0.000 -0.128 0.000) 0.128 2.286 ( 0.000 -0.048 0.000) 0.048 2.318 ( 0.000 -0.353 0.000) 0.353 2.322 ( 0.000 0.354 0.000) 0.354 2.606 ( 0.000 3.114 0.000) 3.114 2.645 ( 0.000 -0.024 0.000) 0.024 2.803 ( 0.000 2.003 0.000) 2.003 3.162 ( 0.000 -0.351 0.000) 0.351 3.379 ( 0.000 -0.971 0.000) 0.971 3.656 ( 0.000 -0.194 0.000) 0.194 3.822 ( 0.000 0.986 0.000) 0.986 3.949 ( 0.000 -1.014 0.000) 1.014 4.000 ( 0.000 2.261 0.000) 2.261 4.609 ( 0.000 0.415 0.000) 0.415 4.650 ( 0.000 1.197 0.000) 1.197 4.926 ( 0.000 -2.394 0.000) 2.394 4.975 ( 0.000 -3.085 0.000) 3.085 5.041 ( 0.000 2.967 0.000) 2.967 5.183 ( 0.000 1.737 0.000) 1.737 5.257 ( 0.000 -1.721 0.000) 1.721 5.278 ( 0.000 -0.121 0.000) 0.121 5.415 ( 0.000 -3.300 0.000) 3.300 5.528 ( 0.000 -3.656 0.000) 3.656 5.661 ( 0.000 -0.032 0.000) 0.032 5.780 ( 0.000 1.562 0.000) 1.562 6.584 ( 0.000 -2.368 0.000) 2.368 6.600 ( 0.000 1.186 0.000) 1.186 6.699 ( 0.000 -1.999 0.000) 1.999 6.748 ( 0.000 -4.818 0.000) 4.818 6.756 ( 0.000 2.343 0.000) 2.343 6.897 ( 0.000 1.579 0.000) 1.579 6.978 ( 0.000 0.289 0.000) 0.289 7.016 ( 0.000 1.714 0.000) 1.714 7.229 ( 0.000 -2.086 0.000) 2.086 7.364 ( 0.000 2.881 0.000) 2.881 7.367 ( 0.000 -5.062 0.000) 5.062 7.512 ( 0.000 1.011 0.000) 1.011 8.117 ( 0.000 -0.661 0.000) 0.661 8.206 ( 0.000 1.108 0.000) 1.108 8.229 ( 0.000 -2.572 0.000) 2.572 8.354 ( 0.000 0.216 0.000) 0.216 8.581 ( 0.000 -0.905 0.000) 0.905 8.721 ( 0.000 -2.633 0.000) 2.633 8.756 ( 0.000 3.812 0.000) 3.812 8.834 ( 0.000 2.520 0.000) 2.520 9.278 ( 0.000 -3.078 0.000) 3.078 9.306 ( 0.000 -3.608 0.000) 3.608 9.510 ( 0.000 -1.528 0.000) 1.528 9.570 ( 0.000 0.326 0.000) 0.326 9.755 ( 0.000 0.900 0.000) 0.900 9.803 ( 0.000 1.293 0.000) 1.293 9.931 ( 0.000 3.232 0.000) 3.232 10.012 ( 0.000 1.722 0.000) 1.722 11.710 ( 0.000 0.053 0.000) 0.053 11.737 ( 0.000 -0.422 0.000) 0.422 11.788 ( 0.000 -1.340 0.000) 1.340 11.830 ( 0.000 -1.236 0.000) 1.236 14.709 ( 0.000 1.712 0.000) 1.712 14.858 ( 0.000 -1.760 0.000) 1.760 14.964 ( 0.000 -1.921 0.000) 1.921 15.022 ( 0.000 0.324 0.000) 0.324 15.077 ( 0.000 0.000 0.000) 0.000 15.427 ( 0.000 -3.280 0.000) 3.280 15.623 ( 0.000 -7.137 0.000) 7.137 15.624 ( 0.000 -2.404 0.000) 2.404 15.879 ( 0.000 4.849 0.000) 4.849 15.913 ( 0.000 2.978 0.000) 2.978 16.492 ( 0.000 1.990 0.000) 1.990 16.721 ( 0.000 -2.650 0.000) 2.650 ======================= Grid point 6 (5/60) ======================= q-point: ( 0.25 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 5.98e-04 5.98e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.577 ( 15.817 12.655 0.000) 20.256 0.603 ( 13.569 14.787 0.000) 20.070 1.059 ( 8.371 22.929 0.000) 24.409 1.184 ( -9.731 4.436 0.000) 10.694 1.264 ( 2.132 9.428 0.000) 9.666 1.384 ( 0.473 5.959 0.000) 5.978 1.389 ( 0.025 7.998 0.000) 7.998 1.593 ( -1.571 2.327 0.000) 2.807 1.751 ( -0.210 -1.093 0.000) 1.113 1.767 ( 0.054 -0.873 0.000) 0.875 1.874 ( 1.675 2.905 0.000) 3.353 1.954 ( -0.131 0.001 0.000) 0.131 1.961 ( -1.717 -1.756 0.000) 2.456 2.035 ( -4.254 -0.337 0.000) 4.267 2.082 ( 1.225 1.760 0.000) 2.144 2.164 ( 0.229 3.865 0.000) 3.871 2.288 ( 0.809 -0.918 0.000) 1.224 2.338 ( 1.038 0.152 0.000) 1.049 2.410 ( 4.964 1.771 0.000) 5.270 2.565 ( -4.639 0.576 0.000) 4.675 2.701 ( 6.352 1.726 0.000) 6.582 2.858 ( 5.536 -0.031 0.000) 5.536 3.070 ( -7.686 -0.182 0.000) 7.688 3.286 ( -9.028 -0.975 0.000) 9.080 3.691 ( 3.315 -0.038 0.000) 3.315 3.856 ( -1.777 -1.762 0.000) 2.503 3.935 ( 1.641 -0.126 0.000) 1.646 4.008 ( -0.291 0.286 0.000) 0.408 4.617 ( 0.738 0.502 0.000) 0.893 4.646 ( -0.384 1.103 0.000) 1.168 4.935 ( 1.499 -3.177 0.000) 3.513 4.999 ( 0.172 -3.713 0.000) 3.717 5.060 ( 2.210 2.955 0.000) 3.690 5.175 ( -1.379 1.584 0.000) 2.101 5.220 ( -1.895 -0.756 0.000) 2.040 5.257 ( -1.734 -0.196 0.000) 1.745 5.435 ( 1.742 -2.174 0.000) 2.786 5.514 ( -1.344 -2.273 0.000) 2.641 5.678 ( 1.506 -0.264 0.000) 1.529 5.755 ( -1.811 1.981 0.000) 2.684 6.586 ( 0.007 -0.486 0.000) 0.486 6.591 ( -0.269 0.024 0.000) 0.270 6.715 ( 0.815 -1.894 0.000) 2.062 6.744 ( 0.027 -4.409 0.000) 4.409 6.802 ( 3.659 0.438 0.000) 3.685 6.900 ( 0.313 1.527 0.000) 1.559 6.980 ( -0.274 -0.373 0.000) 0.463 7.004 ( -1.317 0.777 0.000) 1.529 7.212 ( -1.037 -1.255 0.000) 1.628 7.257 ( -4.241 -0.647 0.000) 4.290 7.476 ( 4.814 -1.707 0.000) 5.108 7.556 ( 1.612 -0.728 0.000) 1.768 8.137 ( 2.070 -0.803 0.000) 2.220 8.199 ( 2.209 -0.721 0.000) 2.324 8.270 ( -1.088 -3.949 0.000) 4.096 8.332 ( -2.344 -0.760 0.000) 2.464 8.585 ( 1.703 -0.734 0.000) 1.854 8.690 ( -2.178 -0.164 0.000) 2.185 8.790 ( 1.885 1.638 0.000) 2.497 8.837 ( -0.156 1.886 0.000) 1.893 9.274 ( -0.232 -2.931 0.000) 2.940 9.290 ( -0.875 -2.322 0.000) 2.481 9.516 ( 0.634 -1.568 0.000) 1.691 9.555 ( -1.052 -0.470 0.000) 1.153 9.768 ( 1.665 1.297 0.000) 2.110 9.824 ( 0.886 0.549 0.000) 1.042 9.926 ( -0.343 3.751 0.000) 3.767 9.986 ( -2.131 2.770 0.000) 3.495 11.712 ( 0.202 0.028 0.000) 0.204 11.731 ( -0.584 -0.237 0.000) 0.630 11.793 ( 0.510 -1.176 0.000) 1.282 11.814 ( -0.726 -0.231 0.000) 0.762 14.725 ( 1.506 1.529 0.000) 2.146 14.821 ( -2.776 -0.344 0.000) 2.798 14.987 ( 1.480 -2.265 0.000) 2.706 15.012 ( -0.135 -3.081 0.000) 3.084 15.136 ( 4.120 1.261 0.000) 4.309 15.362 ( -7.362 1.272 0.000) 7.471 15.520 ( -1.801 1.727 0.000) 2.495 15.597 ( -2.445 -2.496 0.000) 3.494 15.854 ( 0.682 3.943 0.000) 4.002 15.904 ( -0.534 2.720 0.000) 2.772 16.573 ( 3.805 -2.345 0.000) 4.469 16.688 ( -2.594 -1.309 0.000) 2.906 ======================= Grid point 7 (6/60) ======================= q-point: (-0.50 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 5.98e-04 5.98e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 55 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.897 ( -10.170 6.950 0.000) 12.318 0.897 ( 10.170 6.950 0.000) 12.318 0.932 ( -10.304 7.406 0.000) 12.690 0.932 ( 10.304 7.406 0.000) 12.690 1.385 ( -0.010 6.846 0.000) 6.846 1.385 ( 0.010 6.846 0.000) 6.846 1.495 ( -9.658 9.750 0.000) 13.724 1.495 ( 9.658 9.750 0.000) 13.724 1.748 ( -0.668 -1.348 0.000) 1.505 1.748 ( 0.668 -1.348 0.000) 1.505 1.916 ( -1.410 0.578 0.000) 1.524 1.916 ( 1.410 0.578 0.000) 1.524 1.977 ( -0.745 1.182 0.000) 1.397 1.977 ( 0.745 1.182 0.000) 1.397 2.133 ( -2.683 3.742 0.000) 4.605 2.133 ( 2.683 3.742 0.000) 4.605 2.326 ( -1.923 -0.962 0.000) 2.151 2.326 ( 1.923 -0.962 0.000) 2.151 2.474 ( -1.676 3.208 0.000) 3.619 2.474 ( 1.676 3.208 0.000) 3.619 2.875 ( -8.464 -1.924 0.000) 8.680 2.875 ( 8.464 -1.924 0.000) 8.680 3.059 ( -11.301 0.313 0.000) 11.305 3.059 ( 11.301 0.313 0.000) 11.305 3.775 ( -4.641 -0.161 0.000) 4.644 3.775 ( 4.641 -0.161 0.000) 4.644 3.983 ( -1.516 -0.604 0.000) 1.631 3.983 ( 1.516 -0.604 0.000) 1.631 4.634 ( -0.191 0.793 0.000) 0.815 4.634 ( 0.191 0.793 0.000) 0.815 4.975 ( -1.045 -3.342 0.000) 3.501 4.975 ( 1.045 -3.342 0.000) 3.501 5.120 ( -3.094 1.855 0.000) 3.608 5.120 ( 3.094 1.855 0.000) 3.608 5.221 ( -0.499 -0.462 0.000) 0.680 5.221 ( 0.499 -0.462 0.000) 0.680 5.477 ( -2.084 -1.343 0.000) 2.479 5.477 ( 2.084 -1.343 0.000) 2.479 5.715 ( -1.420 0.587 0.000) 1.537 5.715 ( 1.420 0.587 0.000) 1.537 6.588 ( -0.024 0.127 0.000) 0.129 6.588 ( 0.024 0.127 0.000) 0.129 6.733 ( -0.164 -3.427 0.000) 3.431 6.733 ( 0.164 -3.427 0.000) 3.431 6.882 ( -1.703 0.389 0.000) 1.747 6.882 ( 1.703 0.389 0.000) 1.747 6.976 ( -0.356 0.182 0.000) 0.400 6.976 ( 0.356 0.182 0.000) 0.400 7.206 ( -0.342 -0.449 0.000) 0.564 7.206 ( 0.342 -0.449 0.000) 0.564 7.549 ( -2.162 -1.213 0.000) 2.479 7.549 ( 2.162 -1.213 0.000) 2.479 8.204 ( -3.361 -2.014 0.000) 3.918 8.204 ( 3.361 -2.014 0.000) 3.918 8.266 ( -3.522 -1.189 0.000) 3.717 8.266 ( 3.522 -1.189 0.000) 3.717 8.638 ( -2.880 -0.619 0.000) 2.946 8.638 ( 2.880 -0.619 0.000) 2.946 8.822 ( -0.390 1.819 0.000) 1.861 8.822 ( 0.390 1.819 0.000) 1.861 9.276 ( -0.219 -2.498 0.000) 2.508 9.276 ( 0.219 -2.498 0.000) 2.508 9.533 ( -0.742 -1.400 0.000) 1.584 9.533 ( 0.742 -1.400 0.000) 1.584 9.811 ( -1.419 0.871 0.000) 1.665 9.811 ( 1.419 0.871 0.000) 1.665 9.941 ( -0.828 3.533 0.000) 3.629 9.941 ( 0.828 3.533 0.000) 3.629 11.719 ( -0.284 0.061 0.000) 0.290 11.719 ( 0.284 0.061 0.000) 0.290 11.804 ( -0.294 -0.792 0.000) 0.845 11.804 ( 0.294 -0.792 0.000) 0.845 14.766 ( -1.426 0.897 0.000) 1.685 14.766 ( 1.426 0.897 0.000) 1.685 15.008 ( -0.032 -3.645 0.000) 3.645 15.008 ( 0.032 -3.645 0.000) 3.645 15.228 ( -1.855 3.177 0.000) 3.679 15.228 ( 1.855 3.177 0.000) 3.679 15.543 ( -2.169 -1.558 0.000) 2.671 15.543 ( 2.169 -1.558 0.000) 2.671 15.883 ( -1.130 2.572 0.000) 2.809 15.883 ( 1.130 2.572 0.000) 2.809 16.633 ( -2.522 -1.434 0.000) 2.901 16.633 ( 2.522 -1.434 0.000) 2.901 ======================= Grid point 10 (7/60) ======================= q-point: ( 0.00 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 5.98e-04 5.98e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.844 ( 0.000 19.519 0.000) 19.519 0.846 ( 0.000 20.431 0.000) 20.431 1.325 ( 0.000 2.048 0.000) 2.048 1.427 ( 0.000 4.282 0.000) 4.282 1.448 ( 0.000 2.785 0.000) 2.785 1.485 ( 0.000 18.626 0.000) 18.626 1.574 ( 0.000 7.702 0.000) 7.702 1.626 ( 0.000 5.935 0.000) 5.935 1.745 ( 0.000 -0.830 0.000) 0.830 1.766 ( 0.000 1.477 0.000) 1.477 1.915 ( 0.000 1.939 0.000) 1.939 1.947 ( 0.000 -0.413 0.000) 0.413 1.955 ( 0.000 0.983 0.000) 0.983 2.031 ( 0.000 -1.597 0.000) 1.597 2.132 ( 0.000 -1.526 0.000) 1.526 2.200 ( 0.000 3.392 0.000) 3.392 2.300 ( 0.000 1.194 0.000) 1.194 2.325 ( 0.000 1.182 0.000) 1.182 2.346 ( 0.000 2.472 0.000) 2.472 2.624 ( 0.000 -2.354 0.000) 2.354 2.693 ( 0.000 5.667 0.000) 5.667 2.855 ( 0.000 2.756 0.000) 2.756 3.165 ( 0.000 0.916 0.000) 0.916 3.342 ( 0.000 -2.970 0.000) 2.970 3.669 ( 0.000 1.778 0.000) 1.778 3.842 ( 0.000 0.089 0.000) 0.089 3.936 ( 0.000 0.584 0.000) 0.584 4.043 ( 0.000 1.658 0.000) 1.658 4.621 ( 0.000 1.017 0.000) 1.017 4.686 ( 0.000 2.531 0.000) 2.531 4.890 ( 0.000 -5.390 0.000) 5.390 4.892 ( 0.000 -1.200 0.000) 1.200 5.090 ( 0.000 2.160 0.000) 2.160 5.214 ( 0.000 -1.974 0.000) 1.974 5.231 ( 0.000 2.346 0.000) 2.346 5.277 ( 0.000 -1.266 0.000) 1.266 5.333 ( 0.000 -4.010 0.000) 4.010 5.440 ( 0.000 -4.397 0.000) 4.397 5.669 ( 0.000 1.093 0.000) 1.093 5.798 ( 0.000 -0.240 0.000) 0.240 6.530 ( 0.000 -2.989 0.000) 2.989 6.583 ( 0.000 -3.774 0.000) 3.774 6.672 ( 0.000 -0.231 0.000) 0.231 6.693 ( 0.000 0.147 0.000) 0.147 6.807 ( 0.000 2.850 0.000) 2.850 6.938 ( 0.000 2.550 0.000) 2.550 6.975 ( 0.000 -0.772 0.000) 0.772 7.036 ( 0.000 0.175 0.000) 0.175 7.187 ( 0.000 -2.046 0.000) 2.046 7.258 ( 0.000 -5.781 0.000) 5.781 7.424 ( 0.000 3.164 0.000) 3.164 7.521 ( 0.000 -0.005 0.000) 0.005 8.104 ( 0.000 -0.564 0.000) 0.564 8.172 ( 0.000 -3.033 0.000) 3.033 8.234 ( 0.000 1.782 0.000) 1.782 8.347 ( 0.000 -1.077 0.000) 1.077 8.583 ( 0.000 1.184 0.000) 1.184 8.679 ( 0.000 -1.698 0.000) 1.698 8.831 ( 0.000 3.584 0.000) 3.584 8.876 ( 0.000 1.737 0.000) 1.737 9.217 ( 0.000 -2.809 0.000) 2.809 9.237 ( 0.000 -3.289 0.000) 3.289 9.477 ( 0.000 -1.461 0.000) 1.461 9.543 ( 0.000 -2.643 0.000) 2.643 9.798 ( 0.000 2.954 0.000) 2.954 9.838 ( 0.000 1.835 0.000) 1.835 9.994 ( 0.000 2.990 0.000) 2.990 10.044 ( 0.000 1.298 0.000) 1.298 11.711 ( 0.000 0.133 0.000) 0.133 11.730 ( 0.000 -0.181 0.000) 0.181 11.757 ( 0.000 -1.669 0.000) 1.669 11.798 ( 0.000 -1.920 0.000) 1.920 14.756 ( 0.000 3.013 0.000) 3.013 14.831 ( 0.000 -0.938 0.000) 0.938 14.920 ( 0.000 -2.370 0.000) 2.370 15.006 ( 0.000 -2.155 0.000) 2.155 15.084 ( 0.000 0.999 0.000) 0.999 15.340 ( 0.000 -5.697 0.000) 5.697 15.491 ( 0.000 -5.623 0.000) 5.623 15.556 ( 0.000 -4.422 0.000) 4.422 15.966 ( 0.000 4.073 0.000) 4.073 15.981 ( 0.000 3.536 0.000) 3.536 16.538 ( 0.000 2.595 0.000) 2.595 16.665 ( 0.000 -2.785 0.000) 2.785 ======================= Grid point 11 (8/60) ======================= q-point: ( 0.25 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 5.98e-04 5.98e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.876 ( 5.447 16.765 0.000) 17.628 0.918 ( 6.362 16.633 0.000) 17.808 1.249 ( -6.848 4.776 0.000) 8.348 1.310 ( -9.134 4.575 0.000) 10.216 1.476 ( 0.419 2.333 0.000) 2.370 1.503 ( -1.482 2.742 0.000) 3.117 1.588 ( 4.286 10.567 0.000) 11.403 1.676 ( 3.064 9.284 0.000) 9.776 1.726 ( -1.445 -1.478 0.000) 2.067 1.774 ( 0.116 2.048 0.000) 2.052 1.921 ( 0.268 0.965 0.000) 1.001 1.939 ( -0.611 0.479 0.000) 0.776 1.969 ( 1.617 1.861 0.000) 2.465 2.021 ( -1.589 -0.904 0.000) 1.828 2.130 ( 3.408 4.204 0.000) 5.412 2.257 ( 3.247 3.843 0.000) 5.031 2.271 ( -1.030 0.023 0.000) 1.031 2.348 ( -0.008 1.646 0.000) 1.646 2.435 ( 6.757 0.579 0.000) 6.781 2.586 ( -2.711 0.318 0.000) 2.730 2.745 ( 4.484 3.364 0.000) 5.606 2.880 ( 2.823 2.132 0.000) 3.538 3.083 ( -6.872 1.861 0.000) 7.119 3.257 ( -7.977 -2.109 0.000) 8.251 3.704 ( 3.119 1.547 0.000) 3.481 3.835 ( -1.410 -0.716 0.000) 1.581 3.950 ( 1.442 1.356 0.000) 1.980 4.024 ( -1.606 1.139 0.000) 1.969 4.633 ( 1.104 1.324 0.000) 1.724 4.680 ( -0.670 2.379 0.000) 2.472 4.871 ( 0.273 -3.613 0.000) 3.623 4.915 ( 0.010 -4.495 0.000) 4.495 5.101 ( 0.927 0.808 0.000) 1.230 5.175 ( -2.849 -2.580 0.000) 3.844 5.231 ( -0.142 2.732 0.000) 2.735 5.252 ( -1.166 -0.318 0.000) 1.209 5.385 ( 3.310 -2.331 0.000) 4.048 5.451 ( 0.561 -3.641 0.000) 3.684 5.677 ( 0.979 0.396 0.000) 1.056 5.772 ( -2.384 -0.392 0.000) 2.416 6.541 ( 0.957 -3.112 0.000) 3.256 6.576 ( -0.604 -3.316 0.000) 3.370 6.678 ( 0.568 -0.445 0.000) 0.722 6.698 ( 0.062 -0.050 0.000) 0.080 6.829 ( 2.430 2.193 0.000) 3.273 6.940 ( -0.386 2.173 0.000) 2.207 6.969 ( -0.207 -0.483 0.000) 0.526 7.021 ( -1.479 0.438 0.000) 1.543 7.184 ( -0.103 -1.586 0.000) 1.589 7.224 ( -2.345 -2.764 0.000) 3.625 7.456 ( 2.759 -0.071 0.000) 2.760 7.534 ( 0.312 -1.457 0.000) 1.490 8.121 ( 1.674 -0.655 0.000) 1.798 8.176 ( 0.897 -2.249 0.000) 2.421 8.233 ( -0.623 0.430 0.000) 0.757 8.315 ( -2.850 -1.099 0.000) 3.054 8.596 ( 1.642 1.581 0.000) 2.280 8.677 ( -0.723 -0.774 0.000) 1.059 8.838 ( 0.726 2.738 0.000) 2.833 8.874 ( -0.399 1.599 0.000) 1.648 9.216 ( 0.117 -2.606 0.000) 2.608 9.234 ( -0.306 -2.897 0.000) 2.914 9.482 ( 0.516 -1.635 0.000) 1.714 9.526 ( -1.370 -2.275 0.000) 2.656 9.812 ( 1.384 2.759 0.000) 3.087 9.848 ( 0.586 1.539 0.000) 1.646 9.991 ( -0.159 2.874 0.000) 2.879 10.028 ( -1.415 1.603 0.000) 2.138 11.714 ( 0.231 0.135 0.000) 0.267 11.726 ( -0.307 -0.151 0.000) 0.342 11.766 ( 0.733 -1.532 0.000) 1.699 11.793 ( -0.459 -1.643 0.000) 1.706 14.766 ( 0.928 2.584 0.000) 2.746 14.816 ( -1.223 -0.047 0.000) 1.224 14.931 ( 0.858 -2.784 0.000) 2.914 14.973 ( -1.720 -1.815 0.000) 2.500 15.148 ( 4.605 0.085 0.000) 4.606 15.315 ( -2.517 -4.259 0.000) 4.947 15.483 ( -0.358 -4.119 0.000) 4.135 15.532 ( -2.128 -4.031 0.000) 4.558 15.947 ( -1.137 4.670 0.000) 4.806 15.966 ( -0.864 3.332 0.000) 3.442 16.567 ( 2.233 1.062 0.000) 2.472 16.651 ( -1.393 -2.017 0.000) 2.451 ======================= Grid point 12 (9/60) ======================= q-point: (-0.50 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 5.98e-04 5.98e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 55 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.056 ( -2.094 8.841 0.000) 9.086 1.056 ( 2.094 8.841 0.000) 9.086 1.102 ( -2.513 9.665 0.000) 9.986 1.102 ( 2.513 9.665 0.000) 9.986 1.479 ( -0.112 1.352 0.000) 1.357 1.479 ( 0.112 1.352 0.000) 1.357 1.662 ( -2.906 3.373 0.000) 4.452 1.662 ( 2.906 3.373 0.000) 4.452 1.755 ( -2.297 4.517 0.000) 5.067 1.755 ( 2.297 4.517 0.000) 5.067 1.927 ( -0.071 0.783 0.000) 0.786 1.927 ( 0.071 0.783 0.000) 0.786 1.998 ( -0.123 0.868 0.000) 0.877 1.998 ( 0.123 0.868 0.000) 0.877 2.221 ( -3.982 3.610 0.000) 5.374 2.221 ( 3.982 3.610 0.000) 5.374 2.325 ( -0.727 2.175 0.000) 2.293 2.325 ( 0.727 2.175 0.000) 2.293 2.533 ( -0.951 1.548 0.000) 1.816 2.533 ( 0.951 1.548 0.000) 1.816 2.866 ( -6.671 2.095 0.000) 6.992 2.866 ( 6.671 2.095 0.000) 6.992 3.067 ( -8.472 0.471 0.000) 8.485 3.067 ( 8.472 0.471 0.000) 8.485 3.778 ( -3.719 0.546 0.000) 3.759 3.778 ( 3.719 0.546 0.000) 3.759 3.987 ( -1.232 0.932 0.000) 1.545 3.987 ( 1.232 0.932 0.000) 1.545 4.659 ( -0.261 1.888 0.000) 1.906 4.659 ( 0.261 1.888 0.000) 1.906 4.895 ( -0.497 -4.593 0.000) 4.620 4.895 ( 0.497 -4.593 0.000) 4.620 5.126 ( -0.847 -1.725 0.000) 1.921 5.126 ( 0.847 -1.725 0.000) 1.921 5.234 ( -0.130 2.020 0.000) 2.024 5.234 ( 0.130 2.020 0.000) 2.024 5.440 ( -1.626 -2.094 0.000) 2.651 5.440 ( 1.626 -2.094 0.000) 2.651 5.716 ( -1.412 -0.534 0.000) 1.510 5.716 ( 1.412 -0.534 0.000) 1.510 6.561 ( -0.293 -3.176 0.000) 3.189 6.561 ( 0.293 -3.176 0.000) 3.189 6.691 ( -0.063 -0.207 0.000) 0.216 6.691 ( 0.063 -0.207 0.000) 0.216 6.896 ( -3.523 1.057 0.000) 3.678 6.896 ( 3.523 1.057 0.000) 3.678 6.986 ( -1.256 0.795 0.000) 1.487 6.986 ( 1.256 0.795 0.000) 1.487 7.191 ( -0.207 -1.215 0.000) 1.233 7.191 ( 0.207 -1.215 0.000) 1.233 7.513 ( -1.840 -2.164 0.000) 2.840 7.513 ( 1.840 -2.164 0.000) 2.840 8.167 ( -1.148 -1.615 0.000) 1.982 8.167 ( 1.148 -1.615 0.000) 1.982 8.250 ( -2.708 -0.337 0.000) 2.729 8.250 ( 2.708 -0.337 0.000) 2.729 8.643 ( -2.280 0.879 0.000) 2.444 8.643 ( 2.280 0.879 0.000) 2.444 8.858 ( -0.222 1.714 0.000) 1.728 8.858 ( 0.222 1.714 0.000) 1.728 9.224 ( -0.217 -2.521 0.000) 2.530 9.224 ( 0.217 -2.521 0.000) 2.530 9.499 ( -0.898 -1.933 0.000) 2.131 9.499 ( 0.898 -1.933 0.000) 2.131 9.843 ( -1.119 1.971 0.000) 2.267 9.843 ( 1.119 1.971 0.000) 2.267 9.999 ( -0.298 2.333 0.000) 2.352 9.999 ( 0.298 2.333 0.000) 2.352 11.720 ( -0.075 0.069 0.000) 0.102 11.720 ( 0.075 0.069 0.000) 0.102 11.781 ( -0.590 -1.471 0.000) 1.585 11.781 ( 0.590 -1.471 0.000) 1.585 14.789 ( -0.304 1.427 0.000) 1.458 14.789 ( 0.304 1.427 0.000) 1.458 14.948 ( -0.108 -2.596 0.000) 2.598 14.948 ( 0.108 -2.596 0.000) 2.598 15.242 ( -1.500 -1.159 0.000) 1.896 15.242 ( 1.500 -1.159 0.000) 1.896 15.492 ( -0.445 -3.595 0.000) 3.622 15.492 ( 0.445 -3.595 0.000) 3.622 15.947 ( -0.297 3.574 0.000) 3.587 15.947 ( 0.297 3.574 0.000) 3.587 16.613 ( -1.867 -0.528 0.000) 1.940 16.613 ( 1.867 -0.528 0.000) 1.940 ======================= Grid point 15 (10/60) ======================= q-point: ( 0.00 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 5.98e-04 5.98e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.163 ( 0.000 12.725 0.000) 12.725 1.195 ( 0.000 14.307 0.000) 14.307 1.339 ( 0.000 -0.974 0.000) 0.974 1.444 ( 0.000 -4.885 0.000) 4.885 1.477 ( 0.000 1.316 0.000) 1.316 1.498 ( 0.000 -3.023 0.000) 3.023 1.658 ( 0.000 1.690 0.000) 1.690 1.703 ( 0.000 -3.157 0.000) 3.157 1.787 ( 0.000 1.009 0.000) 1.009 1.794 ( 0.000 1.776 0.000) 1.776 1.955 ( 0.000 0.971 0.000) 0.971 1.961 ( 0.000 1.522 0.000) 1.522 1.996 ( 0.000 1.416 0.000) 1.416 2.013 ( 0.000 -0.443 0.000) 0.443 2.178 ( 0.000 5.973 0.000) 5.973 2.236 ( 0.000 -0.006 0.000) 0.006 2.329 ( 0.000 1.626 0.000) 1.626 2.345 ( 0.000 0.265 0.000) 0.265 2.422 ( 0.000 5.839 0.000) 5.839 2.547 ( 0.000 -5.748 0.000) 5.748 2.809 ( 0.000 5.693 0.000) 5.693 2.879 ( 0.000 -1.015 0.000) 1.015 3.203 ( 0.000 2.936 0.000) 2.936 3.272 ( 0.000 -4.000 0.000) 4.000 3.723 ( 0.000 3.686 0.000) 3.686 3.800 ( 0.000 -3.806 0.000) 3.806 3.987 ( 0.000 3.762 0.000) 3.762 4.045 ( 0.000 -1.660 0.000) 1.660 4.659 ( 0.000 3.101 0.000) 3.101 4.721 ( 0.000 -1.275 0.000) 1.275 4.813 ( 0.000 0.110 0.000) 0.110 4.863 ( 0.000 -2.461 0.000) 2.461 5.131 ( 0.000 2.380 0.000) 2.380 5.182 ( 0.000 -1.908 0.000) 1.908 5.213 ( 0.000 -2.088 0.000) 2.088 5.218 ( 0.000 -3.194 0.000) 3.194 5.339 ( 0.000 2.933 0.000) 2.933 5.386 ( 0.000 -1.900 0.000) 1.900 5.706 ( 0.000 2.691 0.000) 2.691 5.765 ( 0.000 -2.944 0.000) 2.944 6.488 ( 0.000 -0.828 0.000) 0.828 6.508 ( 0.000 -2.902 0.000) 2.902 6.689 ( 0.000 1.419 0.000) 1.419 6.704 ( 0.000 0.085 0.000) 0.085 6.867 ( 0.000 3.531 0.000) 3.531 6.937 ( 0.000 -3.229 0.000) 3.229 6.988 ( 0.000 2.413 0.000) 2.413 7.025 ( 0.000 -1.287 0.000) 1.287 7.158 ( 0.000 -0.780 0.000) 0.780 7.171 ( 0.000 -2.622 0.000) 2.622 7.478 ( 0.000 2.324 0.000) 2.324 7.511 ( 0.000 -1.074 0.000) 1.074 8.101 ( 0.000 0.406 0.000) 0.406 8.123 ( 0.000 -1.904 0.000) 1.904 8.273 ( 0.000 2.193 0.000) 2.193 8.315 ( 0.000 -2.066 0.000) 2.066 8.616 ( 0.000 1.952 0.000) 1.952 8.650 ( 0.000 -1.515 0.000) 1.515 8.884 ( 0.000 1.730 0.000) 1.730 8.897 ( 0.000 0.280 0.000) 0.280 9.182 ( 0.000 -0.726 0.000) 0.726 9.189 ( 0.000 -1.501 0.000) 1.501 9.465 ( 0.000 0.318 0.000) 0.318 9.491 ( 0.000 -2.318 0.000) 2.318 9.846 ( 0.000 1.788 0.000) 1.788 9.860 ( 0.000 0.333 0.000) 0.333 10.039 ( 0.000 1.675 0.000) 1.675 10.056 ( 0.000 -0.092 0.000) 0.092 11.716 ( 0.000 0.385 0.000) 0.385 11.729 ( 0.000 -1.108 0.000) 1.108 11.736 ( 0.000 0.861 0.000) 0.861 11.762 ( 0.000 -1.744 0.000) 1.744 14.812 ( 0.000 1.997 0.000) 1.997 14.823 ( 0.000 -0.015 0.000) 0.015 14.894 ( 0.000 0.523 0.000) 0.523 14.945 ( 0.000 -3.704 0.000) 3.704 15.125 ( 0.000 3.502 0.000) 3.502 15.220 ( 0.000 -6.114 0.000) 6.114 15.433 ( 0.000 -0.275 0.000) 0.275 15.471 ( 0.000 -3.805 0.000) 3.805 16.026 ( 0.000 1.854 0.000) 1.854 16.031 ( 0.000 1.345 0.000) 1.345 16.584 ( 0.000 2.060 0.000) 2.060 16.620 ( 0.000 -1.939 0.000) 1.939 ======================= Grid point 16 (11/60) ======================= q-point: ( 0.25 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 5.98e-04 5.98e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.167 ( 0.950 11.911 0.000) 11.949 1.210 ( 1.101 12.751 0.000) 12.799 1.304 ( -2.939 -0.006 0.000) 2.939 1.385 ( -6.975 3.350 0.000) 7.738 1.441 ( -1.434 -7.168 0.000) 7.310 1.463 ( -1.776 -2.948 0.000) 3.441 1.656 ( 0.172 1.037 0.000) 1.051 1.687 ( -1.055 -2.305 0.000) 2.535 1.809 ( 1.667 1.382 0.000) 2.165 1.812 ( 1.483 1.449 0.000) 2.073 1.947 ( -0.255 1.702 0.000) 1.721 1.960 ( -0.386 0.670 0.000) 0.774 2.004 ( 0.615 1.071 0.000) 1.235 2.011 ( 0.005 0.004 0.000) 0.006 2.220 ( 1.992 3.238 0.000) 3.802 2.252 ( 0.302 -0.781 0.000) 0.837 2.352 ( 3.475 4.892 0.000) 6.001 2.406 ( 2.814 1.188 0.000) 3.054 2.441 ( 3.042 2.745 0.000) 4.098 2.541 ( -0.626 -4.650 0.000) 4.692 2.840 ( 3.479 5.399 0.000) 6.423 2.904 ( 2.813 -0.680 0.000) 2.894 3.138 ( -5.738 3.505 0.000) 6.724 3.205 ( -6.163 -3.206 0.000) 6.947 3.749 ( 2.163 2.923 0.000) 3.636 3.805 ( 0.161 -2.536 0.000) 2.541 3.991 ( 0.400 2.646 0.000) 2.676 4.030 ( -1.278 -0.922 0.000) 1.576 4.673 ( 1.343 2.955 0.000) 3.246 4.722 ( -0.173 0.166 0.000) 0.240 4.804 ( -0.401 -1.050 0.000) 1.124 4.847 ( -1.451 -3.109 0.000) 3.431 5.096 ( -1.896 -0.336 0.000) 1.925 5.120 ( -3.128 -2.634 0.000) 4.089 5.250 ( 1.959 0.343 0.000) 1.989 5.260 ( 1.352 -0.123 0.000) 1.358 5.371 ( 2.639 0.989 0.000) 2.819 5.399 ( 1.210 -1.740 0.000) 2.119 5.698 ( -0.511 1.798 0.000) 1.869 5.742 ( -2.015 -2.414 0.000) 3.145 6.493 ( 0.430 -1.221 0.000) 1.295 6.507 ( -0.149 -2.641 0.000) 2.645 6.694 ( 0.424 1.192 0.000) 1.265 6.705 ( 0.026 0.135 0.000) 0.137 6.879 ( 1.255 2.936 0.000) 3.193 6.934 ( -0.444 -2.345 0.000) 2.386 6.992 ( 0.373 2.060 0.000) 2.093 7.019 ( -0.564 -0.689 0.000) 0.890 7.159 ( 0.157 -0.726 0.000) 0.743 7.171 ( -0.137 -2.060 0.000) 2.064 7.472 ( -0.187 1.474 0.000) 1.486 7.504 ( -0.850 -1.676 0.000) 1.879 8.117 ( 1.434 0.301 0.000) 1.465 8.135 ( 1.077 -1.640 0.000) 1.962 8.258 ( -1.227 1.690 0.000) 2.089 8.290 ( -2.176 -1.550 0.000) 2.671 8.632 ( 1.411 1.845 0.000) 2.323 8.660 ( 0.625 -1.065 0.000) 1.235 8.880 ( -0.206 1.489 0.000) 1.503 8.892 ( -0.455 0.223 0.000) 0.507 9.184 ( 0.255 -0.645 0.000) 0.694 9.191 ( 0.104 -1.383 0.000) 1.387 9.464 ( 0.042 -0.039 0.000) 0.057 9.483 ( -0.698 -1.853 0.000) 1.980 9.856 ( 0.889 1.589 0.000) 1.820 9.868 ( 0.589 0.339 0.000) 0.680 10.033 ( -0.517 1.444 0.000) 1.533 10.045 ( -0.951 0.138 0.000) 0.961 11.719 ( 0.281 0.425 0.000) 0.510 11.727 ( -0.118 -0.026 0.000) 0.121 11.743 ( 0.562 -0.336 0.000) 0.655 11.760 ( -0.164 -1.570 0.000) 1.579 14.811 ( 0.032 1.524 0.000) 1.525 14.820 ( -0.254 0.371 0.000) 0.450 14.898 ( 0.430 -0.016 0.000) 0.431 14.931 ( -1.056 -2.506 0.000) 2.720 15.162 ( 2.953 1.918 0.000) 3.521 15.226 ( 0.340 -4.495 0.000) 4.508 15.427 ( -0.420 -0.863 0.000) 0.960 15.455 ( -1.450 -3.345 0.000) 3.646 16.013 ( -1.110 1.885 0.000) 2.187 16.016 ( -1.029 1.454 0.000) 1.782 16.593 ( 0.798 1.384 0.000) 1.598 16.619 ( -0.221 -1.370 0.000) 1.387 ======================= Grid point 17 (12/60) ======================= q-point: (-0.50 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 5.98e-04 5.98e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 55 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.220 ( -3.081 7.427 0.000) 8.041 1.220 ( 3.081 7.427 0.000) 8.041 1.259 ( -1.008 4.934 0.000) 5.036 1.259 ( 1.008 4.934 0.000) 5.036 1.436 ( -0.656 -4.045 0.000) 4.098 1.436 ( 0.656 -4.045 0.000) 4.098 1.668 ( -0.613 -0.877 0.000) 1.070 1.668 ( 0.613 -0.877 0.000) 1.070 1.832 ( -0.002 1.862 0.000) 1.862 1.832 ( 0.002 1.862 0.000) 1.862 1.949 ( -0.158 0.986 0.000) 0.999 1.949 ( 0.158 0.986 0.000) 0.999 2.012 ( -0.004 0.481 0.000) 0.481 2.012 ( 0.004 0.481 0.000) 0.481 2.242 ( -0.138 -0.010 0.000) 0.138 2.242 ( 0.138 -0.010 0.000) 0.138 2.414 ( -0.177 5.115 0.000) 5.118 2.414 ( 0.177 5.115 0.000) 5.118 2.514 ( -0.419 -2.802 0.000) 2.833 2.514 ( 0.419 -2.802 0.000) 2.833 2.940 ( -3.281 3.615 0.000) 4.882 2.940 ( 3.281 3.615 0.000) 4.882 3.070 ( -4.192 -0.257 0.000) 4.199 3.070 ( 4.192 -0.257 0.000) 4.199 3.792 ( -1.593 0.561 0.000) 1.689 3.792 ( 1.593 0.561 0.000) 1.689 4.005 ( -0.457 0.600 0.000) 0.754 4.005 ( 0.457 0.600 0.000) 0.754 4.705 ( -0.365 2.412 0.000) 2.439 4.705 ( 0.365 2.412 0.000) 2.439 4.815 ( -0.237 -3.187 0.000) 3.196 4.815 ( 0.237 -3.187 0.000) 3.196 5.081 ( -0.047 -1.940 0.000) 1.940 5.081 ( 0.047 -1.940 0.000) 1.940 5.270 ( -0.059 1.111 0.000) 1.113 5.270 ( 0.059 1.111 0.000) 1.113 5.411 ( -0.160 -0.724 0.000) 0.741 5.411 ( 0.160 -0.724 0.000) 0.741 5.703 ( -0.277 -0.550 0.000) 0.616 5.703 ( 0.277 -0.550 0.000) 0.616 6.502 ( -0.081 -1.991 0.000) 1.993 6.502 ( 0.081 -1.991 0.000) 1.993 6.702 ( -0.021 0.632 0.000) 0.633 6.702 ( 0.021 0.632 0.000) 0.633 6.913 ( -0.490 0.484 0.000) 0.689 6.913 ( 0.490 0.484 0.000) 0.689 7.004 ( -0.118 0.770 0.000) 0.779 7.004 ( 0.118 0.770 0.000) 0.779 7.165 ( -0.034 -1.072 0.000) 1.072 7.165 ( 0.034 -1.072 0.000) 1.072 7.481 ( -0.331 -0.875 0.000) 0.935 7.481 ( 0.331 -0.875 0.000) 0.935 8.145 ( -0.118 -0.593 0.000) 0.604 8.145 ( 0.118 -0.593 0.000) 0.604 8.249 ( -0.612 0.077 0.000) 0.617 8.249 ( 0.612 0.077 0.000) 0.617 8.660 ( -0.385 0.590 0.000) 0.705 8.660 ( 0.385 0.590 0.000) 0.705 8.882 ( -0.032 0.656 0.000) 0.657 8.882 ( 0.032 0.656 0.000) 0.657 9.190 ( -0.035 -0.917 0.000) 0.918 9.190 ( 0.035 -0.917 0.000) 0.918 9.469 ( -0.187 -0.912 0.000) 0.931 9.469 ( 0.187 -0.912 0.000) 0.931 9.872 ( -0.089 0.883 0.000) 0.888 9.872 ( 0.089 0.883 0.000) 0.888 10.029 ( -0.033 0.792 0.000) 0.793 10.029 ( 0.033 0.792 0.000) 0.793 11.724 ( -0.022 0.402 0.000) 0.403 11.724 ( 0.022 0.402 0.000) 0.403 11.754 ( -0.213 -1.104 0.000) 1.125 11.754 ( 0.213 -1.104 0.000) 1.125 14.814 ( -0.008 0.913 0.000) 0.914 14.814 ( 0.008 0.913 0.000) 0.914 14.911 ( -0.209 -1.130 0.000) 1.149 14.911 ( 0.209 -1.130 0.000) 1.149 15.215 ( -0.271 -0.994 0.000) 1.030 15.215 ( 0.271 -0.994 0.000) 1.030 15.428 ( -0.135 -2.224 0.000) 2.228 15.428 ( 0.135 -2.224 0.000) 2.228 16.001 ( -0.015 1.636 0.000) 1.636 16.001 ( 0.015 1.636 0.000) 1.636 16.610 ( -0.320 -0.002 0.000) 0.320 16.610 ( 0.320 -0.002 0.000) 0.320 ======================= Grid point 35 (13/60) ======================= q-point: ( 0.00 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 5.98e-04 5.98e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.449 ( 0.000 0.000 21.218) 21.218 0.474 ( 0.000 0.000 21.901) 21.901 0.960 ( 0.000 0.000 41.168) 41.168 1.253 ( 0.000 0.000 2.494) 2.494 1.295 ( 0.000 0.000 0.722) 0.722 1.331 ( 0.000 0.000 2.930) 2.930 1.396 ( 0.000 0.000 9.495) 9.495 1.592 ( 0.000 0.000 -0.894) 0.894 1.757 ( 0.000 0.000 0.898) 0.898 1.764 ( 0.000 0.000 -0.559) 0.559 1.833 ( 0.000 0.000 1.188) 1.188 1.949 ( 0.000 0.000 -1.815) 1.815 2.002 ( 0.000 0.000 0.441) 0.441 2.039 ( 0.000 0.000 1.718) 1.718 2.134 ( 0.000 0.000 0.932) 0.932 2.175 ( 0.000 0.000 0.821) 0.821 2.298 ( 0.000 0.000 1.322) 1.322 2.360 ( 0.000 0.000 3.290) 3.290 2.389 ( 0.000 0.000 6.705) 6.705 2.582 ( 0.000 0.000 0.503) 0.503 2.673 ( 0.000 0.000 2.293) 2.293 2.818 ( 0.000 0.000 2.880) 2.880 3.174 ( 0.000 0.000 0.885) 0.885 3.360 ( 0.000 0.000 -2.406) 2.406 3.664 ( 0.000 0.000 0.028) 0.028 3.786 ( 0.000 0.000 -2.417) 2.417 3.938 ( 0.000 0.000 -1.586) 1.586 3.951 ( 0.000 0.000 -0.969) 0.969 4.546 ( 0.000 0.000 -3.105) 3.105 4.758 ( 0.000 0.000 -3.303) 3.303 4.899 ( 0.000 0.000 -4.472) 4.472 4.934 ( 0.000 0.000 -3.938) 3.938 5.068 ( 0.000 0.000 6.532) 6.532 5.185 ( 0.000 0.000 1.135) 1.135 5.253 ( 0.000 0.000 2.678) 2.678 5.316 ( 0.000 0.000 2.279) 2.279 5.457 ( 0.000 0.000 1.111) 1.111 5.616 ( 0.000 0.000 -1.203) 1.203 5.674 ( 0.000 0.000 1.077) 1.077 5.715 ( 0.000 0.000 -0.435) 0.435 6.623 ( 0.000 0.000 3.433) 3.433 6.635 ( 0.000 0.000 0.053) 0.053 6.679 ( 0.000 0.000 -0.381) 0.381 6.826 ( 0.000 0.000 1.296) 1.296 6.830 ( 0.000 0.000 5.650) 5.650 6.941 ( 0.000 0.000 0.180) 0.180 6.953 ( 0.000 0.000 -1.293) 1.293 7.012 ( 0.000 0.000 1.053) 1.053 7.287 ( 0.000 0.000 1.731) 1.731 7.318 ( 0.000 0.000 -0.881) 0.881 7.421 ( 0.000 0.000 -0.645) 0.645 7.491 ( 0.000 0.000 0.304) 0.304 8.119 ( 0.000 0.000 -0.401) 0.401 8.183 ( 0.000 0.000 0.243) 0.243 8.222 ( 0.000 0.000 2.505) 2.505 8.366 ( 0.000 0.000 0.321) 0.321 8.670 ( 0.000 0.000 0.591) 0.591 8.686 ( 0.000 0.000 0.999) 0.999 8.777 ( 0.000 0.000 1.058) 1.058 8.792 ( 0.000 0.000 -0.052) 0.052 9.287 ( 0.000 0.000 -2.281) 2.281 9.293 ( 0.000 0.000 -1.172) 1.172 9.488 ( 0.000 0.000 -3.476) 3.476 9.550 ( 0.000 0.000 -2.149) 2.149 9.781 ( 0.000 0.000 -1.143) 1.143 9.877 ( 0.000 0.000 -1.229) 1.229 9.893 ( 0.000 0.000 -2.180) 2.180 9.950 ( 0.000 0.000 -0.949) 0.949 11.717 ( 0.000 0.000 0.808) 0.808 11.759 ( 0.000 0.000 1.529) 1.529 11.799 ( 0.000 0.000 0.258) 0.258 11.820 ( 0.000 0.000 0.737) 0.737 14.909 ( 0.000 0.000 2.283) 2.283 14.924 ( 0.000 0.000 3.796) 3.796 14.981 ( 0.000 0.000 3.117) 3.117 15.036 ( 0.000 0.000 2.108) 2.108 15.232 ( 0.000 0.000 3.518) 3.518 15.496 ( 0.000 0.000 3.163) 3.163 15.640 ( 0.000 0.000 0.431) 0.431 15.719 ( 0.000 0.000 -0.202) 0.202 15.747 ( 0.000 0.000 4.025) 4.025 15.808 ( 0.000 0.000 0.500) 0.500 16.450 ( 0.000 0.000 -2.020) 2.020 16.585 ( 0.000 0.000 -5.067) 5.067 ======================= Grid point 36 (14/60) ======================= q-point: ( 0.25 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 5.98e-04 5.98e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.657 ( 14.209 0.000 14.154) 20.056 0.663 ( 11.691 0.000 18.292) 21.709 1.116 ( 10.707 0.000 28.136) 30.104 1.216 ( 2.428 0.000 5.226) 5.763 1.250 ( -9.703 0.000 8.057) 12.612 1.312 ( -0.841 0.000 2.476) 2.615 1.335 ( -0.098 0.000 1.681) 1.683 1.603 ( -0.539 0.000 2.723) 2.776 1.766 ( 0.432 0.000 0.602) 0.740 1.775 ( 0.789 0.000 -0.540) 0.956 1.854 ( 2.021 0.000 1.146) 2.323 1.944 ( -0.870 0.000 -0.969) 1.302 1.992 ( -0.680 0.000 0.499) 0.843 2.052 ( -4.619 0.000 1.238) 4.782 2.066 ( 2.278 0.000 1.742) 2.867 2.166 ( -3.112 0.000 2.817) 4.198 2.293 ( 0.031 0.000 0.907) 0.907 2.393 ( -0.263 0.000 5.550) 5.556 2.427 ( 6.407 0.000 2.845) 7.010 2.619 ( -5.088 0.000 4.485) 6.782 2.678 ( 8.302 0.000 -0.495) 8.317 2.870 ( 5.198 0.000 1.102) 5.313 3.067 ( -8.804 0.000 -0.594) 8.824 3.273 ( -8.798 0.000 -1.894) 9.000 3.697 ( 3.190 0.000 0.120) 3.192 3.862 ( 4.574 0.000 -5.887) 7.455 3.872 ( -4.252 0.000 -0.333) 4.265 3.968 ( -0.402 0.000 -2.837) 2.866 4.566 ( 2.034 0.000 -2.561) 3.270 4.691 ( -4.004 0.000 0.544) 4.041 4.910 ( 0.758 0.000 -4.620) 4.682 4.940 ( -0.343 0.000 -5.726) 5.736 5.090 ( 2.061 0.000 5.591) 5.959 5.184 ( -1.003 0.000 1.189) 1.556 5.259 ( 0.630 0.000 2.772) 2.843 5.303 ( -1.063 0.000 2.558) 2.770 5.466 ( 1.028 0.000 1.051) 1.471 5.563 ( -3.428 0.000 0.789) 3.517 5.687 ( 0.895 0.000 0.768) 1.179 5.714 ( -0.205 0.000 -0.224) 0.304 6.603 ( -0.728 0.000 2.456) 2.561 6.621 ( -0.927 0.000 0.979) 1.348 6.720 ( 2.762 0.000 0.114) 2.764 6.816 ( -1.412 0.000 0.313) 1.446 6.867 ( 3.067 0.000 5.079) 5.933 6.910 ( -0.755 0.000 2.243) 2.366 6.957 ( 0.383 0.000 -1.172) 1.233 7.020 ( -0.661 0.000 -0.035) 0.662 7.247 ( -2.409 0.000 1.916) 3.078 7.256 ( -3.447 0.000 -0.043) 3.447 7.491 ( 4.270 0.000 -0.898) 4.364 7.545 ( 2.218 0.000 -0.958) 2.416 8.135 ( 1.904 0.000 -0.649) 2.011 8.220 ( 3.244 0.000 0.435) 3.273 8.245 ( -0.548 0.000 -1.872) 1.950 8.355 ( -1.583 0.000 0.039) 1.584 8.668 ( 0.196 0.000 1.953) 1.963 8.683 ( -0.283 0.000 1.210) 1.242 8.785 ( 0.725 0.000 0.844) 1.113 8.804 ( 0.503 0.000 -0.694) 0.858 9.284 ( -0.190 0.000 -2.100) 2.108 9.290 ( -0.263 0.000 -1.339) 1.365 9.497 ( 0.922 0.000 -3.249) 3.378 9.544 ( -0.707 0.000 -2.030) 2.149 9.765 ( -0.730 0.000 -0.627) 0.962 9.851 ( -2.441 0.000 -1.294) 2.762 9.856 ( -0.049 0.000 0.322) 0.326 9.931 ( -1.780 0.000 -0.997) 2.040 11.721 ( 0.218 0.000 0.780) 0.810 11.745 ( -1.003 0.000 1.164) 1.536 11.812 ( 0.815 0.000 0.655) 1.045 11.822 ( 0.171 0.000 0.959) 0.974 14.859 ( -2.512 0.000 7.231) 7.655 14.881 ( -2.507 0.000 4.995) 5.589 15.026 ( 2.584 0.000 1.807) 3.153 15.049 ( 0.781 0.000 0.448) 0.901 15.232 ( 0.340 0.000 4.733) 4.745 15.382 ( -9.738 0.000 10.716) 14.480 15.528 ( 2.877 0.000 3.240) 4.333 15.672 ( -3.159 0.000 4.910) 5.839 15.824 ( 1.395 0.000 0.264) 1.420 15.846 ( 1.818 0.000 -2.229) 2.877 16.544 ( 3.481 0.000 -8.176) 8.886 16.580 ( -0.389 0.000 -5.457) 5.471 ======================= Grid point 37 (15/60) ======================= q-point: (-0.50 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 5.98e-04 5.98e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.862 ( -0.716 0.000 8.712) 8.741 0.862 ( 0.716 0.000 8.712) 8.741 1.065 ( -0.194 0.000 13.456) 13.457 1.065 ( 0.194 0.000 13.456) 13.457 1.320 ( -0.383 0.000 1.588) 1.633 1.320 ( 0.383 0.000 1.588) 1.633 1.504 ( -11.183 0.000 9.371) 14.591 1.504 ( 11.183 0.000 9.371) 14.591 1.773 ( -0.443 0.000 0.838) 0.948 1.773 ( 0.443 0.000 0.838) 0.948 1.910 ( -2.649 0.000 0.390) 2.678 1.910 ( 2.649 0.000 0.390) 2.678 1.984 ( -0.153 0.000 1.795) 1.802 1.984 ( 0.153 0.000 1.795) 1.802 2.116 ( -2.330 0.000 1.958) 3.043 2.116 ( 2.330 0.000 1.958) 3.043 2.339 ( -4.287 0.000 1.863) 4.674 2.339 ( 4.287 0.000 1.863) 4.674 2.521 ( -3.000 0.000 6.334) 7.009 2.521 ( 3.000 0.000 6.334) 7.009 2.878 ( -9.559 0.000 -2.044) 9.775 2.878 ( 9.559 0.000 -2.044) 9.775 3.043 ( -11.851 0.000 -0.978) 11.891 3.043 ( 11.851 0.000 -0.978) 11.891 3.780 ( -4.630 0.000 0.072) 4.631 3.780 ( 4.630 0.000 0.072) 4.631 3.935 ( -2.421 0.000 -4.733) 5.316 3.935 ( 2.421 0.000 -4.733) 5.316 4.621 ( -2.837 0.000 -0.795) 2.946 4.621 ( 2.837 0.000 -0.795) 2.946 4.925 ( -0.276 0.000 -5.180) 5.188 4.925 ( 0.276 0.000 -5.180) 5.188 5.142 ( -2.687 0.000 3.420) 4.349 5.142 ( 2.687 0.000 3.420) 4.349 5.279 ( -0.749 0.000 2.684) 2.787 5.279 ( 0.749 0.000 2.684) 2.787 5.502 ( -2.429 0.000 1.038) 2.641 5.502 ( 2.429 0.000 1.038) 2.641 5.705 ( -0.283 0.000 0.212) 0.353 5.705 ( 0.283 0.000 0.212) 0.353 6.604 ( -0.279 0.000 1.677) 1.700 6.604 ( 0.279 0.000 1.677) 1.700 6.774 ( -1.391 0.000 0.155) 1.400 6.774 ( 1.391 0.000 0.155) 1.400 6.908 ( -0.023 0.000 2.458) 2.458 6.908 ( 0.023 0.000 2.458) 2.458 6.984 ( -1.956 0.000 0.267) 1.974 6.984 ( 1.956 0.000 0.267) 1.974 7.219 ( -0.002 0.000 1.172) 1.172 7.219 ( 0.002 0.000 1.172) 1.172 7.552 ( -1.430 0.000 -0.729) 1.605 7.552 ( 1.430 0.000 -0.729) 1.605 8.194 ( -3.232 0.000 -1.465) 3.548 8.194 ( 3.232 0.000 -1.465) 3.548 8.295 ( -3.773 0.000 0.532) 3.810 8.295 ( 3.773 0.000 0.532) 3.810 8.676 ( -0.237 0.000 1.778) 1.794 8.676 ( 0.237 0.000 1.778) 1.794 8.801 ( -0.152 0.000 0.174) 0.231 8.801 ( 0.152 0.000 0.174) 0.231 9.284 ( -0.083 0.000 -1.736) 1.738 9.284 ( 0.083 0.000 -1.736) 1.738 9.521 ( -1.003 0.000 -2.591) 2.778 9.521 ( 1.003 0.000 -2.591) 2.778 9.792 ( -1.950 0.000 -1.368) 2.382 9.792 ( 1.950 0.000 -1.368) 2.382 9.887 ( -1.150 0.000 -0.660) 1.326 9.887 ( 1.150 0.000 -0.660) 1.326 11.728 ( -0.479 0.000 0.957) 1.070 11.728 ( 0.479 0.000 0.957) 1.070 11.823 ( -0.185 0.000 0.898) 0.917 11.823 ( 0.185 0.000 0.898) 0.917 14.845 ( -0.289 0.000 6.805) 6.812 14.845 ( 0.289 0.000 6.805) 6.812 15.057 ( -0.012 0.000 0.272) 0.272 15.057 ( 0.012 0.000 0.272) 0.272 15.265 ( -0.813 0.000 7.586) 7.629 15.265 ( 0.813 0.000 7.586) 7.629 15.598 ( -3.759 0.000 3.786) 5.335 15.598 ( 3.759 0.000 3.786) 5.335 15.851 ( -0.598 0.000 -0.475) 0.764 15.851 ( 0.598 0.000 -0.475) 0.764 16.573 ( -0.171 0.000 -6.683) 6.686 16.573 ( 0.171 0.000 -6.683) 6.686 ======================= Grid point 40 (16/60) ======================= q-point: ( 0.00 0.14 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 5.98e-04 5.98e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.614 ( 0.000 14.700 14.569) 20.696 0.734 ( 0.000 12.971 20.672) 24.405 1.168 ( 0.000 23.980 26.047) 35.404 1.324 ( 0.000 6.079 2.920) 6.744 1.386 ( 0.000 4.704 1.919) 5.080 1.392 ( 0.000 6.718 1.632) 6.913 1.421 ( 0.000 4.441 7.891) 9.055 1.596 ( 0.000 0.457 -0.760) 0.887 1.757 ( 0.000 -0.342 0.070) 0.349 1.757 ( 0.000 0.225 0.790) 0.821 1.870 ( 0.000 3.254 1.062) 3.423 1.937 ( 0.000 -1.052 -1.970) 2.234 1.990 ( 0.000 -0.959 0.878) 1.300 2.057 ( 0.000 0.663 1.118) 1.300 2.157 ( 0.000 3.092 1.898) 3.628 2.177 ( 0.000 0.049 1.325) 1.326 2.292 ( 0.000 -0.102 1.315) 1.319 2.352 ( 0.000 -0.686 3.356) 3.425 2.389 ( 0.000 0.118 6.470) 6.471 2.610 ( 0.000 3.044 0.528) 3.090 2.678 ( 0.000 0.264 2.538) 2.552 2.825 ( 0.000 0.836 1.817) 2.000 3.170 ( 0.000 -0.368 0.708) 0.798 3.355 ( 0.000 -0.622 -2.122) 2.211 3.660 ( 0.000 -0.004 0.352) 0.352 3.796 ( 0.000 1.086 -2.316) 2.557 3.942 ( 0.000 -0.819 -0.756) 1.115 3.968 ( 0.000 2.523 -2.323) 3.430 4.556 ( 0.000 1.062 -2.816) 3.010 4.687 ( 0.000 -2.917 0.410) 2.946 4.904 ( 0.000 -1.365 -5.005) 5.188 4.912 ( 0.000 -1.946 -2.678) 3.310 5.094 ( 0.000 2.310 5.274) 5.758 5.202 ( 0.000 1.842 1.285) 2.246 5.266 ( 0.000 -0.118 1.417) 1.422 5.310 ( 0.000 -0.418 2.132) 2.172 5.425 ( 0.000 -3.307 1.120) 3.492 5.539 ( 0.000 -5.096 0.178) 5.099 5.671 ( 0.000 -0.145 0.983) 0.993 5.765 ( 0.000 2.506 -0.944) 2.678 6.591 ( 0.000 -2.761 0.620) 2.829 6.633 ( 0.000 0.635 2.889) 2.958 6.687 ( 0.000 -0.472 0.073) 0.478 6.773 ( 0.000 -4.163 2.025) 4.629 6.842 ( 0.000 1.222 5.483) 5.617 6.927 ( 0.000 -0.099 1.516) 1.519 6.964 ( 0.000 0.540 -1.247) 1.359 7.028 ( 0.000 1.169 0.656) 1.341 7.242 ( 0.000 -2.567 1.184) 2.827 7.362 ( 0.000 2.870 -0.156) 2.875 7.368 ( 0.000 -4.467 0.241) 4.473 7.508 ( 0.000 0.902 -0.127) 0.911 8.113 ( 0.000 -0.492 -0.265) 0.559 8.179 ( 0.000 -0.826 -1.538) 1.746 8.230 ( 0.000 0.790 2.217) 2.353 8.361 ( 0.000 -0.395 0.342) 0.522 8.594 ( 0.000 -1.899 0.893) 2.098 8.726 ( 0.000 -2.768 0.434) 2.802 8.773 ( 0.000 3.742 1.025) 3.880 8.840 ( 0.000 2.599 0.545) 2.655 9.252 ( 0.000 -3.079 -2.290) 3.838 9.281 ( 0.000 -2.177 -1.864) 2.866 9.477 ( 0.000 -1.130 -3.107) 3.306 9.565 ( 0.000 0.751 -1.594) 1.762 9.791 ( 0.000 1.227 -1.094) 1.644 9.794 ( 0.000 -4.002 1.345) 4.222 9.914 ( 0.000 3.129 -1.447) 3.447 9.989 ( 0.000 2.058 -1.825) 2.750 11.717 ( 0.000 0.002 0.730) 0.730 11.754 ( 0.000 -0.529 1.454) 1.547 11.801 ( 0.000 -1.139 0.850) 1.421 11.811 ( 0.000 -0.402 -0.662) 0.774 14.820 ( 0.000 -3.110 6.044) 6.797 14.904 ( 0.000 -1.516 4.099) 4.370 15.022 ( 0.000 0.518 3.949) 3.983 15.043 ( 0.000 0.182 1.902) 1.911 15.142 ( 0.000 -4.096 5.635) 6.966 15.460 ( 0.000 -3.613 2.836) 4.593 15.631 ( 0.000 -6.474 0.863) 6.531 15.681 ( 0.000 -2.558 4.944) 5.567 15.816 ( 0.000 7.463 -5.361) 9.188 15.876 ( 0.000 4.583 -0.157) 4.585 16.468 ( 0.000 1.759 -2.245) 2.852 16.610 ( 0.000 0.577 -7.370) 7.392 ======================= Grid point 41 (17/60) ======================= q-point: ( 0.25 0.14 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 5.98e-04 5.98e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.722 ( 10.953 10.121 13.043) 19.812 0.834 ( 8.688 10.872 17.963) 22.723 1.233 ( -5.443 7.284 10.866) 14.169 1.292 ( -7.362 4.515 7.372) 11.355 1.360 ( 9.527 14.112 12.497) 21.121 1.388 ( -0.255 7.347 0.769) 7.392 1.407 ( 0.897 6.898 1.799) 7.185 1.616 ( 0.400 1.548 2.178) 2.702 1.751 ( 0.192 -0.956 0.311) 1.023 1.771 ( 0.043 -0.294 0.218) 0.368 1.884 ( 1.447 2.515 1.067) 3.091 1.936 ( -0.278 -0.545 -1.431) 1.557 1.976 ( -1.254 -1.197 1.397) 2.226 2.049 ( -1.307 0.630 1.554) 2.126 2.121 ( 0.663 3.938 2.873) 4.920 2.183 ( -1.464 2.165 2.125) 3.368 2.290 ( 0.503 -0.175 1.223) 1.334 2.392 ( 1.068 0.378 5.290) 5.410 2.445 ( 5.645 0.965 2.878) 6.410 2.616 ( -2.051 0.465 3.754) 4.303 2.702 ( 4.918 2.107 0.518) 5.375 2.866 ( 4.520 -0.104 0.820) 4.595 3.066 ( -8.671 0.147 -0.194) 8.675 3.265 ( -8.806 -0.819 -1.833) 9.032 3.695 ( 3.260 0.111 0.353) 3.281 3.830 ( 0.878 -1.184 -2.559) 2.953 3.907 ( -1.141 1.825 -1.586) 2.673 3.973 ( -0.583 0.635 -2.876) 3.002 4.574 ( 1.689 0.720 -2.481) 3.086 4.667 ( -1.680 -1.115 0.302) 2.039 4.889 ( -0.267 -2.170 -3.976) 4.537 4.927 ( 0.108 -1.626 -4.484) 4.771 5.115 ( 1.939 2.242 4.645) 5.510 5.197 ( -0.753 1.668 1.477) 2.351 5.255 ( -0.810 -0.890 2.663) 2.922 5.291 ( -1.353 -1.258 1.907) 2.655 5.446 ( 1.768 -2.080 1.154) 2.964 5.525 ( -1.336 -3.129 0.571) 3.450 5.678 ( 0.775 -0.490 0.185) 0.935 5.749 ( -1.295 2.071 -0.252) 2.455 6.594 ( 0.135 -1.439 0.950) 1.730 6.622 ( -0.397 0.496 2.258) 2.346 6.705 ( 1.079 -1.726 0.300) 2.058 6.777 ( 0.091 -3.170 1.895) 3.694 6.867 ( 1.807 0.436 4.737) 5.089 6.913 ( 0.064 0.742 1.127) 1.351 6.971 ( 0.175 0.432 -0.905) 1.018 7.019 ( -1.165 0.392 0.849) 1.494 7.222 ( -1.349 -1.585 1.097) 2.352 7.262 ( -3.899 -0.240 0.922) 4.013 7.472 ( 4.628 -1.552 -0.567) 4.914 7.544 ( 1.675 -0.389 -0.893) 1.937 8.129 ( 1.674 -0.576 -0.483) 1.835 8.204 ( 2.706 -1.359 0.196) 3.035 8.238 ( -0.728 -0.485 -0.439) 0.978 8.342 ( -2.035 -1.006 0.427) 2.310 8.608 ( 1.651 -1.774 1.477) 2.838 8.701 ( -1.942 -0.912 1.062) 2.394 8.790 ( 1.026 1.646 0.092) 1.942 8.846 ( 0.300 2.597 0.673) 2.699 9.251 ( -0.061 -2.971 -2.066) 3.619 9.272 ( -0.723 -2.193 -1.625) 2.824 9.486 ( 0.865 -1.139 -2.930) 3.260 9.547 ( -1.595 -0.304 -1.485) 2.200 9.764 ( 0.235 0.776 -0.386) 0.898 9.823 ( 0.561 -0.647 -0.351) 0.925 9.903 ( -0.829 3.414 -1.834) 3.963 9.969 ( -1.646 2.573 -1.472) 3.390 11.720 ( 0.225 -0.056 0.728) 0.764 11.744 ( -0.792 -0.238 1.063) 1.347 11.806 ( 0.414 -1.118 0.930) 1.512 11.813 ( 0.162 -0.561 0.179) 0.610 14.818 ( 0.104 -1.662 6.155) 6.376 14.887 ( -1.623 -0.263 5.578) 5.815 14.989 ( -0.750 -1.476 1.758) 2.415 15.092 ( 2.104 -0.375 3.972) 4.510 15.158 ( 1.496 -2.338 3.602) 4.547 15.426 ( -4.603 -1.233 4.880) 6.820 15.550 ( -1.822 0.717 2.619) 3.270 15.645 ( -3.021 -2.684 4.422) 5.990 15.831 ( 1.900 2.886 -1.833) 3.911 15.891 ( 0.234 3.369 -0.721) 3.453 16.517 ( 2.879 -0.674 -4.750) 5.595 16.598 ( -1.195 0.217 -6.902) 7.008 ======================= Grid point 42 (18/60) ======================= q-point: (-0.50 0.14 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 5.98e-04 5.98e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.931 ( 0.000 7.640 7.285) 10.556 0.985 ( 0.000 9.347 9.843) 13.574 1.111 ( -0.000 5.392 13.205) 14.264 1.128 ( 0.000 4.486 12.357) 13.146 1.384 ( 0.000 5.995 0.414) 6.009 1.406 ( 0.000 6.930 1.566) 7.104 1.565 ( -0.000 6.399 6.043) 8.801 1.570 ( 0.000 5.704 6.144) 8.383 1.753 ( 0.000 -1.250 0.927) 1.556 1.763 ( 0.000 -1.140 0.716) 1.346 1.904 ( 0.000 -0.257 -0.213) 0.334 1.930 ( 0.000 0.644 0.328) 0.723 1.964 ( 0.000 -0.158 0.845) 0.859 2.031 ( 0.000 3.363 3.128) 4.593 2.154 ( 0.000 3.788 2.581) 4.584 2.158 ( 0.000 3.812 1.582) 4.127 2.328 ( 0.000 -0.511 2.163) 2.223 2.362 ( 0.000 2.060 4.240) 4.714 2.520 ( 0.000 0.700 4.721) 4.772 2.566 ( 0.000 3.511 6.458) 7.350 2.845 ( -0.000 -1.338 -1.897) 2.321 2.886 ( 0.000 -0.353 0.153) 0.384 3.036 ( -0.000 -0.215 -1.574) 1.588 3.047 ( 0.000 0.223 -1.261) 1.280 3.772 ( -0.000 -0.325 -0.251) 0.411 3.782 ( 0.000 -0.064 0.304) 0.311 3.928 ( 0.000 0.221 -3.915) 3.922 3.949 ( 0.000 1.048 -3.327) 3.488 4.606 ( 0.000 -0.655 -1.290) 1.447 4.638 ( 0.000 1.151 -0.921) 1.474 4.888 ( 0.000 -2.703 -4.982) 5.669 4.924 ( 0.000 -1.354 -3.909) 4.137 5.159 ( 0.000 1.956 3.629) 4.122 5.166 ( -0.000 1.852 2.675) 3.253 5.251 ( 0.000 -1.823 2.710) 3.266 5.271 ( 0.000 -1.495 2.115) 2.590 5.486 ( -0.000 -1.236 1.247) 1.756 5.489 ( 0.000 -1.645 0.726) 1.798 5.694 ( 0.000 -0.541 -1.128) 1.251 5.728 ( 0.000 1.287 0.823) 1.528 6.595 ( 0.000 -0.518 1.210) 1.316 6.620 ( 0.000 0.621 1.961) 2.057 6.718 ( 0.000 -3.458 0.396) 3.481 6.775 ( 0.000 -1.638 1.923) 2.526 6.883 ( 0.000 0.452 1.438) 1.507 6.936 ( 0.000 -0.583 2.692) 2.754 6.973 ( 0.000 0.969 0.323) 1.021 6.990 ( 0.000 -0.027 0.608) 0.609 7.205 ( 0.000 -0.968 1.017) 1.404 7.223 ( 0.000 0.045 1.247) 1.248 7.537 ( -0.000 -1.655 -1.227) 2.061 7.545 ( 0.000 -0.864 -0.384) 0.946 8.171 ( -0.000 -1.528 -1.107) 1.887 8.198 ( 0.000 -0.215 -0.525) 0.567 8.274 ( 0.000 -1.567 0.574) 1.669 8.284 ( -0.000 -1.238 0.868) 1.512 8.649 ( -0.000 -1.333 0.758) 1.533 8.661 ( 0.000 -0.822 2.096) 2.251 8.802 ( 0.000 0.971 -0.555) 1.119 8.848 ( 0.000 2.718 1.109) 2.935 9.253 ( 0.000 -2.708 -1.794) 3.248 9.261 ( 0.000 -2.383 -1.747) 2.955 9.505 ( 0.000 -1.116 -2.591) 2.821 9.519 ( 0.000 -0.989 -1.850) 2.097 9.790 ( -0.000 1.557 -1.038) 1.871 9.810 ( 0.000 0.318 -0.798) 0.859 9.898 ( 0.000 2.726 -2.324) 3.582 9.945 ( 0.000 3.326 -0.946) 3.458 11.725 ( 0.000 -0.212 0.738) 0.768 11.732 ( 0.000 0.149 0.926) 0.938 11.813 ( 0.000 -0.906 0.997) 1.348 11.814 ( 0.000 -0.964 0.566) 1.117 14.823 ( 0.000 -0.851 5.568) 5.633 14.863 ( 0.000 0.872 6.903) 6.958 14.985 ( 0.000 -2.727 0.997) 2.904 15.113 ( 0.000 -1.907 4.851) 5.212 15.183 ( 0.000 -0.018 1.539) 1.539 15.357 ( 0.000 2.346 7.040) 7.421 15.566 ( 0.000 -2.943 2.468) 3.841 15.591 ( -0.000 -1.117 4.046) 4.197 15.864 ( 0.000 1.847 -1.193) 2.199 15.884 ( 0.000 2.848 -0.204) 2.855 16.557 ( 0.000 -0.813 -6.275) 6.327 16.571 ( 0.000 -0.314 -5.653) 5.662 ======================= Grid point 45 (19/60) ======================= q-point: ( 0.00 0.29 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 5.98e-04 5.98e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.934 ( 0.000 17.350 7.849) 19.042 0.994 ( 0.000 14.692 14.290) 20.495 1.411 ( 0.000 2.394 5.575) 6.067 1.454 ( 0.000 1.675 0.732) 1.828 1.468 ( 0.000 3.195 4.463) 5.489 1.559 ( 0.000 4.137 3.652) 5.519 1.579 ( 0.000 7.289 1.046) 7.364 1.651 ( 0.000 10.930 2.918) 11.313 1.758 ( 0.000 0.169 1.334) 1.345 1.781 ( 0.000 1.991 1.310) 2.383 1.915 ( 0.000 -0.914 -2.584) 2.741 1.921 ( 0.000 0.934 0.150) 0.946 2.013 ( 0.000 4.817 5.217) 7.100 2.055 ( 0.000 -0.246 1.921) 1.937 2.171 ( 0.000 0.254 3.677) 3.686 2.234 ( 0.000 3.491 2.755) 4.447 2.306 ( 0.000 1.414 1.255) 1.891 2.347 ( 0.000 0.480 2.812) 2.853 2.411 ( 0.000 2.745 6.058) 6.651 2.668 ( 0.000 -1.582 3.540) 3.877 2.694 ( 0.000 5.470 0.494) 5.492 2.854 ( 0.000 1.888 -0.125) 1.893 3.170 ( 0.000 0.720 0.466) 0.857 3.328 ( 0.000 -2.375 -1.323) 2.718 3.676 ( 0.000 1.826 0.640) 1.935 3.822 ( 0.000 0.919 -1.745) 1.973 3.929 ( 0.000 0.096 -0.715) 0.722 4.014 ( 0.000 1.793 -2.579) 3.141 4.586 ( 0.000 2.061 -1.950) 2.837 4.674 ( 0.000 0.998 -1.032) 1.436 4.848 ( 0.000 -3.984 -3.178) 5.096 4.870 ( 0.000 -2.251 -2.094) 3.074 5.144 ( 0.000 2.610 4.280) 5.013 5.239 ( 0.000 -1.886 1.558) 2.446 5.250 ( 0.000 2.037 1.332) 2.434 5.300 ( 0.000 -1.677 2.139) 2.718 5.344 ( 0.000 -3.756 1.429) 4.019 5.446 ( 0.000 -3.816 0.323) 3.830 5.675 ( 0.000 0.764 0.573) 0.955 5.790 ( 0.000 -0.136 -0.600) 0.615 6.542 ( 0.000 -2.271 1.338) 2.635 6.611 ( 0.000 -3.405 2.258) 4.085 6.674 ( 0.000 -0.155 0.491) 0.515 6.721 ( 0.000 -0.574 2.476) 2.542 6.874 ( 0.000 2.036 4.881) 5.289 6.947 ( 0.000 1.710 0.612) 1.816 6.969 ( 0.000 0.002 -0.747) 0.747 7.038 ( 0.000 -0.410 0.065) 0.415 7.198 ( 0.000 -1.879 1.330) 2.301 7.272 ( 0.000 -5.011 1.585) 5.256 7.419 ( 0.000 2.932 -0.473) 2.970 7.515 ( 0.000 -0.177 -0.467) 0.500 8.104 ( 0.000 -0.340 0.100) 0.354 8.151 ( 0.000 -1.792 -1.049) 2.077 8.251 ( 0.000 1.428 1.597) 2.142 8.349 ( 0.000 -1.007 0.235) 1.034 8.589 ( 0.000 0.957 0.434) 1.051 8.682 ( 0.000 -1.812 0.243) 1.828 8.838 ( 0.000 3.042 0.621) 3.104 8.882 ( 0.000 1.642 0.536) 1.727 9.192 ( 0.000 -2.723 -2.237) 3.524 9.222 ( 0.000 -3.315 -1.501) 3.639 9.452 ( 0.000 -1.094 -2.436) 2.670 9.540 ( 0.000 -3.043 -0.913) 3.177 9.789 ( 0.000 2.196 -0.645) 2.289 9.823 ( 0.000 1.763 -1.211) 2.139 9.976 ( 0.000 2.977 -1.587) 3.374 10.023 ( 0.000 1.368 -1.810) 2.269 11.719 ( 0.000 0.170 0.595) 0.618 11.743 ( 0.000 -0.443 1.227) 1.304 11.770 ( 0.000 -1.750 0.933) 1.984 11.793 ( 0.000 -1.481 -0.308) 1.513 14.808 ( 0.000 1.196 4.315) 4.478 14.879 ( 0.000 -0.930 4.347) 4.446 14.995 ( 0.000 -2.564 6.319) 6.819 15.027 ( 0.000 -1.918 1.958) 2.741 15.110 ( 0.000 0.385 2.325) 2.356 15.363 ( 0.000 -6.254 1.880) 6.531 15.514 ( 0.000 -4.778 2.389) 5.342 15.602 ( 0.000 -4.973 4.169) 6.489 15.940 ( 0.000 5.224 -3.124) 6.087 15.960 ( 0.000 3.884 -0.528) 3.920 16.510 ( 0.000 2.319 -2.702) 3.561 16.599 ( 0.000 -1.208 -5.725) 5.851 ======================= Grid point 46 (20/60) ======================= q-point: ( 0.25 0.29 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 5.98e-04 5.98e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.971 ( 5.099 14.181 8.299) 17.204 1.069 ( 6.212 13.245 13.437) 19.864 1.337 ( -7.634 4.113 5.935) 10.508 1.371 ( -4.757 3.184 5.706) 8.082 1.491 ( 0.033 2.690 1.605) 3.133 1.527 ( -2.067 3.672 1.930) 4.635 1.611 ( 2.490 3.826 2.067) 5.011 1.687 ( 1.134 6.733 1.178) 6.929 1.745 ( -0.005 0.815 1.663) 1.852 1.790 ( 0.110 2.854 1.327) 3.150 1.896 ( -0.539 -0.810 -1.629) 1.898 1.931 ( -0.038 -0.043 -1.025) 1.027 1.988 ( -1.080 1.930 2.402) 3.265 2.088 ( 1.491 3.212 4.933) 6.073 2.184 ( 2.357 3.181 3.984) 5.617 2.254 ( 0.230 3.993 1.004) 4.124 2.293 ( 0.967 0.905 2.684) 2.993 2.421 ( 1.649 2.749 6.237) 7.013 2.443 ( 5.539 -0.633 1.444) 5.759 2.647 ( -0.937 1.562 4.723) 5.062 2.747 ( 4.496 3.050 0.554) 5.461 2.880 ( 3.085 1.640 -0.095) 3.495 3.084 ( -7.515 1.892 0.190) 7.752 3.241 ( -8.070 -1.668 -1.347) 8.350 3.710 ( 2.993 1.525 0.491) 3.395 3.823 ( -0.646 -0.086 -1.210) 1.374 3.934 ( 0.529 1.250 -1.442) 1.980 3.997 ( -1.410 1.506 -2.459) 3.210 4.595 ( 0.827 1.652 -2.067) 2.772 4.671 ( -0.241 1.339 -1.060) 1.725 4.831 ( -0.855 -3.678 -3.231) 4.969 4.880 ( 0.260 -2.798 -2.243) 3.596 5.153 ( 0.810 0.847 3.933) 4.104 5.214 ( -1.949 -2.670 2.556) 4.179 5.247 ( -0.373 2.494 1.760) 3.075 5.265 ( -1.414 -1.156 0.856) 2.017 5.400 ( 3.370 -2.070 1.613) 4.271 5.460 ( 0.845 -3.024 0.610) 3.198 5.673 ( -0.038 0.029 -0.322) 0.326 5.769 ( -1.784 -0.164 -0.084) 1.794 6.553 ( 0.896 -2.472 1.280) 2.925 6.606 ( -0.351 -3.070 2.464) 3.952 6.673 ( 0.036 -0.270 0.423) 0.503 6.738 ( 1.080 -0.583 2.674) 2.943 6.886 ( 1.124 1.361 4.096) 4.460 6.936 ( -0.763 1.389 -0.327) 1.618 6.975 ( 0.524 0.322 0.173) 0.639 7.029 ( -1.033 0.287 0.665) 1.262 7.191 ( -0.640 -1.691 1.135) 2.135 7.241 ( -2.036 -1.963 1.741) 3.321 7.451 ( 2.590 -0.316 -0.581) 2.673 7.527 ( 0.344 -1.292 -0.624) 1.475 8.117 ( 1.273 -0.550 -0.165) 1.396 8.173 ( 1.983 -1.725 0.046) 2.629 8.240 ( -1.070 0.799 0.829) 1.572 8.321 ( -2.581 -1.143 0.477) 2.863 8.606 ( 1.732 1.106 0.716) 2.176 8.681 ( -0.417 -0.873 0.515) 1.096 8.830 ( -0.494 2.143 -0.403) 2.236 8.889 ( 0.389 1.792 1.098) 2.137 9.192 ( 0.145 -2.643 -2.069) 3.359 9.217 ( -0.411 -2.946 -1.661) 3.407 9.460 ( 0.724 -1.299 -2.242) 2.690 9.518 ( -1.721 -2.452 -1.127) 3.201 9.800 ( 1.201 2.453 -0.953) 2.893 9.835 ( 0.642 1.347 -1.124) 1.868 9.965 ( -0.980 2.723 -2.152) 3.607 10.012 ( -0.862 1.825 -1.502) 2.516 11.720 ( 0.069 0.008 0.530) 0.535 11.738 ( -0.351 -0.210 0.959) 1.042 11.777 ( 0.616 -1.615 0.900) 1.949 11.793 ( -0.021 -1.459 0.156) 1.467 14.811 ( 0.230 0.507 3.958) 3.997 14.882 ( 0.177 0.056 5.390) 5.394 14.964 ( -1.662 -1.193 3.165) 3.768 15.037 ( 0.400 -3.380 5.564) 6.522 15.151 ( 2.955 -0.113 0.514) 3.001 15.360 ( -0.361 -4.636 3.550) 5.850 15.503 ( -0.913 -4.026 2.032) 4.601 15.576 ( -2.131 -4.349 3.967) 6.260 15.920 ( -0.715 4.868 -2.103) 5.351 15.961 ( -0.392 3.571 -0.427) 3.617 16.527 ( 1.394 1.322 -3.694) 4.164 16.589 ( -0.927 -0.760 -5.376) 5.508 ======================= Grid point 47 (21/60) ======================= q-point: (-0.50 0.29 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 5.98e-04 5.98e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.101 ( 0.000 9.368 6.193) 11.230 1.169 ( -0.000 8.310 7.835) 11.421 1.225 ( 0.000 6.335 10.695) 12.430 1.249 ( -0.000 8.191 11.411) 14.047 1.481 ( 0.000 2.509 0.775) 2.626 1.508 ( 0.000 1.934 2.238) 2.958 1.658 ( 0.000 1.078 0.473) 1.177 1.664 ( -0.000 1.865 0.703) 1.993 1.771 ( 0.000 3.320 0.743) 3.402 1.779 ( -0.000 4.913 2.166) 5.369 1.894 ( 0.000 -0.625 -1.442) 1.572 1.927 ( 0.000 -0.165 -0.377) 0.412 1.981 ( 0.000 1.308 0.670) 1.470 2.099 ( 0.000 3.283 4.987) 5.971 2.223 ( 0.000 1.814 0.106) 1.817 2.247 ( 0.000 5.334 2.655) 5.958 2.319 ( 0.000 -0.207 3.350) 3.357 2.431 ( 0.000 4.926 7.207) 8.730 2.517 ( 0.000 -1.945 0.653) 2.052 2.639 ( 0.000 3.103 6.894) 7.560 2.868 ( -0.000 4.259 0.509) 4.289 2.885 ( 0.000 1.166 1.507) 1.905 3.041 ( 0.000 0.729 -1.840) 1.979 3.053 ( -0.000 0.389 -1.598) 1.644 3.774 ( 0.000 0.558 -0.360) 0.664 3.785 ( 0.000 0.491 0.402) 0.635 3.946 ( 0.000 1.430 -2.953) 3.281 3.976 ( 0.000 1.494 -1.795) 2.335 4.608 ( 0.000 1.098 -2.012) 2.292 4.667 ( 0.000 1.854 -1.215) 2.217 4.822 ( 0.000 -4.002 -3.956) 5.627 4.880 ( 0.000 -2.668 -1.823) 3.231 5.168 ( 0.000 -3.010 4.135) 5.115 5.185 ( 0.000 -0.829 2.994) 3.106 5.242 ( 0.000 2.252 1.806) 2.887 5.250 ( 0.000 0.348 0.268) 0.439 5.454 ( -0.000 -1.909 1.905) 2.697 5.455 ( 0.000 -1.288 0.745) 1.488 5.677 ( 0.000 -1.229 -2.052) 2.392 5.742 ( 0.000 0.006 1.098) 1.098 6.565 ( 0.000 -2.643 1.046) 2.843 6.602 ( 0.000 -2.985 2.860) 4.134 6.674 ( 0.000 -0.242 0.411) 0.477 6.749 ( 0.000 -0.350 3.037) 3.057 6.914 ( -0.000 2.212 0.966) 2.414 6.916 ( 0.000 -0.861 1.083) 1.384 6.990 ( 0.000 0.013 0.734) 0.734 7.005 ( 0.000 1.859 1.519) 2.401 7.181 ( 0.000 -1.494 0.989) 1.792 7.220 ( 0.000 -0.478 1.732) 1.797 7.492 ( 0.000 -2.582 -1.371) 2.924 7.519 ( 0.000 -1.642 -0.015) 1.642 8.142 ( 0.000 -1.325 -0.447) 1.398 8.190 ( 0.000 -0.631 0.911) 1.108 8.249 ( 0.000 -0.815 0.249) 0.852 8.265 ( -0.000 -0.487 0.812) 0.947 8.642 ( -0.000 0.354 0.017) 0.355 8.663 ( 0.000 0.888 1.740) 1.953 8.825 ( 0.000 1.247 -1.361) 1.846 8.893 ( 0.000 1.834 1.551) 2.402 9.197 ( 0.000 -2.694 -1.886) 3.289 9.210 ( 0.000 -2.495 -1.888) 3.129 9.476 ( 0.000 -1.804 -2.101) 2.769 9.490 ( 0.000 -1.700 -1.300) 2.140 9.826 ( -0.000 1.247 -1.329) 1.822 9.834 ( 0.000 2.469 -0.807) 2.597 9.950 ( 0.000 2.273 -2.960) 3.732 10.001 ( 0.000 2.415 -1.058) 2.637 11.720 ( 0.000 -0.179 0.455) 0.489 11.734 ( 0.000 0.115 0.809) 0.817 11.788 ( 0.000 -1.562 0.332) 1.597 11.790 ( 0.000 -1.433 1.039) 1.770 14.814 ( 0.000 -0.238 3.587) 3.595 14.884 ( 0.000 1.412 6.602) 6.752 14.946 ( 0.000 -1.317 2.062) 2.447 15.041 ( 0.000 -3.812 6.141) 7.228 15.188 ( 0.000 -0.823 -1.045) 1.330 15.353 ( 0.000 -1.855 6.254) 6.523 15.491 ( 0.000 -4.453 0.989) 4.561 15.547 ( 0.000 -3.445 3.919) 5.218 15.919 ( 0.000 3.424 -1.700) 3.823 15.952 ( 0.000 3.724 -0.059) 3.724 16.551 ( 0.000 0.151 -5.206) 5.208 16.570 ( 0.000 0.220 -4.288) 4.293 ======================= Grid point 50 (22/60) ======================= q-point: ( 0.00 0.43 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 5.98e-04 5.98e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.242 ( 0.000 13.376 4.128) 13.999 1.257 ( 0.000 10.974 8.011) 13.587 1.421 ( 0.000 -1.389 5.742) 5.907 1.463 ( 0.000 -1.242 1.352) 1.836 1.497 ( 0.000 -0.487 2.245) 2.297 1.503 ( 0.000 -5.278 1.128) 5.398 1.665 ( 0.000 2.706 1.446) 3.068 1.725 ( 0.000 -3.110 1.955) 3.674 1.785 ( 0.000 2.050 -0.383) 2.085 1.800 ( 0.000 -0.098 0.974) 0.979 1.925 ( 0.000 1.617 -2.304) 2.815 1.938 ( 0.000 0.648 -1.413) 1.554 2.058 ( 0.000 0.449 3.556) 3.584 2.065 ( 0.000 -0.034 4.532) 4.532 2.235 ( 0.000 3.999 4.951) 6.364 2.267 ( 0.000 0.173 2.891) 2.896 2.339 ( 0.000 1.814 1.812) 2.564 2.359 ( 0.000 0.035 2.220) 2.220 2.507 ( 0.000 6.608 7.154) 9.739 2.615 ( 0.000 -4.084 5.381) 6.755 2.805 ( 0.000 5.383 -0.032) 5.383 2.871 ( 0.000 -0.961 -0.608) 1.137 3.204 ( 0.000 2.745 0.140) 2.748 3.268 ( 0.000 -3.587 -0.381) 3.607 3.729 ( 0.000 3.513 0.552) 3.556 3.798 ( 0.000 -3.141 -0.160) 3.145 3.968 ( 0.000 3.328 -1.736) 3.753 4.020 ( 0.000 -1.422 -2.345) 2.743 4.637 ( 0.000 3.234 -1.377) 3.515 4.692 ( 0.000 -0.956 -2.008) 2.224 4.788 ( 0.000 -0.320 -1.827) 1.855 4.826 ( 0.000 -2.486 -2.420) 3.469 5.188 ( 0.000 1.934 3.999) 4.442 5.208 ( 0.000 -1.275 1.533) 1.994 5.218 ( 0.000 -2.403 0.454) 2.446 5.239 ( 0.000 -3.291 1.977) 3.839 5.360 ( 0.000 3.092 2.097) 3.736 5.404 ( 0.000 -1.501 1.568) 2.171 5.705 ( 0.000 2.357 -0.027) 2.357 5.759 ( 0.000 -2.753 -0.413) 2.784 6.515 ( 0.000 -0.216 2.426) 2.436 6.541 ( 0.000 -2.920 2.756) 4.015 6.690 ( 0.000 1.574 0.342) 1.611 6.716 ( 0.000 -0.727 1.089) 1.309 6.918 ( 0.000 2.485 3.818) 4.556 6.959 ( 0.000 -1.313 1.243) 1.808 6.980 ( 0.000 1.648 -0.630) 1.764 7.013 ( 0.000 -1.841 -0.666) 1.958 7.176 ( 0.000 -0.255 2.003) 2.019 7.196 ( 0.000 -2.531 2.470) 3.536 7.470 ( 0.000 2.215 -0.776) 2.347 7.502 ( 0.000 -1.180 -0.759) 1.403 8.104 ( 0.000 0.355 0.326) 0.482 8.120 ( 0.000 -1.309 -0.041) 1.309 8.284 ( 0.000 1.922 1.025) 2.178 8.321 ( 0.000 -1.825 0.562) 1.909 8.618 ( 0.000 1.802 0.157) 1.809 8.651 ( 0.000 -1.545 0.092) 1.548 8.885 ( 0.000 1.674 0.220) 1.689 8.900 ( 0.000 0.119 0.333) 0.354 9.159 ( 0.000 -0.540 -2.031) 2.101 9.171 ( 0.000 -1.728 -1.707) 2.429 9.446 ( 0.000 0.644 -1.880) 1.988 9.479 ( 0.000 -2.723 -1.353) 3.041 9.832 ( 0.000 1.709 -1.163) 2.067 9.846 ( 0.000 0.339 -1.256) 1.301 10.021 ( 0.000 1.644 -1.642) 2.324 10.037 ( 0.000 -0.022 -1.733) 1.733 11.725 ( 0.000 0.542 0.673) 0.863 11.741 ( 0.000 -1.161 0.864) 1.448 11.742 ( 0.000 0.485 0.737) 0.882 11.762 ( 0.000 -1.481 0.166) 1.490 14.844 ( 0.000 1.963 3.074) 3.648 14.867 ( 0.000 -0.575 3.896) 3.938 14.957 ( 0.000 -0.705 5.360) 5.406 14.979 ( 0.000 -2.551 3.077) 3.997 15.146 ( 0.000 3.343 1.794) 3.794 15.238 ( 0.000 -6.088 1.553) 6.283 15.467 ( 0.000 0.003 3.255) 3.255 15.510 ( 0.000 -4.039 3.572) 5.392 16.011 ( 0.000 2.006 -1.600) 2.566 16.015 ( 0.000 1.555 -0.897) 1.795 16.549 ( 0.000 1.691 -3.219) 3.636 16.576 ( 0.000 -1.169 -4.095) 4.259 ======================= Grid point 51 (23/60) ======================= q-point: ( 0.25 0.43 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 5.98e-04 5.98e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.227 ( 0.650 11.466 5.078) 12.558 1.305 ( 2.396 9.068 7.681) 12.124 1.378 ( -3.688 -0.160 4.417) 5.756 1.423 ( -3.426 2.585 3.846) 5.763 1.480 ( -0.246 -3.178 2.347) 3.958 1.504 ( -0.919 -4.472 5.708) 7.309 1.650 ( -0.761 1.632 0.129) 1.805 1.693 ( -2.294 -2.412 1.149) 3.521 1.800 ( 1.514 1.339 -0.189) 2.030 1.825 ( 1.977 0.447 0.742) 2.158 1.912 ( -0.652 1.894 -1.987) 2.822 1.941 ( -0.341 0.456 -0.958) 1.114 2.013 ( -1.010 0.716 1.356) 1.837 2.125 ( 1.937 0.602 6.753) 7.051 2.235 ( -0.150 1.170 1.017) 1.558 2.297 ( 1.524 0.991 4.700) 5.039 2.343 ( 0.828 3.515 0.759) 3.690 2.406 ( 3.525 -2.351 0.187) 4.241 2.514 ( 0.532 4.584 6.812) 8.228 2.638 ( 1.808 -1.812 7.233) 7.672 2.837 ( 3.725 5.134 -0.059) 6.344 2.900 ( 3.350 -0.565 -0.395) 3.420 3.136 ( -6.092 3.173 -0.182) 6.871 3.199 ( -6.410 -2.700 -0.494) 6.973 3.753 ( 2.005 2.742 0.341) 3.414 3.804 ( 0.242 -2.049 -0.103) 2.065 3.970 ( 0.095 2.271 -1.960) 3.001 4.008 ( -0.904 -0.593 -2.028) 2.299 4.642 ( 0.459 3.102 -1.863) 3.648 4.694 ( 0.243 -0.448 -2.037) 2.099 4.766 ( -1.603 -1.841 -2.774) 3.695 4.838 ( 0.682 -1.317 -0.603) 1.601 5.123 ( -3.063 -2.499 2.938) 4.925 5.172 ( -1.809 -1.280 2.592) 3.410 5.257 ( 1.413 0.408 0.052) 1.472 5.278 ( 1.026 0.052 2.104) 2.342 5.384 ( 2.640 0.332 1.790) 3.207 5.429 ( 1.869 -0.411 2.184) 2.903 5.681 ( -2.020 0.672 -1.267) 2.478 5.748 ( -0.933 -1.461 0.451) 1.791 6.516 ( 0.071 -1.047 1.966) 2.228 6.544 ( 0.195 -2.280 3.215) 3.946 6.684 ( -0.245 0.721 0.070) 0.765 6.737 ( 1.441 0.094 1.954) 2.429 6.911 ( -0.457 0.969 2.134) 2.387 6.960 ( -0.509 1.102 -0.300) 1.250 6.978 ( 0.645 -0.399 1.419) 1.609 7.028 ( 0.849 -0.142 0.317) 0.917 7.164 ( -0.827 -0.785 1.663) 2.016 7.202 ( 0.344 -1.443 2.555) 2.954 7.460 ( -0.579 0.886 -1.029) 1.477 7.500 ( -0.327 -1.208 -0.381) 1.308 8.110 ( 0.815 -0.153 -0.084) 0.834 8.147 ( 2.113 -0.816 0.788) 2.398 8.262 ( -1.708 1.257 0.475) 2.173 8.298 ( -2.061 -1.189 0.720) 2.486 8.634 ( 1.264 1.418 0.101) 1.902 8.666 ( 1.153 -0.808 0.567) 1.517 8.862 ( -1.446 0.971 -0.902) 1.961 8.912 ( 0.487 0.572 1.147) 1.371 9.159 ( 0.028 -0.762 -2.003) 2.143 9.174 ( 0.195 -1.318 -1.851) 2.281 9.446 ( 0.009 0.014 -1.862) 1.862 9.472 ( -0.585 -1.910 -1.259) 2.362 9.839 ( 0.584 1.305 -1.388) 1.993 9.856 ( 0.897 0.555 -1.107) 1.529 10.002 ( -1.531 1.006 -2.367) 2.993 10.037 ( -0.174 0.640 -1.214) 1.384 11.722 ( -0.185 0.184 0.408) 0.484 11.740 ( -0.069 0.456 0.583) 0.743 11.751 ( 0.675 -0.912 0.858) 1.423 11.764 ( 0.109 -1.279 0.551) 1.396 14.821 ( -1.089 0.313 2.360) 2.617 14.894 ( 1.568 0.894 4.914) 5.235 14.948 ( -0.755 -0.009 4.533) 4.595 14.980 ( -0.014 -2.528 4.410) 5.084 15.153 ( 0.752 0.547 0.003) 0.930 15.274 ( 2.983 -3.324 3.397) 5.612 15.450 ( -1.659 -0.898 2.537) 3.162 15.496 ( -1.045 -3.208 3.603) 4.936 15.988 ( -1.345 1.889 -1.673) 2.859 16.015 ( -0.447 1.637 -0.378) 1.738 16.553 ( 0.280 1.050 -3.819) 3.970 16.576 ( 0.012 -0.564 -3.857) 3.898 ======================= Grid point 52 (24/60) ======================= q-point: (-0.50 0.43 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 5.98e-04 5.98e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.271 ( 0.000 7.338 4.391) 8.551 1.290 ( -0.000 5.092 5.019) 7.150 1.338 ( 0.000 2.383 6.391) 6.821 1.384 ( 0.000 3.927 8.755) 9.595 1.480 ( -0.000 -0.838 5.085) 5.154 1.483 ( 0.000 -2.470 5.369) 5.910 1.655 ( 0.000 -1.697 -0.999) 1.969 1.656 ( -0.000 -0.505 -0.162) 0.530 1.822 ( 0.000 0.770 -0.136) 0.782 1.857 ( 0.000 2.092 1.447) 2.543 1.901 ( 0.000 1.149 -2.571) 2.816 1.933 ( 0.000 0.501 -0.375) 0.626 2.005 ( 0.000 0.928 0.166) 0.943 2.145 ( 0.000 1.180 7.716) 7.805 2.228 ( 0.000 -0.524 0.068) 0.528 2.311 ( 0.000 0.780 5.243) 5.300 2.356 ( 0.000 4.180 -1.175) 4.342 2.452 ( 0.000 -4.059 -1.255) 4.249 2.518 ( 0.000 3.138 6.095) 6.855 2.660 ( 0.000 -0.400 8.602) 8.612 2.937 ( 0.000 2.900 0.710) 2.985 2.968 ( 0.000 4.347 1.483) 4.593 3.051 ( 0.000 0.012 -1.391) 1.391 3.054 ( 0.000 -0.557 -1.702) 1.791 3.787 ( 0.000 0.583 -0.379) 0.695 3.798 ( 0.000 0.578 0.530) 0.784 3.970 ( 0.000 0.802 -2.548) 2.672 3.997 ( 0.000 0.565 -1.381) 1.492 4.649 ( 0.000 2.757 -2.368) 3.634 4.700 ( 0.000 1.113 -1.889) 2.192 4.744 ( 0.000 -3.664 -3.216) 4.875 4.846 ( 0.000 -0.618 0.478) 0.782 5.091 ( 0.000 -3.366 2.890) 4.437 5.153 ( 0.000 -1.454 3.169) 3.486 5.269 ( 0.000 0.768 -0.574) 0.959 5.283 ( 0.000 1.200 1.725) 2.101 5.425 ( 0.000 -0.859 2.570) 2.710 5.451 ( 0.000 0.527 2.348) 2.406 5.652 ( 0.000 -1.011 -2.715) 2.897 5.735 ( 0.000 -0.408 1.159) 1.229 6.517 ( 0.000 -1.687 1.590) 2.318 6.546 ( 0.000 -1.834 3.610) 4.049 6.682 ( 0.000 0.442 -0.032) 0.443 6.754 ( 0.000 0.399 2.751) 2.780 6.907 ( 0.000 -0.170 0.768) 0.787 6.952 ( 0.000 1.412 -1.143) 1.817 6.989 ( 0.000 -0.154 2.601) 2.605 7.037 ( 0.000 1.096 1.171) 1.604 7.154 ( 0.000 -0.978 1.215) 1.560 7.206 ( 0.000 -0.682 2.621) 2.708 7.454 ( 0.000 -1.101 -1.453) 1.823 7.494 ( 0.000 -0.702 0.145) 0.717 8.124 ( 0.000 -0.489 -0.164) 0.516 8.178 ( 0.000 -0.430 1.577) 1.635 8.242 ( 0.000 -0.048 -0.114) 0.124 8.262 ( 0.000 0.046 0.642) 0.643 8.651 ( 0.000 0.357 -0.339) 0.493 8.682 ( 0.000 0.704 1.601) 1.749 8.844 ( 0.000 0.552 -1.812) 1.894 8.916 ( 0.000 0.593 1.551) 1.661 9.160 ( 0.000 -1.005 -2.016) 2.253 9.176 ( 0.000 -0.888 -1.961) 2.152 9.446 ( 0.000 -0.965 -1.959) 2.184 9.464 ( 0.000 -0.796 -1.044) 1.313 9.847 ( 0.000 0.698 -1.696) 1.833 9.870 ( 0.000 1.020 -0.686) 1.229 9.980 ( 0.000 0.780 -3.050) 3.148 10.034 ( 0.000 0.877 -0.923) 1.274 11.720 ( 0.000 0.108 0.231) 0.254 11.739 ( 0.000 0.458 0.412) 0.616 11.762 ( 0.000 -0.936 0.296) 0.982 11.763 ( 0.000 -1.111 1.424) 1.806 14.810 ( 0.000 -0.155 2.036) 2.042 14.917 ( 0.000 1.797 6.651) 6.889 14.933 ( 0.000 -0.192 3.018) 3.024 14.979 ( 0.000 -2.493 5.052) 5.633 15.164 ( 0.000 -1.000 -1.055) 1.454 15.320 ( 0.000 -1.066 5.981) 6.076 15.420 ( 0.000 -2.278 0.541) 2.341 15.483 ( 0.000 -2.317 3.703) 4.368 15.973 ( 0.000 1.652 -1.693) 2.366 16.008 ( 0.000 1.689 0.050) 1.689 16.557 ( 0.000 0.252 -4.494) 4.501 16.576 ( 0.000 0.246 -3.510) 3.518 ======================= Grid point 70 (25/60) ======================= q-point: ( 0.00 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 5.98e-04 5.98e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.868 ( 0.000 0.000 18.905) 18.905 0.887 ( 0.000 0.000 17.368) 17.368 1.310 ( 0.000 0.000 0.582) 0.582 1.318 ( 0.000 0.000 3.525) 3.525 1.342 ( 0.000 0.000 2.783) 2.783 1.586 ( 0.000 0.000 0.705) 0.705 1.616 ( 0.000 0.000 10.246) 10.246 1.625 ( 0.000 0.000 11.262) 11.262 1.768 ( 0.000 0.000 -0.243) 0.243 1.786 ( 0.000 0.000 6.372) 6.372 1.872 ( 0.000 0.000 2.599) 2.599 1.905 ( 0.000 0.000 -2.102) 2.102 1.996 ( 0.000 0.000 -0.814) 0.814 2.115 ( 0.000 0.000 5.498) 5.498 2.159 ( 0.000 0.000 1.405) 1.405 2.182 ( 0.000 0.000 0.034) 0.034 2.412 ( 0.000 0.000 10.565) 10.565 2.446 ( 0.000 0.000 4.520) 4.520 2.567 ( 0.000 0.000 9.191) 9.191 2.600 ( 0.000 0.000 1.647) 1.647 2.694 ( 0.000 0.000 -0.780) 0.780 2.879 ( 0.000 0.000 2.345) 2.345 3.196 ( 0.000 0.000 1.130) 1.130 3.304 ( 0.000 0.000 -2.602) 2.602 3.665 ( 0.000 0.000 0.095) 0.095 3.728 ( 0.000 0.000 -2.764) 2.764 3.887 ( 0.000 0.000 -3.256) 3.256 3.917 ( 0.000 0.000 -2.325) 2.325 4.553 ( 0.000 0.000 4.462) 4.462 4.696 ( 0.000 0.000 -1.751) 1.751 4.837 ( 0.000 0.000 -0.889) 0.889 4.862 ( 0.000 0.000 -2.376) 2.376 5.177 ( 0.000 0.000 3.112) 3.112 5.204 ( 0.000 0.000 0.733) 0.733 5.274 ( 0.000 0.000 -0.831) 0.831 5.350 ( 0.000 0.000 0.410) 0.410 5.502 ( 0.000 0.000 3.342) 3.342 5.601 ( 0.000 0.000 0.279) 0.279 5.702 ( 0.000 0.000 1.345) 1.345 5.716 ( 0.000 0.000 0.391) 0.391 6.639 ( 0.000 0.000 0.485) 0.485 6.697 ( 0.000 0.000 1.879) 1.879 6.705 ( 0.000 0.000 3.979) 3.979 6.849 ( 0.000 0.000 0.695) 0.695 6.918 ( 0.000 0.000 2.021) 2.021 6.921 ( 0.000 0.000 -1.677) 1.677 6.944 ( 0.000 0.000 -0.004) 0.004 7.003 ( 0.000 0.000 -2.421) 2.421 7.312 ( 0.000 0.000 0.715) 0.715 7.340 ( 0.000 0.000 3.379) 3.379 7.404 ( 0.000 0.000 -0.840) 0.840 7.516 ( 0.000 0.000 1.815) 1.815 8.112 ( 0.000 0.000 -0.109) 0.109 8.186 ( 0.000 0.000 -0.071) 0.071 8.289 ( 0.000 0.000 3.592) 3.592 8.373 ( 0.000 0.000 0.269) 0.269 8.691 ( 0.000 0.000 1.561) 1.561 8.717 ( 0.000 0.000 1.997) 1.997 8.790 ( 0.000 0.000 -0.057) 0.057 8.807 ( 0.000 0.000 1.747) 1.747 9.232 ( 0.000 0.000 -2.580) 2.580 9.260 ( 0.000 0.000 -1.926) 1.926 9.391 ( 0.000 0.000 -5.531) 5.531 9.487 ( 0.000 0.000 -3.863) 3.863 9.752 ( 0.000 0.000 -1.545) 1.545 9.830 ( 0.000 0.000 -3.649) 3.649 9.853 ( 0.000 0.000 -0.853) 0.853 9.924 ( 0.000 0.000 -1.430) 1.430 11.742 ( 0.000 0.000 1.525) 1.525 11.794 ( 0.000 0.000 1.586) 1.586 11.806 ( 0.000 0.000 0.426) 0.426 11.836 ( 0.000 0.000 0.541) 0.541 14.973 ( 0.000 0.000 3.658) 3.658 15.019 ( 0.000 0.000 4.919) 4.919 15.057 ( 0.000 0.000 3.785) 3.785 15.087 ( 0.000 0.000 2.444) 2.444 15.332 ( 0.000 0.000 5.731) 5.731 15.566 ( 0.000 0.000 2.840) 2.840 15.655 ( 0.000 0.000 0.945) 0.945 15.713 ( 0.000 0.000 -0.332) 0.332 15.837 ( 0.000 0.000 2.699) 2.699 15.859 ( 0.000 0.000 6.589) 6.589 16.388 ( 0.000 0.000 -3.921) 3.921 16.444 ( 0.000 0.000 -8.099) 8.099 ======================= Grid point 71 (26/60) ======================= q-point: ( 0.25 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 5.98e-04 5.98e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.964 ( 6.522 0.000 13.973) 15.421 1.006 ( 8.788 0.000 14.791) 17.205 1.293 ( -1.200 0.000 4.887) 5.032 1.314 ( 0.311 0.000 0.945) 0.995 1.361 ( 0.817 0.000 1.642) 1.834 1.471 ( -6.717 0.000 7.988) 10.437 1.650 ( 2.216 0.000 10.621) 10.850 1.683 ( 2.174 0.000 5.139) 5.580 1.771 ( 0.620 0.000 -0.356) 0.715 1.790 ( 0.389 0.000 4.679) 4.695 1.892 ( 1.755 0.000 2.414) 2.984 1.917 ( 0.694 0.000 -1.348) 1.516 1.998 ( 0.606 0.000 0.276) 0.666 2.097 ( -0.693 0.000 3.494) 3.562 2.140 ( 2.136 0.000 5.237) 5.656 2.240 ( -3.747 0.000 3.768) 5.315 2.388 ( 1.492 0.000 8.378) 8.510 2.493 ( 7.835 0.000 4.254) 8.916 2.549 ( -2.051 0.000 8.499) 8.743 2.670 ( 5.121 0.000 0.029) 5.121 2.694 ( -0.426 0.000 1.607) 1.663 2.904 ( 2.838 0.000 1.712) 3.315 3.062 ( -11.313 0.000 0.625) 11.331 3.230 ( -7.913 0.000 -2.027) 8.168 3.697 ( 2.998 0.000 -0.183) 3.004 3.764 ( 3.166 0.000 -3.715) 4.881 3.848 ( -3.222 0.000 -2.290) 3.953 3.899 ( -2.091 0.000 -3.330) 3.933 4.569 ( 1.711 0.000 3.608) 3.993 4.672 ( -2.209 0.000 -0.601) 2.290 4.843 ( 0.412 0.000 -1.192) 1.261 4.858 ( -0.402 0.000 -2.216) 2.252 5.184 ( 0.719 0.000 2.680) 2.775 5.205 ( -0.060 0.000 0.697) 0.699 5.281 ( 0.665 0.000 -0.822) 1.057 5.337 ( -1.268 0.000 0.222) 1.287 5.507 ( 0.669 0.000 3.094) 3.166 5.574 ( -2.155 0.000 1.125) 2.431 5.711 ( 0.601 0.000 1.198) 1.340 5.720 ( 0.213 0.000 0.587) 0.625 6.638 ( -0.011 0.000 0.886) 0.886 6.659 ( -1.526 0.000 2.771) 3.163 6.747 ( 2.056 0.000 2.008) 2.874 6.828 ( -1.825 0.000 0.611) 1.924 6.923 ( 0.330 0.000 -1.786) 1.816 6.938 ( -0.445 0.000 0.080) 0.452 6.945 ( 2.064 0.000 1.519) 2.562 7.002 ( -0.303 0.000 -1.941) 1.964 7.277 ( -1.546 0.000 2.357) 2.818 7.312 ( -2.145 0.000 4.124) 4.648 7.466 ( 4.063 0.000 -1.410) 4.301 7.536 ( 1.047 0.000 0.160) 1.059 8.131 ( 2.002 0.000 0.300) 2.025 8.224 ( 3.303 0.000 -0.177) 3.308 8.260 ( -2.731 0.000 2.229) 3.525 8.357 ( -1.829 0.000 0.068) 1.830 8.704 ( 0.995 0.000 1.910) 2.154 8.718 ( 0.079 0.000 2.146) 2.147 8.799 ( 0.716 0.000 0.092) 0.722 8.810 ( 0.180 0.000 1.458) 1.469 9.232 ( 0.122 0.000 -2.508) 2.511 9.253 ( -0.593 0.000 -2.070) 2.153 9.406 ( 1.396 0.000 -5.312) 5.493 9.476 ( -1.157 0.000 -4.286) 4.440 9.745 ( -0.170 0.000 -1.060) 1.074 9.826 ( -2.475 0.000 -0.835) 2.612 9.830 ( 0.652 0.000 -2.390) 2.477 9.904 ( -1.848 0.000 -1.529) 2.398 11.745 ( 0.282 0.000 1.480) 1.507 11.773 ( -1.161 0.000 1.390) 1.811 11.826 ( 0.995 0.000 0.629) 1.177 11.838 ( 0.210 0.000 0.539) 0.578 14.976 ( 0.343 0.000 4.749) 4.762 15.000 ( -1.066 0.000 5.855) 5.951 15.077 ( 1.072 0.000 2.849) 3.044 15.088 ( 0.044 0.000 2.524) 2.524 15.351 ( 2.019 0.000 6.253) 6.571 15.533 ( -6.922 0.000 4.944) 8.507 15.601 ( 3.238 0.000 2.964) 4.389 15.761 ( -1.222 0.000 0.053) 1.223 15.842 ( 0.313 0.000 4.893) 4.903 15.846 ( 0.783 0.000 2.373) 2.499 16.400 ( 0.796 0.000 -6.098) 6.150 16.434 ( -0.920 0.000 -8.184) 8.236 ======================= Grid point 72 (27/60) ======================= q-point: (-0.50 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 5.98e-04 5.98e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 52 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.077 ( -1.157 0.000 10.021) 10.088 1.077 ( 1.157 0.000 10.021) 10.088 1.302 ( -1.942 0.000 6.429) 6.716 1.302 ( 1.942 0.000 6.429) 6.716 1.374 ( -1.481 0.000 5.293) 5.497 1.374 ( 1.481 0.000 5.293) 5.497 1.691 ( -0.943 0.000 5.859) 5.935 1.691 ( 0.943 0.000 5.859) 5.935 1.789 ( -0.664 0.000 1.120) 1.302 1.789 ( 0.664 0.000 1.120) 1.302 1.920 ( -0.186 0.000 0.213) 0.283 1.920 ( 0.186 0.000 0.213) 0.283 2.047 ( -3.209 0.000 4.434) 5.473 2.047 ( 3.209 0.000 4.434) 5.473 2.183 ( -1.458 0.000 4.304) 4.545 2.183 ( 1.458 0.000 4.304) 4.545 2.465 ( -5.550 0.000 9.894) 11.344 2.465 ( 5.550 0.000 9.894) 11.344 2.653 ( -3.897 0.000 5.141) 6.451 2.653 ( 3.897 0.000 5.141) 6.451 2.824 ( -9.758 0.000 -2.396) 10.047 2.824 ( 9.758 0.000 -2.396) 10.047 3.026 ( -9.791 0.000 -0.521) 9.805 3.026 ( 9.791 0.000 -0.521) 9.805 3.772 ( -3.801 0.000 -1.103) 3.958 3.772 ( 3.801 0.000 -1.103) 3.958 3.837 ( -3.569 0.000 -4.113) 5.446 3.837 ( 3.569 0.000 -4.113) 5.446 4.618 ( -2.619 0.000 1.574) 3.055 4.618 ( 2.619 0.000 1.574) 3.055 4.850 ( -0.036 0.000 -1.750) 1.750 4.850 ( 0.036 0.000 -1.750) 1.750 5.199 ( -0.156 0.000 1.509) 1.517 5.199 ( 0.156 0.000 1.509) 1.517 5.304 ( -1.597 0.000 -0.385) 1.643 5.304 ( 1.597 0.000 -0.385) 1.643 5.532 ( -1.394 0.000 2.290) 2.681 5.532 ( 1.394 0.000 2.290) 2.681 5.720 ( -0.013 0.000 0.963) 0.963 5.720 ( 0.013 0.000 0.963) 0.963 6.641 ( -0.086 0.000 1.841) 1.843 6.641 ( 0.086 0.000 1.841) 1.843 6.787 ( -1.064 0.000 0.908) 1.399 6.787 ( 1.064 0.000 0.908) 1.399 6.930 ( -0.040 0.000 -0.788) 0.789 6.930 ( 0.040 0.000 -0.788) 0.789 6.984 ( -1.510 0.000 -0.417) 1.566 6.984 ( 1.510 0.000 -0.417) 1.566 7.275 ( -1.079 0.000 4.117) 4.256 7.275 ( 1.079 0.000 4.117) 4.256 7.530 ( -1.441 0.000 -1.224) 1.891 7.530 ( 1.441 0.000 -1.224) 1.891 8.191 ( -3.317 0.000 0.982) 3.459 8.191 ( 3.317 0.000 0.982) 3.459 8.299 ( -3.578 0.000 -0.199) 3.584 8.299 ( 3.578 0.000 -0.199) 3.584 8.718 ( -0.018 0.000 2.271) 2.271 8.718 ( 0.018 0.000 2.271) 2.271 8.810 ( -0.017 0.000 0.718) 0.718 8.810 ( 0.017 0.000 0.718) 0.718 9.240 ( -0.553 0.000 -2.304) 2.369 9.240 ( 0.553 0.000 -2.304) 2.369 9.442 ( -1.446 0.000 -4.866) 5.076 9.442 ( 1.446 0.000 -4.866) 5.076 9.770 ( -2.157 0.000 -0.701) 2.268 9.770 ( 2.157 0.000 -0.701) 2.268 9.861 ( -1.077 0.000 -1.749) 2.054 9.861 ( 1.077 0.000 -1.749) 2.054 11.754 ( -0.505 0.000 1.478) 1.561 11.754 ( 0.505 0.000 1.478) 1.561 11.839 ( -0.083 0.000 0.536) 0.543 11.839 ( 0.083 0.000 0.536) 0.543 14.985 ( -0.079 0.000 6.163) 6.164 14.985 ( 0.079 0.000 6.163) 6.164 15.088 ( -0.002 0.000 2.393) 2.393 15.088 ( 0.002 0.000 2.393) 2.393 15.417 ( -1.671 0.000 6.621) 6.828 15.417 ( 1.671 0.000 6.621) 6.828 15.684 ( -3.630 0.000 3.097) 4.771 15.684 ( 3.630 0.000 3.097) 4.771 15.857 ( -0.004 0.000 1.968) 1.968 15.857 ( 0.004 0.000 1.968) 1.968 16.415 ( -0.350 0.000 -7.941) 7.949 16.415 ( 0.350 0.000 -7.941) 7.949 ======================= Grid point 75 (28/60) ======================= q-point: ( 0.00 0.14 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 5.98e-04 5.98e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 87 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.944 ( 0.000 7.596 16.122) 17.821 1.077 ( 0.000 14.150 13.347) 19.452 1.386 ( 0.000 6.329 2.431) 6.779 1.408 ( 0.000 7.975 1.254) 8.073 1.416 ( 0.000 5.847 2.151) 6.230 1.583 ( 0.000 -0.024 1.072) 1.072 1.629 ( 0.000 1.374 9.643) 9.740 1.637 ( 0.000 2.032 7.796) 8.056 1.766 ( 0.000 0.326 -0.261) 0.418 1.786 ( 0.000 0.296 4.526) 4.536 1.894 ( 0.000 -1.115 -1.954) 2.250 1.916 ( 0.000 2.682 2.588) 3.727 2.003 ( 0.000 2.112 0.848) 2.276 2.109 ( 0.000 -0.501 3.582) 3.617 2.205 ( 0.000 4.348 3.010) 5.288 2.205 ( 0.000 2.643 1.808) 3.203 2.400 ( 0.000 -0.706 10.178) 10.203 2.448 ( 0.000 0.157 5.188) 5.191 2.551 ( 0.000 -0.812 7.433) 7.477 2.645 ( 0.000 3.844 3.636) 5.291 2.706 ( 0.000 1.187 -0.437) 1.265 2.867 ( 0.000 -0.983 1.992) 2.221 3.189 ( 0.000 -0.579 1.069) 1.216 3.305 ( 0.000 -0.080 -2.463) 2.464 3.669 ( 0.000 0.605 0.493) 0.780 3.742 ( 0.000 1.471 -2.507) 2.907 3.906 ( 0.000 1.819 -3.585) 4.021 3.913 ( 0.000 -0.391 -2.102) 2.139 4.560 ( 0.000 0.834 3.768) 3.859 4.674 ( 0.000 -1.509 -0.399) 1.561 4.834 ( 0.000 -0.746 -1.091) 1.322 4.859 ( 0.000 -0.472 -1.538) 1.609 5.185 ( 0.000 0.966 2.396) 2.584 5.227 ( 0.000 2.162 1.094) 2.423 5.266 ( 0.000 -0.913 -1.424) 1.692 5.358 ( 0.000 0.879 1.505) 1.743 5.473 ( 0.000 -2.820 3.730) 4.677 5.540 ( 0.000 -5.155 0.483) 5.177 5.695 ( 0.000 -0.562 1.076) 1.214 5.753 ( 0.000 2.397 -0.283) 2.414 6.610 ( 0.000 -1.974 1.193) 2.307 6.699 ( 0.000 -1.032 2.934) 3.110 6.705 ( 0.000 0.025 1.688) 1.688 6.812 ( 0.000 -2.568 1.381) 2.915 6.920 ( 0.000 0.371 0.953) 1.023 6.935 ( 0.000 0.837 -1.246) 1.501 6.951 ( 0.000 0.691 1.153) 1.344 7.014 ( 0.000 0.831 -2.392) 2.532 7.285 ( 0.000 -1.686 3.086) 3.516 7.369 ( 0.000 2.033 1.144) 2.333 7.380 ( 0.000 -2.363 0.631) 2.445 7.516 ( 0.000 -0.123 0.900) 0.908 8.110 ( 0.000 -0.174 0.027) 0.176 8.173 ( 0.000 -1.168 0.225) 1.190 8.290 ( 0.000 0.138 3.279) 3.282 8.368 ( 0.000 -0.455 0.345) 0.571 8.620 ( 0.000 -2.646 1.761) 3.178 8.738 ( 0.000 -2.902 0.707) 2.987 8.796 ( 0.000 3.773 1.290) 3.988 8.856 ( 0.000 2.610 0.869) 2.751 9.198 ( 0.000 -3.020 -2.462) 3.896 9.236 ( 0.000 -2.382 -2.389) 3.374 9.388 ( 0.000 -0.419 -5.233) 5.250 9.505 ( 0.000 0.956 -4.108) 4.218 9.765 ( 0.000 1.357 -1.248) 1.843 9.788 ( 0.000 -2.599 -1.505) 3.003 9.882 ( 0.000 2.601 -1.386) 2.947 9.947 ( 0.000 1.708 -2.081) 2.692 11.739 ( 0.000 -0.289 1.308) 1.339 11.787 ( 0.000 -0.666 1.546) 1.683 11.800 ( 0.000 -0.816 -0.103) 0.822 11.824 ( 0.000 -1.025 0.760) 1.276 14.931 ( 0.000 -2.259 5.004) 5.490 15.007 ( 0.000 -1.030 5.190) 5.291 15.090 ( 0.000 0.004 2.359) 2.359 15.099 ( 0.000 2.425 3.330) 4.119 15.272 ( 0.000 -5.072 6.442) 8.199 15.517 ( 0.000 -4.853 1.939) 5.226 15.665 ( 0.000 -3.937 2.434) 4.629 15.735 ( 0.000 5.744 -1.340) 5.898 15.823 ( 0.000 -2.540 7.036) 7.480 15.882 ( 0.000 3.640 1.121) 3.809 16.401 ( 0.000 1.220 -4.230) 4.403 16.448 ( 0.000 0.333 -8.306) 8.313 ======================= Grid point 76 (29/60) ======================= q-point: ( 0.25 0.14 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 5.98e-04 5.98e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.022 ( 6.869 6.226 14.547) 17.250 1.147 ( 4.970 11.026 11.574) 16.740 1.362 ( -1.732 5.796 4.388) 7.473 1.400 ( -0.206 7.129 0.901) 7.189 1.431 ( 0.080 5.590 1.778) 5.867 1.483 ( -5.963 1.846 6.871) 9.282 1.663 ( 2.031 1.845 6.980) 7.500 1.685 ( 1.985 0.256 4.665) 5.076 1.766 ( 0.356 -0.169 0.248) 0.465 1.786 ( -0.050 0.113 3.270) 3.273 1.898 ( 0.361 -1.018 -0.898) 1.405 1.924 ( 0.332 0.731 0.725) 1.082 2.004 ( 0.441 1.194 1.495) 1.964 2.119 ( 1.129 2.870 5.121) 5.978 2.193 ( 0.870 4.459 4.368) 6.302 2.250 ( -1.830 1.286 3.675) 4.302 2.392 ( 2.372 0.742 8.675) 9.024 2.502 ( 7.177 0.964 5.250) 8.945 2.560 ( -0.645 0.401 7.950) 7.987 2.659 ( 1.488 0.769 0.700) 1.815 2.734 ( 2.477 2.921 1.396) 4.077 2.889 ( 2.571 -1.213 1.321) 3.135 3.073 ( -10.088 0.925 0.963) 10.176 3.222 ( -8.202 -0.627 -1.995) 8.464 3.701 ( 2.898 0.533 0.146) 2.951 3.767 ( 2.042 0.599 -2.930) 3.621 3.871 ( -2.494 1.849 -2.443) 3.950 3.903 ( -1.541 0.599 -3.416) 3.795 4.574 ( 1.405 0.527 3.137) 3.478 4.660 ( -1.382 -0.734 0.202) 1.578 4.824 ( -0.603 -1.557 -1.358) 2.152 4.865 ( 0.275 0.023 -1.275) 1.305 5.191 ( 0.482 0.826 1.530) 1.805 5.226 ( 0.075 1.763 1.267) 2.172 5.274 ( 0.502 -0.831 -0.970) 1.372 5.334 ( -1.920 -0.032 1.786) 2.622 5.486 ( 0.950 -2.246 2.546) 3.525 5.538 ( -0.209 -3.169 1.477) 3.503 5.687 ( -0.524 -1.213 0.489) 1.409 5.753 ( -0.140 1.718 0.364) 1.762 6.618 ( 0.565 -1.482 1.300) 2.051 6.670 ( -1.075 0.439 2.254) 2.536 6.733 ( 1.104 -1.655 2.035) 2.846 6.808 ( -0.487 -1.484 0.800) 1.755 6.917 ( -0.338 -0.034 -0.792) 0.862 6.933 ( -0.310 -0.126 0.500) 0.602 6.962 ( 1.428 0.951 0.375) 1.756 7.014 ( -0.214 1.007 -1.500) 1.819 7.267 ( -0.927 -0.827 3.387) 3.607 7.311 ( -2.602 -0.123 3.708) 4.531 7.453 ( 3.829 -1.142 -1.093) 4.143 7.532 ( 0.833 -0.522 -0.147) 0.993 8.128 ( 1.919 -0.239 0.439) 1.983 8.210 ( 3.152 -1.292 0.253) 3.416 8.261 ( -2.574 0.160 2.066) 3.304 8.349 ( -2.019 -0.718 0.258) 2.159 8.641 ( 1.850 -2.506 1.914) 3.656 8.730 ( -0.778 -1.653 1.657) 2.467 8.797 ( 0.049 1.632 0.605) 1.741 8.862 ( 0.510 3.055 0.902) 3.226 9.200 ( 0.301 -2.886 -2.368) 3.745 9.229 ( -0.690 -2.417 -2.311) 3.414 9.401 ( 1.245 -0.480 -5.066) 5.239 9.486 ( -1.762 0.245 -4.270) 4.626 9.753 ( 0.096 0.966 -0.619) 1.152 9.805 ( 0.553 -0.879 -1.274) 1.644 9.863 ( -1.410 2.716 -1.740) 3.520 9.930 ( -1.431 2.073 -2.107) 3.284 11.741 ( 0.212 -0.362 1.244) 1.313 11.769 ( -1.009 -0.382 1.276) 1.671 11.814 ( 0.701 -1.211 0.192) 1.412 11.830 ( 0.412 -0.831 0.817) 1.236 14.938 ( 0.595 -2.208 5.307) 5.779 15.009 ( 0.125 -0.230 5.692) 5.698 15.049 ( -1.559 -0.482 3.541) 3.899 15.142 ( 1.688 2.482 1.912) 3.559 15.283 ( 1.109 -5.400 6.760) 8.723 15.519 ( -0.685 -3.296 3.476) 4.839 15.614 ( -1.832 0.061 3.090) 3.593 15.733 ( -2.179 -1.818 1.627) 3.271 15.828 ( 1.388 0.464 3.754) 4.029 15.892 ( 0.567 3.337 1.298) 3.625 16.403 ( 0.153 0.520 -6.055) 6.079 16.441 ( -0.638 0.635 -7.975) 8.025 ======================= Grid point 77 (30/60) ======================= q-point: (-0.50 0.14 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 5.98e-04 5.98e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 85 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.130 ( 0.000 6.636 10.201) 12.170 1.204 ( 0.000 8.602 9.369) 12.719 1.357 ( 0.000 4.151 9.156) 10.053 1.361 ( -0.000 4.817 7.726) 9.104 1.406 ( 0.000 3.875 2.783) 4.771 1.439 ( 0.000 6.590 1.361) 6.729 1.689 ( 0.000 0.470 4.271) 4.297 1.701 ( 0.000 0.840 4.493) 4.570 1.778 ( -0.000 -0.902 1.283) 1.569 1.781 ( 0.000 -0.122 1.748) 1.753 1.902 ( 0.000 -1.251 -0.275) 1.281 1.927 ( 0.000 -0.323 -0.462) 0.564 2.027 ( 0.000 0.040 5.260) 5.260 2.094 ( -0.000 2.934 2.993) 4.192 2.210 ( 0.000 2.480 3.656) 4.418 2.236 ( 0.000 4.529 4.768) 6.576 2.459 ( 0.000 0.437 9.795) 9.805 2.514 ( 0.000 3.871 9.544) 10.299 2.623 ( 0.000 -2.502 4.173) 4.865 2.691 ( 0.000 2.987 4.457) 5.365 2.807 ( 0.000 1.397 -1.091) 1.772 2.880 ( 0.000 3.052 -0.648) 3.120 3.013 ( 0.000 -1.045 -0.249) 1.075 3.019 ( -0.000 -0.522 -1.105) 1.222 3.758 ( 0.000 -0.384 -1.145) 1.208 3.780 ( 0.000 0.229 -0.711) 0.747 3.846 ( 0.000 1.206 -3.580) 3.778 3.870 ( 0.000 2.587 -3.890) 4.671 4.604 ( 0.000 -0.640 1.906) 2.011 4.630 ( 0.000 0.849 1.393) 1.632 4.817 ( 0.000 -2.015 -1.513) 2.519 4.867 ( 0.000 0.173 -1.159) 1.172 5.197 ( 0.000 0.674 0.338) 0.754 5.229 ( 0.000 2.063 2.001) 2.874 5.284 ( 0.000 -1.935 -1.015) 2.185 5.304 ( 0.000 -0.037 2.267) 2.267 5.499 ( 0.000 -2.721 0.592) 2.785 5.534 ( 0.000 -0.417 3.361) 3.387 5.682 ( 0.000 -2.068 -0.081) 2.070 5.750 ( 0.000 1.146 0.915) 1.466 6.625 ( 0.000 -1.042 1.479) 1.810 6.660 ( 0.000 0.932 1.999) 2.206 6.746 ( 0.000 -2.455 1.975) 3.151 6.799 ( 0.000 -0.426 0.144) 0.450 6.912 ( 0.000 0.200 0.779) 0.804 6.930 ( 0.000 -1.052 -1.844) 2.123 6.988 ( 0.000 0.042 -0.740) 0.741 7.004 ( 0.000 1.786 0.416) 1.834 7.265 ( 0.000 -0.639 4.450) 4.496 7.276 ( -0.000 0.010 4.085) 4.085 7.504 ( 0.000 -1.901 -1.683) 2.539 7.534 ( 0.000 -0.461 -0.701) 0.839 8.173 ( -0.000 -0.964 1.117) 1.475 8.205 ( 0.000 0.588 1.111) 1.257 8.281 ( 0.000 -1.301 0.095) 1.305 8.295 ( -0.000 -0.764 0.105) 0.771 8.670 ( 0.000 -2.406 1.489) 2.829 8.715 ( 0.000 -0.677 2.958) 3.034 8.798 ( 0.000 0.043 0.031) 0.053 8.869 ( 0.000 3.289 0.947) 3.422 9.211 ( -0.000 -2.516 -1.957) 3.187 9.213 ( 0.000 -2.663 -2.554) 3.689 9.426 ( 0.000 -0.680 -4.818) 4.866 9.453 ( -0.000 -0.125 -4.438) 4.439 9.777 ( -0.000 1.641 -0.135) 1.647 9.786 ( 0.000 0.517 -1.189) 1.297 9.853 ( 0.000 1.233 -2.042) 2.386 9.909 ( 0.000 2.890 -2.247) 3.661 11.745 ( 0.000 -0.594 1.169) 1.311 11.756 ( 0.000 -0.063 1.407) 1.409 11.822 ( 0.000 -1.372 0.149) 1.380 11.835 ( 0.000 -0.742 0.833) 1.115 14.946 ( 0.000 -2.222 5.585) 6.011 15.009 ( 0.000 1.025 6.649) 6.727 15.035 ( 0.000 -1.733 3.302) 3.729 15.158 ( 0.000 2.731 1.551) 3.140 15.301 ( 0.000 -5.958 6.930) 9.139 15.495 ( 0.000 1.801 6.031) 6.294 15.618 ( 0.000 -4.832 1.521) 5.066 15.690 ( 0.000 -1.148 4.333) 4.483 15.851 ( 0.000 0.833 0.796) 1.152 15.896 ( 0.000 2.921 2.143) 3.623 16.405 ( 0.000 -0.045 -7.887) 7.887 16.431 ( 0.000 0.977 -7.338) 7.402 ======================= Grid point 80 (31/60) ======================= q-point: ( 0.00 0.29 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 5.98e-04 5.98e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 87 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.134 ( 0.000 11.369 10.639) 15.570 1.298 ( 0.000 8.827 12.187) 15.047 1.481 ( 0.000 0.807 1.883) 2.049 1.481 ( 0.000 2.317 2.148) 3.159 1.543 ( 0.000 4.462 1.494) 4.705 1.591 ( 0.000 0.297 0.551) 0.627 1.674 ( 0.000 3.287 6.949) 7.687 1.708 ( 0.000 3.621 1.609) 3.962 1.800 ( 0.000 1.139 1.907) 2.221 1.803 ( 0.000 3.367 -0.029) 3.367 1.867 ( 0.000 -1.489 -1.416) 2.055 1.917 ( 0.000 -1.161 -0.553) 1.286 2.087 ( 0.000 3.875 1.140) 4.039 2.106 ( 0.000 0.442 3.062) 3.093 2.293 ( 0.000 5.405 5.288) 7.561 2.293 ( 0.000 3.955 3.156) 5.060 2.403 ( 0.000 1.241 9.497) 9.577 2.452 ( 0.000 0.300 6.117) 6.124 2.567 ( 0.000 3.432 8.237) 8.924 2.731 ( 0.000 0.930 1.756) 1.987 2.732 ( 0.000 4.936 3.345) 5.963 2.856 ( 0.000 0.143 0.742) 0.755 3.185 ( 0.000 0.433 0.981) 1.072 3.293 ( 0.000 -1.228 -1.825) 2.199 3.694 ( 0.000 2.012 0.950) 2.225 3.781 ( 0.000 2.229 -1.864) 2.906 3.904 ( 0.000 -0.313 -1.792) 1.819 3.944 ( 0.000 1.676 -3.987) 4.325 4.587 ( 0.000 2.026 2.561) 3.266 4.663 ( 0.000 0.654 0.824) 1.052 4.802 ( 0.000 -2.423 -0.594) 2.494 4.841 ( 0.000 -1.410 0.074) 1.412 5.210 ( 0.000 1.286 1.540) 2.006 5.244 ( 0.000 -1.279 -1.047) 1.653 5.266 ( 0.000 0.743 0.028) 0.744 5.362 ( 0.000 -2.016 3.230) 3.807 5.416 ( 0.000 -1.778 5.319) 5.608 5.445 ( 0.000 -2.814 -0.336) 2.834 5.688 ( 0.000 -0.027 0.368) 0.369 5.778 ( 0.000 -0.124 -0.683) 0.695 6.582 ( 0.000 -0.904 2.151) 2.333 6.656 ( 0.000 -3.124 1.709) 3.561 6.696 ( 0.000 -0.483 1.729) 1.795 6.776 ( 0.000 -1.385 2.264) 2.654 6.935 ( 0.000 1.116 -0.002) 1.116 6.948 ( 0.000 0.587 -0.913) 1.086 6.968 ( 0.000 0.923 1.521) 1.779 7.022 ( 0.000 -0.115 -1.822) 1.825 7.259 ( 0.000 -0.984 4.519) 4.625 7.325 ( 0.000 -3.053 3.041) 4.309 7.411 ( 0.000 2.263 -0.121) 2.266 7.507 ( 0.000 -0.809 -0.221) 0.839 8.109 ( 0.000 0.134 0.385) 0.407 8.148 ( 0.000 -1.245 0.557) 1.364 8.296 ( 0.000 0.534 2.490) 2.547 8.356 ( 0.000 -0.796 0.464) 0.921 8.602 ( 0.000 0.470 0.978) 1.085 8.690 ( 0.000 -2.033 0.600) 2.120 8.855 ( 0.000 2.508 0.956) 2.684 8.897 ( 0.000 1.552 0.727) 1.714 9.138 ( 0.000 -2.641 -2.334) 3.524 9.178 ( 0.000 -3.232 -2.403) 4.027 9.378 ( 0.000 -0.370 -4.624) 4.638 9.487 ( 0.000 -2.765 -4.171) 5.005 9.777 ( 0.000 1.340 -0.486) 1.426 9.797 ( 0.000 1.688 -1.109) 2.020 9.936 ( 0.000 2.737 -1.979) 3.378 9.978 ( 0.000 1.280 -2.414) 2.732 11.733 ( 0.000 -0.182 0.815) 0.835 11.773 ( 0.000 -0.706 1.423) 1.589 11.776 ( 0.000 -1.498 -0.260) 1.521 11.801 ( 0.000 -1.377 0.838) 1.612 14.910 ( 0.000 0.011 5.101) 5.101 14.986 ( 0.000 -1.153 5.159) 5.286 15.079 ( 0.000 -1.080 2.901) 3.095 15.130 ( 0.000 0.337 5.147) 5.158 15.175 ( 0.000 -3.695 4.439) 5.776 15.398 ( 0.000 -6.949 1.154) 7.044 15.591 ( 0.000 -3.208 4.673) 5.669 15.705 ( 0.000 -5.427 4.639) 7.140 15.895 ( 0.000 6.223 -0.026) 6.223 15.954 ( 0.000 3.480 0.293) 3.492 16.431 ( 0.000 1.706 -4.824) 5.117 16.456 ( 0.000 0.520 -7.567) 7.585 ======================= Grid point 81 (32/60) ======================= q-point: ( 0.25 0.29 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 5.98e-04 5.98e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.178 ( 4.408 9.326 10.781) 14.921 1.341 ( 3.108 8.343 10.113) 13.473 1.440 ( -3.020 1.290 4.493) 5.565 1.472 ( -1.299 1.719 3.012) 3.704 1.532 ( -1.053 3.922 1.828) 4.454 1.574 ( -0.728 4.828 2.031) 5.288 1.686 ( 0.292 0.223 4.610) 4.624 1.724 ( 0.735 2.929 2.216) 3.746 1.774 ( -0.672 1.212 0.726) 1.564 1.817 ( 0.278 3.202 0.675) 3.284 1.870 ( 0.424 -1.409 -0.525) 1.562 1.914 ( -0.265 -1.008 -0.683) 1.247 2.039 ( -0.844 1.937 2.779) 3.491 2.182 ( 1.461 2.316 3.178) 4.195 2.252 ( -1.874 2.008 3.356) 4.337 2.316 ( 0.701 4.046 3.688) 5.519 2.425 ( 3.222 2.343 8.495) 9.383 2.502 ( 3.655 -1.420 5.782) 6.986 2.595 ( 1.992 4.390 8.989) 10.200 2.711 ( 1.226 3.969 1.416) 4.388 2.794 ( 3.691 2.919 3.027) 5.595 2.875 ( 2.648 0.232 0.031) 2.658 3.096 ( -7.967 1.618 0.988) 8.190 3.209 ( -8.019 -0.789 -1.557) 8.207 3.721 ( 2.387 1.578 0.470) 2.900 3.790 ( 0.567 1.485 -1.611) 2.263 3.895 ( -1.034 0.774 -2.394) 2.720 3.932 ( -0.869 1.883 -3.573) 4.131 4.593 ( 0.628 1.587 2.399) 2.945 4.662 ( -0.271 1.028 1.087) 1.520 4.784 ( -1.153 -2.610 -0.545) 2.905 4.852 ( 0.579 -1.102 0.019) 1.245 5.211 ( 0.177 0.654 1.008) 1.214 5.233 ( -0.412 -1.247 -0.547) 1.423 5.265 ( -0.541 -0.744 0.065) 0.922 5.330 ( -1.795 -0.564 4.611) 4.980 5.442 ( 1.245 -0.863 0.722) 1.678 5.480 ( 2.937 -2.273 2.754) 4.624 5.667 ( -1.726 -0.786 -0.245) 1.912 5.769 ( -0.749 -0.204 -0.215) 0.806 6.588 ( 0.446 -1.588 1.817) 2.454 6.662 ( 0.474 -1.755 2.641) 3.207 6.696 ( 0.230 -0.973 1.684) 1.959 6.785 ( 0.529 -0.947 1.362) 1.742 6.919 ( -0.749 0.359 -0.666) 1.065 6.941 ( -1.011 0.476 0.182) 1.132 6.979 ( 1.041 1.031 0.181) 1.476 7.030 ( 0.393 0.461 -0.889) 1.076 7.252 ( -0.303 -0.648 4.675) 4.729 7.302 ( -1.740 -1.004 3.961) 4.441 7.435 ( 1.924 -0.443 -0.762) 2.116 7.514 ( 0.283 -1.298 -0.483) 1.414 8.124 ( 1.591 -0.131 0.825) 1.797 8.183 ( 2.919 -1.312 0.709) 3.278 8.267 ( -2.423 0.460 1.659) 2.972 8.332 ( -2.380 -0.968 0.502) 2.618 8.622 ( 1.683 0.297 0.998) 1.979 8.700 ( 0.844 -1.166 1.282) 1.928 8.828 ( -1.931 1.485 0.221) 2.446 8.912 ( 0.873 2.003 1.035) 2.417 9.142 ( 0.444 -2.628 -2.295) 3.517 9.172 ( -0.588 -3.057 -2.295) 3.868 9.389 ( 1.009 -0.626 -4.518) 4.672 9.466 ( -1.773 -2.180 -3.987) 4.877 9.782 ( 0.775 1.839 -0.665) 2.103 9.810 ( 0.858 1.180 -1.035) 1.789 9.916 ( -1.815 2.392 -2.308) 3.787 9.970 ( -0.582 1.886 -2.406) 3.112 11.734 ( 0.010 -0.343 0.762) 0.835 11.760 ( -0.636 -0.475 1.074) 1.336 11.785 ( 0.476 -1.642 -0.018) 1.710 11.809 ( 0.529 -1.250 0.981) 1.675 14.908 ( -0.093 -0.978 4.974) 5.070 14.999 ( 1.006 -0.557 5.089) 5.218 15.049 ( -1.599 0.232 4.672) 4.944 15.162 ( 0.810 -1.154 3.542) 3.812 15.183 ( 1.583 -3.630 4.751) 6.185 15.426 ( 2.649 -5.596 2.190) 6.568 15.570 ( -2.139 -3.148 4.228) 5.689 15.671 ( -2.654 -4.594 4.221) 6.780 15.892 ( 0.045 4.748 0.356) 4.761 15.961 ( 0.346 3.551 0.879) 3.675 16.422 ( -0.545 1.303 -6.305) 6.462 16.457 ( -0.094 0.976 -6.852) 6.922 ======================= Grid point 82 (33/60) ======================= q-point: (-0.50 0.29 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 5.98e-04 5.98e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 85 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.267 ( 0.000 6.840 8.799) 11.145 1.336 ( -0.000 4.544 7.390) 8.675 1.433 ( 0.000 2.277 6.874) 7.241 1.446 ( -0.000 4.400 6.100) 7.521 1.515 ( 0.000 6.609 2.884) 7.211 1.562 ( 0.000 4.641 2.298) 5.179 1.694 ( 0.000 -0.510 2.836) 2.882 1.715 ( 0.000 -0.308 3.347) 3.361 1.781 ( 0.000 2.136 0.591) 2.216 1.817 ( 0.000 3.756 0.570) 3.799 1.878 ( 0.000 -0.980 -0.080) 0.984 1.910 ( 0.000 -0.942 -0.980) 1.359 2.041 ( 0.000 1.048 5.506) 5.605 2.161 ( 0.000 3.885 1.492) 4.161 2.250 ( 0.000 1.277 2.802) 3.079 2.320 ( 0.000 3.402 3.507) 4.885 2.470 ( 0.000 0.488 9.452) 9.465 2.557 ( 0.000 -3.795 3.602) 5.232 2.599 ( 0.000 4.346 8.450) 9.502 2.765 ( 0.000 4.173 4.017) 5.792 2.881 ( 0.000 5.561 0.546) 5.588 2.928 ( -0.000 1.699 2.183) 2.767 3.006 ( 0.000 0.793 -1.003) 1.278 3.016 ( -0.000 0.240 -1.496) 1.515 3.761 ( 0.000 0.641 -0.783) 1.012 3.790 ( 0.000 0.946 -0.010) 0.946 3.878 ( 0.000 1.877 -3.359) 3.848 3.921 ( 0.000 2.396 -3.243) 4.032 4.604 ( 0.000 0.920 2.245) 2.426 4.655 ( 0.000 1.678 1.335) 2.144 4.771 ( 0.000 -2.844 -0.586) 2.904 4.857 ( 0.000 -0.779 0.028) 0.779 5.213 ( 0.000 0.108 -0.177) 0.208 5.242 ( -0.000 -1.516 -1.129) 1.890 5.243 ( 0.000 -2.142 2.179) 3.056 5.311 ( 0.000 1.085 4.756) 4.878 5.456 ( 0.000 -0.351 -0.758) 0.835 5.520 ( 0.000 -0.811 4.111) 4.191 5.641 ( 0.000 -2.145 -1.331) 2.524 5.758 ( 0.000 -0.302 0.250) 0.392 6.593 ( 0.000 -2.147 1.511) 2.625 6.667 ( 0.000 -0.760 3.110) 3.201 6.703 ( 0.000 -1.348 2.325) 2.688 6.789 ( 0.000 -0.248 0.145) 0.288 6.915 ( 0.000 -0.209 -0.994) 1.016 6.924 ( -0.000 0.447 0.383) 0.589 6.993 ( 0.000 0.757 -0.585) 0.957 7.032 ( 0.000 1.043 0.117) 1.049 7.252 ( 0.000 -0.654 5.240) 5.280 7.278 ( 0.000 0.165 4.145) 4.148 7.461 ( 0.000 -2.270 -1.377) 2.655 7.514 ( 0.000 -1.430 -0.423) 1.491 8.156 ( 0.000 -0.828 1.567) 1.772 8.213 ( 0.000 0.166 1.343) 1.353 8.256 ( 0.000 -1.090 0.336) 1.141 8.278 ( -0.000 -0.681 0.343) 0.762 8.645 ( 0.000 -0.320 0.516) 0.608 8.713 ( 0.000 0.544 3.002) 3.051 8.802 ( 0.000 0.331 -0.988) 1.042 8.922 ( 0.000 2.110 1.191) 2.423 9.155 ( 0.000 -2.846 -2.912) 4.072 9.158 ( 0.000 -2.636 -1.541) 3.053 9.407 ( 0.000 -1.343 -4.460) 4.657 9.438 ( 0.000 -1.168 -3.810) 3.985 9.798 ( -0.000 0.838 -1.154) 1.426 9.820 ( 0.000 2.393 -0.312) 2.413 9.888 ( 0.000 1.822 -2.910) 3.433 9.963 ( 0.000 2.453 -2.443) 3.462 11.734 ( 0.000 -0.518 0.743) 0.906 11.753 ( 0.000 -0.217 1.101) 1.122 11.791 ( 0.000 -1.723 -0.112) 1.726 11.815 ( 0.000 -1.194 1.053) 1.592 14.907 ( 0.000 -1.760 4.885) 5.192 15.015 ( 0.000 -0.479 3.812) 3.842 15.029 ( 0.000 1.088 6.678) 6.766 15.165 ( 0.000 -2.558 3.571) 4.393 15.207 ( 0.000 -2.918 4.349) 5.237 15.485 ( 0.000 -2.066 6.129) 6.468 15.515 ( 0.000 -5.255 0.754) 5.309 15.639 ( 0.000 -3.914 4.174) 5.722 15.895 ( 0.000 3.292 0.122) 3.295 15.963 ( 0.000 3.685 1.754) 4.081 16.416 ( 0.000 1.047 -7.396) 7.470 16.454 ( 0.000 1.338 -6.481) 6.618 ======================= Grid point 85 (34/60) ======================= q-point: ( 0.00 0.43 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 5.98e-04 5.98e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 87 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.347 ( 0.000 9.529 5.541) 11.023 1.421 ( 0.000 2.742 6.195) 6.775 1.490 ( 0.000 -0.234 1.790) 1.805 1.491 ( 0.000 1.024 1.665) 1.955 1.564 ( 0.000 -2.806 4.452) 5.263 1.570 ( 0.000 -1.202 3.619) 3.814 1.731 ( 0.000 1.960 3.394) 3.919 1.741 ( 0.000 0.541 -0.237) 0.590 1.815 ( 0.000 -0.056 2.425) 2.425 1.821 ( 0.000 -1.163 1.154) 1.638 1.884 ( 0.000 2.430 -1.453) 2.831 1.905 ( 0.000 -0.173 -1.708) 1.716 2.123 ( 0.000 0.920 2.694) 2.847 2.127 ( 0.000 0.721 1.665) 1.814 2.340 ( 0.000 1.141 3.731) 3.902 2.346 ( 0.000 0.626 4.401) 4.446 2.437 ( 0.000 1.595 7.157) 7.332 2.455 ( 0.000 -0.258 6.020) 6.025 2.669 ( 0.000 5.178 7.815) 9.375 2.729 ( 0.000 -1.278 5.160) 5.315 2.822 ( 0.000 3.991 1.749) 4.358 2.864 ( 0.000 -0.224 0.172) 0.283 3.211 ( 0.000 2.168 0.604) 2.250 3.257 ( 0.000 -2.377 -0.537) 2.437 3.744 ( 0.000 3.034 0.794) 3.136 3.794 ( 0.000 -1.456 -0.256) 1.478 3.921 ( 0.000 2.103 -2.734) 3.450 3.955 ( 0.000 -0.774 -3.700) 3.781 4.636 ( 0.000 2.910 1.881) 3.465 4.680 ( 0.000 -0.488 1.676) 1.745 4.766 ( 0.000 0.179 0.197) 0.266 4.805 ( 0.000 -2.378 0.900) 2.543 5.212 ( 0.000 -1.126 -0.680) 1.315 5.216 ( 0.000 -1.506 -0.701) 1.661 5.261 ( 0.000 0.570 2.215) 2.287 5.293 ( 0.000 -2.983 2.736) 4.048 5.427 ( 0.000 1.538 3.915) 4.206 5.439 ( 0.000 0.301 1.429) 1.460 5.703 ( 0.000 1.804 -0.242) 1.820 5.750 ( 0.000 -2.477 -0.554) 2.538 6.576 ( 0.000 0.359 3.008) 3.030 6.600 ( 0.000 -2.239 2.501) 3.357 6.705 ( 0.000 1.531 1.131) 1.903 6.744 ( 0.000 -2.086 1.380) 2.502 6.955 ( 0.000 0.736 -0.821) 1.103 6.958 ( 0.000 0.337 -0.853) 0.918 6.985 ( 0.000 1.027 1.171) 1.558 7.009 ( 0.000 -1.182 -0.331) 1.227 7.252 ( 0.000 0.349 5.099) 5.111 7.274 ( 0.000 -1.984 4.657) 5.062 7.452 ( 0.000 1.991 -0.720) 2.117 7.485 ( 0.000 -1.436 -0.744) 1.617 8.115 ( 0.000 0.477 0.723) 0.867 8.128 ( 0.000 -0.868 0.757) 1.152 8.312 ( 0.000 1.154 1.574) 1.951 8.336 ( 0.000 -1.253 0.854) 1.516 8.624 ( 0.000 1.593 0.558) 1.688 8.656 ( 0.000 -1.636 0.465) 1.701 8.895 ( 0.000 1.578 0.667) 1.713 8.911 ( 0.000 -0.070 0.681) 0.685 9.109 ( 0.000 -0.327 -2.358) 2.380 9.125 ( 0.000 -1.990 -2.322) 3.058 9.383 ( 0.000 1.176 -4.152) 4.316 9.425 ( 0.000 -3.060 -3.962) 5.006 9.809 ( 0.000 1.396 -0.840) 1.629 9.819 ( 0.000 0.410 -1.057) 1.134 9.978 ( 0.000 1.492 -2.293) 2.736 9.992 ( 0.000 0.078 -2.454) 2.456 11.735 ( 0.000 0.404 0.316) 0.513 11.750 ( 0.000 -1.101 -0.034) 1.102 11.765 ( 0.000 0.027 1.225) 1.225 11.776 ( 0.000 -1.044 0.978) 1.430 14.926 ( 0.000 1.507 4.389) 4.641 14.959 ( 0.000 -1.681 4.355) 4.668 15.062 ( 0.000 -0.210 4.602) 4.607 15.084 ( 0.000 -2.528 6.210) 6.705 15.188 ( 0.000 3.032 2.003) 3.633 15.272 ( 0.000 -5.695 1.468) 5.881 15.560 ( 0.000 0.333 5.261) 5.272 15.606 ( 0.000 -4.237 5.142) 6.663 15.985 ( 0.000 2.840 -0.321) 2.858 16.001 ( 0.000 1.076 -0.039) 1.077 16.458 ( 0.000 0.950 -5.411) 5.493 16.465 ( 0.000 0.180 -6.281) 6.283 ======================= Grid point 86 (35/60) ======================= q-point: ( 0.25 0.43 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 5.98e-04 5.98e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.352 ( 0.931 7.837 6.385) 10.152 1.433 ( 0.167 -0.087 4.088) 4.093 1.456 ( -2.309 0.859 3.535) 4.308 1.493 ( -0.236 0.456 2.312) 2.369 1.567 ( 1.730 1.188 5.475) 5.863 1.610 ( 2.550 -0.966 2.833) 3.932 1.702 ( -2.443 1.563 4.099) 5.021 1.732 ( -1.920 -1.261 1.717) 2.868 1.815 ( 1.137 1.874 1.037) 2.425 1.842 ( 1.505 -0.903 1.630) 2.396 1.881 ( -0.183 1.626 -1.302) 2.091 1.909 ( 0.108 0.469 -1.831) 1.893 2.068 ( -1.510 0.857 3.772) 4.152 2.202 ( 3.031 0.284 1.505) 3.396 2.291 ( -2.615 1.635 3.383) 4.578 2.354 ( -0.618 0.156 1.359) 1.501 2.459 ( 1.734 1.117 7.886) 8.151 2.476 ( 1.577 -0.953 6.934) 7.175 2.677 ( -0.424 2.643 8.154) 8.583 2.771 ( 4.145 1.245 4.318) 6.113 2.850 ( 2.991 3.313 1.722) 4.784 2.890 ( 3.478 0.218 -0.405) 3.508 3.134 ( -6.812 1.906 0.083) 7.074 3.189 ( -6.610 -1.181 -0.356) 6.724 3.759 ( 1.201 1.966 0.101) 2.306 3.803 ( 0.648 -0.478 0.003) 0.805 3.917 ( -0.500 1.383 -3.014) 3.353 3.952 ( -0.094 0.119 -3.182) 3.186 4.637 ( 0.168 2.855 1.918) 3.444 4.680 ( 0.048 -0.332 1.576) 1.612 4.734 ( -1.872 -1.731 0.410) 2.583 4.837 ( 1.755 -0.310 0.851) 1.975 5.188 ( -1.325 -1.570 1.033) 2.299 5.199 ( -1.891 -2.804 1.794) 3.828 5.245 ( 0.246 0.329 -0.813) 0.910 5.326 ( 0.750 -0.098 1.853) 2.001 5.449 ( 2.805 0.178 3.486) 4.478 5.471 ( 2.171 1.099 1.843) 3.052 5.659 ( -3.599 -0.111 -0.724) 3.673 5.751 ( -0.239 -1.089 -0.353) 1.169 6.562 ( -0.589 -0.878 2.271) 2.505 6.624 ( 1.333 -1.299 4.137) 4.537 6.699 ( -0.295 0.591 1.267) 1.429 6.767 ( 1.716 -0.816 0.451) 1.953 6.926 ( -1.116 0.158 -0.369) 1.186 6.952 ( -1.622 0.674 0.187) 1.766 6.994 ( 1.324 0.340 -0.810) 1.589 7.032 ( 1.163 -0.081 -0.249) 1.192 7.246 ( -0.348 0.028 5.644) 5.654 7.278 ( 0.229 -1.067 4.603) 4.730 7.438 ( -0.925 0.529 -0.830) 1.350 7.489 ( 0.149 -1.011 -0.576) 1.173 8.122 ( 1.138 -0.030 1.193) 1.649 8.165 ( 2.842 -0.529 0.865) 3.018 8.278 ( -2.610 0.603 1.061) 2.881 8.315 ( -2.206 -0.732 0.746) 2.441 8.636 ( 0.822 0.707 0.236) 1.110 8.685 ( 2.568 -0.474 1.219) 2.882 8.851 ( -2.826 0.726 -0.207) 2.925 8.937 ( 1.072 0.605 1.247) 1.752 9.111 ( 0.259 -0.491 -2.504) 2.565 9.124 ( -0.139 -1.704 -2.177) 2.768 9.384 ( -0.017 0.194 -4.157) 4.162 9.421 ( -0.258 -1.865 -3.724) 4.172 9.811 ( 0.160 0.918 -1.108) 1.447 9.832 ( 1.222 0.718 -0.953) 1.708 9.948 ( -2.254 0.860 -2.581) 3.533 9.997 ( 0.069 0.782 -2.396) 2.522 11.731 ( -0.237 0.067 0.392) 0.463 11.754 ( -0.179 -0.177 0.605) 0.655 11.759 ( 0.186 -0.903 0.188) 0.941 11.788 ( 0.670 -0.682 1.230) 1.558 14.896 ( -1.405 -0.297 4.418) 4.645 14.993 ( 1.736 -0.027 4.207) 4.551 15.057 ( -0.284 0.717 5.220) 5.276 15.097 ( 0.744 -2.818 6.211) 6.861 15.170 ( -0.479 0.048 1.654) 1.722 15.335 ( 4.965 -2.970 2.172) 6.180 15.531 ( -2.952 -0.576 4.829) 5.689 15.587 ( -1.443 -3.260 4.631) 5.844 15.962 ( -1.255 2.046 -0.212) 2.409 16.014 ( 0.532 1.622 0.784) 1.878 16.444 ( -0.766 0.664 -6.422) 6.501 16.473 ( 0.301 0.548 -5.841) 5.875 ======================= Grid point 87 (36/60) ======================= q-point: (-0.50 0.43 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 5.98e-04 5.98e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 85 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.382 ( 0.000 4.434 5.695) 7.218 1.400 ( 0.000 2.670 5.185) 5.832 1.441 ( 0.000 -1.178 3.705) 3.888 1.489 ( 0.000 -0.093 3.016) 3.017 1.621 ( -0.000 2.318 3.053) 3.833 1.626 ( 0.000 3.985 6.031) 7.229 1.675 ( 0.000 -1.159 2.706) 2.944 1.686 ( -0.000 -2.236 4.580) 5.096 1.835 ( 0.000 2.419 0.922) 2.589 1.868 ( -0.000 -0.453 0.173) 0.485 1.873 ( 0.000 0.991 -0.446) 1.086 1.909 ( 0.000 0.966 -1.990) 2.212 2.057 ( 0.000 0.475 5.398) 5.419 2.236 ( 0.000 3.386 1.011) 3.533 2.256 ( 0.000 -0.282 2.807) 2.821 2.342 ( 0.000 -1.067 -0.471) 1.167 2.476 ( 0.000 0.224 9.321) 9.324 2.505 ( 0.000 -1.247 6.562) 6.679 2.662 ( 0.000 1.847 7.205) 7.438 2.818 ( 0.000 1.007 5.360) 5.453 2.964 ( 0.000 2.066 1.749) 2.707 2.978 ( -0.000 3.377 -1.379) 3.648 3.023 ( 0.000 0.174 -0.119) 0.211 3.023 ( -0.000 0.280 -0.988) 1.027 3.775 ( 0.000 0.550 -0.715) 0.902 3.810 ( 0.000 0.819 0.526) 0.973 3.908 ( 0.000 0.980 -3.231) 3.376 3.952 ( 0.000 0.753 -2.804) 2.903 4.641 ( 0.000 2.572 2.080) 3.308 4.682 ( 0.000 0.717 1.278) 1.466 4.711 ( 0.000 -3.095 0.525) 3.139 4.856 ( 0.000 0.641 0.946) 1.143 5.168 ( 0.000 -3.621 4.034) 5.421 5.183 ( 0.000 -1.481 -0.166) 1.490 5.247 ( 0.000 0.616 -1.366) 1.498 5.329 ( 0.000 0.459 2.169) 2.217 5.490 ( 0.000 2.467 1.067) 2.687 5.510 ( 0.000 -0.204 4.982) 4.987 5.600 ( 0.000 -1.942 -2.266) 2.984 5.745 ( 0.000 -0.647 -0.314) 0.720 6.557 ( 0.000 -1.216 2.203) 2.516 6.639 ( 0.000 -1.172 4.953) 5.090 6.697 ( 0.000 0.029 1.301) 1.301 6.789 ( 0.000 0.054 -0.237) 0.243 6.921 ( 0.000 0.427 0.203) 0.473 6.926 ( -0.000 -0.002 -0.323) 0.323 7.010 ( 0.000 0.595 -0.871) 1.055 7.044 ( 0.000 0.233 -0.678) 0.717 7.242 ( 0.000 -0.281 6.259) 6.265 7.280 ( 0.000 0.031 4.508) 4.508 7.428 ( 0.000 -1.004 -0.936) 1.373 7.490 ( 0.000 -0.743 -0.408) 0.848 8.144 ( 0.000 -0.343 1.914) 1.945 8.210 ( 0.000 -0.235 1.549) 1.567 8.244 ( 0.000 -0.167 0.269) 0.317 8.272 ( 0.000 -0.106 0.132) 0.169 8.646 ( 0.000 0.154 0.007) 0.154 8.727 ( 0.000 0.607 2.811) 2.876 8.808 ( 0.000 0.222 -1.735) 1.749 8.948 ( 0.000 0.644 1.500) 1.633 9.116 ( 0.000 -1.036 -3.352) 3.508 9.121 ( 0.000 -1.036 -1.339) 1.693 9.383 ( 0.000 -0.863 -4.177) 4.265 9.419 ( 0.000 -0.625 -3.473) 3.528 9.813 ( 0.000 0.547 -1.324) 1.432 9.855 ( 0.000 1.000 -0.464) 1.102 9.913 ( 0.000 0.692 -3.225) 3.299 9.997 ( 0.000 0.961 -2.417) 2.601 11.728 ( 0.000 -0.045 0.463) 0.465 11.750 ( 0.000 -0.066 0.765) 0.767 11.763 ( 0.000 -0.946 -0.183) 0.963 11.796 ( 0.000 -0.617 1.303) 1.441 14.882 ( 0.000 -0.738 4.461) 4.522 15.012 ( 0.000 0.053 3.879) 3.879 15.053 ( 0.000 1.483 5.661) 5.851 15.103 ( 0.000 -2.746 5.851) 6.463 15.172 ( 0.000 -1.116 2.303) 2.559 15.439 ( 0.000 -2.244 0.863) 2.405 15.449 ( -0.000 -1.126 6.150) 6.253 15.569 ( 0.000 -2.414 4.091) 4.750 15.949 ( 0.000 1.675 -0.028) 1.675 16.019 ( 0.000 1.693 1.524) 2.278 16.435 ( 0.000 0.626 -6.955) 6.983 16.476 ( 0.000 0.675 -5.881) 5.920 ======================= Grid point 105 (37/60) ======================= q-point: ( 0.00 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 5.98e-04 5.98e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.169 ( 0.000 0.000 9.500) 9.500 1.214 ( 0.000 0.000 13.769) 13.769 1.315 ( 0.000 0.000 -0.215) 0.215 1.379 ( 0.000 0.000 0.963) 0.963 1.389 ( 0.000 0.000 3.424) 3.424 1.628 ( 0.000 0.000 3.209) 3.209 1.632 ( 0.000 0.000 -3.940) 3.940 1.747 ( 0.000 0.000 -1.566) 1.566 1.789 ( 0.000 0.000 6.177) 6.177 1.873 ( 0.000 0.000 -0.770) 0.770 1.894 ( 0.000 0.000 0.710) 0.710 1.916 ( 0.000 0.000 0.104) 0.104 2.007 ( 0.000 0.000 3.721) 3.721 2.189 ( 0.000 0.000 1.357) 1.357 2.195 ( 0.000 0.000 1.044) 1.044 2.205 ( 0.000 0.000 0.911) 0.911 2.529 ( 0.000 0.000 3.082) 3.082 2.564 ( 0.000 0.000 1.441) 1.441 2.671 ( 0.000 0.000 0.158) 0.158 2.711 ( 0.000 0.000 3.687) 3.687 2.739 ( 0.000 0.000 10.449) 10.449 2.903 ( 0.000 0.000 0.008) 0.008 3.216 ( 0.000 0.000 0.778) 0.778 3.259 ( 0.000 0.000 -1.719) 1.719 3.667 ( 0.000 0.000 0.131) 0.131 3.685 ( 0.000 0.000 -1.280) 1.280 3.823 ( 0.000 0.000 -2.253) 2.253 3.860 ( 0.000 0.000 -2.913) 2.913 4.711 ( 0.000 0.000 9.420) 9.420 4.711 ( 0.000 0.000 3.151) 3.151 4.834 ( 0.000 0.000 -0.970) 0.970 4.861 ( 0.000 0.000 2.390) 2.390 5.194 ( 0.000 0.000 -0.911) 0.911 5.224 ( 0.000 0.000 1.465) 1.465 5.227 ( 0.000 0.000 -3.257) 3.257 5.328 ( 0.000 0.000 -2.263) 2.263 5.588 ( 0.000 0.000 4.509) 4.509 5.630 ( 0.000 0.000 2.262) 2.262 5.715 ( 0.000 0.000 -0.399) 0.399 5.715 ( 0.000 0.000 -0.865) 0.865 6.665 ( 0.000 0.000 2.327) 2.327 6.744 ( 0.000 0.000 2.339) 2.339 6.769 ( 0.000 0.000 1.958) 1.958 6.835 ( 0.000 0.000 -2.963) 2.963 6.890 ( 0.000 0.000 -1.144) 1.144 6.914 ( 0.000 0.000 -1.579) 1.579 6.940 ( 0.000 0.000 -2.034) 2.034 6.940 ( 0.000 0.000 -0.442) 0.442 7.343 ( 0.000 0.000 1.827) 1.827 7.389 ( 0.000 0.000 -0.655) 0.655 7.420 ( 0.000 0.000 4.149) 4.149 7.538 ( 0.000 0.000 -0.226) 0.226 8.119 ( 0.000 0.000 0.787) 0.787 8.174 ( 0.000 0.000 -1.107) 1.107 8.351 ( 0.000 0.000 2.046) 2.046 8.376 ( 0.000 0.000 0.026) 0.026 8.734 ( 0.000 0.000 2.389) 2.389 8.771 ( 0.000 0.000 3.142) 3.142 8.792 ( 0.000 0.000 0.133) 0.133 8.840 ( 0.000 0.000 1.012) 1.012 9.205 ( 0.000 0.000 0.592) 0.592 9.220 ( 0.000 0.000 -1.614) 1.614 9.276 ( 0.000 0.000 -4.950) 4.950 9.388 ( 0.000 0.000 -5.637) 5.637 9.724 ( 0.000 0.000 -0.925) 0.925 9.758 ( 0.000 0.000 -2.889) 2.889 9.847 ( 0.000 0.000 0.321) 0.321 9.893 ( 0.000 0.000 -1.524) 1.524 11.778 ( 0.000 0.000 1.882) 1.882 11.816 ( 0.000 0.000 0.460) 0.460 11.818 ( 0.000 0.000 0.675) 0.675 11.837 ( 0.000 0.000 -0.501) 0.501 15.050 ( 0.000 0.000 3.551) 3.551 15.109 ( 0.000 0.000 3.336) 3.336 15.122 ( 0.000 0.000 0.658) 0.658 15.124 ( 0.000 0.000 2.411) 2.411 15.452 ( 0.000 0.000 5.445) 5.445 15.590 ( 0.000 0.000 -0.655) 0.655 15.676 ( 0.000 0.000 1.019) 1.019 15.705 ( 0.000 0.000 -0.431) 0.431 15.932 ( 0.000 0.000 6.293) 6.293 16.008 ( 0.000 0.000 7.456) 7.456 16.265 ( 0.000 0.000 -8.915) 8.915 16.289 ( 0.000 0.000 -5.607) 5.607 ======================= Grid point 106 (38/60) ======================= q-point: ( 0.25 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 5.98e-04 5.98e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.196 ( 2.353 0.000 7.976) 8.316 1.257 ( 1.572 0.000 8.543) 8.686 1.324 ( 0.824 0.000 -0.125) 0.833 1.370 ( -0.942 0.000 0.908) 1.309 1.422 ( 4.163 0.000 6.134) 7.414 1.597 ( -2.814 0.000 4.922) 5.670 1.667 ( 2.697 0.000 -2.964) 4.007 1.741 ( -0.747 0.000 -1.633) 1.796 1.802 ( 1.335 0.000 4.673) 4.860 1.867 ( -1.095 0.000 0.708) 1.304 1.897 ( 0.522 0.000 -0.773) 0.933 1.916 ( -0.174 0.000 -0.765) 0.785 2.047 ( 3.981 0.000 5.063) 6.440 2.189 ( 2.789 0.000 4.621) 5.397 2.228 ( 2.030 0.000 1.334) 2.429 2.292 ( 0.965 0.000 0.816) 1.264 2.502 ( 4.022 0.000 3.140) 5.103 2.593 ( 2.440 0.000 0.423) 2.476 2.675 ( 0.326 0.000 2.177) 2.202 2.714 ( -0.225 0.000 2.274) 2.285 2.753 ( 1.186 0.000 8.841) 8.920 2.924 ( 2.187 0.000 -0.048) 2.188 3.091 ( -10.819 0.000 1.842) 10.975 3.190 ( -7.399 0.000 -2.030) 7.672 3.689 ( 1.976 0.000 -0.419) 2.020 3.710 ( 2.412 0.000 -1.598) 2.894 3.795 ( -2.413 0.000 -1.915) 3.081 3.836 ( -2.343 0.000 -2.871) 3.706 4.708 ( -0.246 0.000 4.004) 4.011 4.708 ( -0.214 0.000 8.632) 8.634 4.836 ( 0.260 0.000 -0.536) 0.595 4.858 ( -0.410 0.000 1.857) 1.902 5.198 ( 0.456 0.000 -0.858) 0.972 5.218 ( -0.496 0.000 0.912) 1.038 5.234 ( 0.759 0.000 -3.193) 3.282 5.310 ( -1.757 0.000 -2.473) 3.034 5.589 ( 0.287 0.000 4.475) 4.484 5.619 ( -0.895 0.000 2.969) 3.101 5.720 ( 0.375 0.000 -0.629) 0.732 5.721 ( 0.369 0.000 -0.907) 0.979 6.668 ( 0.352 0.000 2.277) 2.304 6.714 ( -1.915 0.000 2.436) 3.099 6.778 ( 0.307 0.000 0.467) 0.559 6.818 ( -1.441 0.000 -2.390) 2.791 6.891 ( 0.523 0.000 -0.794) 0.951 6.923 ( -0.758 0.000 -0.688) 1.024 6.939 ( 1.504 0.000 -1.540) 2.152 6.957 ( 0.634 0.000 -1.744) 1.856 7.341 ( 0.538 0.000 3.205) 3.250 7.403 ( -1.523 0.000 4.433) 4.687 7.436 ( 3.439 0.000 -1.535) 3.766 7.534 ( -0.726 0.000 -0.974) 1.215 8.147 ( 2.738 0.000 1.202) 2.990 8.210 ( 3.195 0.000 -1.215) 3.418 8.307 ( -3.703 0.000 1.949) 4.185 8.354 ( -2.428 0.000 -0.440) 2.467 8.752 ( 1.385 0.000 2.513) 2.869 8.773 ( 0.161 0.000 3.113) 3.117 8.805 ( 1.096 0.000 0.344) 1.149 8.838 ( -0.241 0.000 0.927) 0.958 9.202 ( -0.112 0.000 0.215) 0.242 9.214 ( -0.510 0.000 -1.371) 1.463 9.293 ( 1.483 0.000 -5.120) 5.331 9.371 ( -1.621 0.000 -5.731) 5.956 9.729 ( 0.815 0.000 -0.332) 0.880 9.775 ( 1.657 0.000 -2.485) 2.987 9.821 ( -2.402 0.000 0.361) 2.429 9.870 ( -2.089 0.000 -1.656) 2.666 11.780 ( 0.223 0.000 1.851) 1.865 11.800 ( -0.760 0.000 1.240) 1.454 11.833 ( 0.618 0.000 -0.085) 0.624 11.839 ( 0.171 0.000 -0.534) 0.560 15.065 ( 1.260 0.000 3.703) 3.912 15.103 ( -0.386 0.000 3.750) 3.770 15.129 ( 0.520 0.000 1.055) 1.176 15.131 ( 0.442 0.000 2.053) 2.100 15.476 ( 2.267 0.000 5.520) 5.968 15.616 ( -3.966 0.000 3.313) 5.168 15.623 ( 2.990 0.000 -0.930) 3.131 15.725 ( -0.025 0.000 -2.215) 2.215 15.936 ( 0.507 0.000 6.127) 6.148 15.985 ( -1.806 0.000 7.484) 7.698 16.257 ( -0.585 0.000 -8.611) 8.631 16.275 ( -1.239 0.000 -6.270) 6.392 ======================= Grid point 107 (39/60) ======================= q-point: (-0.50 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 5.98e-04 5.98e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.245 ( -1.339 0.000 5.971) 6.119 1.245 ( 1.339 0.000 5.971) 6.119 1.346 ( -0.736 0.000 0.198) 0.762 1.346 ( 0.736 0.000 0.198) 0.762 1.522 ( -4.481 0.000 6.961) 8.279 1.522 ( 4.481 0.000 6.961) 8.279 1.715 ( -1.784 0.000 -1.857) 2.575 1.715 ( 1.784 0.000 -1.857) 2.575 1.835 ( -1.750 0.000 2.459) 3.018 1.835 ( 1.750 0.000 2.459) 3.018 1.909 ( -0.179 0.000 -1.217) 1.230 1.909 ( 0.179 0.000 -1.217) 1.230 2.159 ( -6.234 0.000 5.763) 8.489 2.159 ( 6.234 0.000 5.763) 8.489 2.265 ( -0.724 0.000 2.620) 2.719 2.265 ( 0.724 0.000 2.620) 2.719 2.644 ( -4.922 0.000 4.768) 6.853 2.644 ( 4.922 0.000 4.768) 6.853 2.685 ( -2.073 0.000 -1.123) 2.358 2.685 ( 2.073 0.000 -1.123) 2.358 2.846 ( -10.474 0.000 4.778) 11.512 2.846 ( 10.474 0.000 4.778) 11.512 3.013 ( -7.528 0.000 -1.249) 7.631 3.013 ( 7.528 0.000 -1.249) 7.631 3.739 ( -2.489 0.000 -1.325) 2.820 3.739 ( 2.489 0.000 -1.325) 2.820 3.773 ( -3.455 0.000 -2.304) 4.152 3.773 ( 3.455 0.000 -2.304) 4.152 4.705 ( -0.001 0.000 6.320) 6.320 4.705 ( 0.001 0.000 6.320) 6.320 4.846 ( -0.149 0.000 0.605) 0.623 4.846 ( 0.149 0.000 0.605) 0.623 5.208 ( -0.069 0.000 -0.198) 0.209 5.208 ( 0.069 0.000 -0.198) 0.209 5.266 ( -1.343 0.000 -2.879) 3.177 5.266 ( 1.343 0.000 -2.879) 3.177 5.601 ( -0.186 0.000 3.985) 3.989 5.601 ( 0.186 0.000 3.985) 3.989 5.725 ( -0.000 0.000 -0.857) 0.857 5.725 ( 0.000 0.000 -0.857) 0.857 6.682 ( -0.435 0.000 2.257) 2.299 6.682 ( 0.435 0.000 2.257) 2.299 6.790 ( -0.891 0.000 -1.267) 1.549 6.790 ( 0.891 0.000 -1.267) 1.549 6.907 ( -0.567 0.000 -0.432) 0.712 6.907 ( 0.567 0.000 -0.432) 0.712 6.960 ( -0.360 0.000 -1.739) 1.776 6.960 ( 0.360 0.000 -1.739) 1.776 7.367 ( -1.659 0.000 4.387) 4.690 7.367 ( 1.659 0.000 4.387) 4.690 7.501 ( -1.929 0.000 -1.818) 2.651 7.501 ( 1.929 0.000 -1.818) 2.651 8.222 ( -4.098 0.000 1.712) 4.442 8.222 ( 4.098 0.000 1.712) 4.442 8.286 ( -3.942 0.000 -1.067) 4.084 8.286 ( 3.942 0.000 -1.067) 4.084 8.772 ( -0.057 0.000 2.871) 2.872 8.772 ( 0.057 0.000 2.871) 2.872 8.827 ( -0.161 0.000 0.674) 0.693 8.827 ( 0.161 0.000 0.674) 0.693 9.204 ( -0.185 0.000 -0.625) 0.652 9.204 ( 0.185 0.000 -0.625) 0.652 9.331 ( -1.585 0.000 -5.540) 5.763 9.331 ( 1.585 0.000 -5.540) 5.763 9.765 ( -2.629 0.000 0.333) 2.650 9.765 ( 2.629 0.000 0.333) 2.650 9.820 ( -1.803 0.000 -2.009) 2.699 9.820 ( 1.803 0.000 -2.009) 2.699 11.788 ( -0.228 0.000 1.688) 1.703 11.788 ( 0.228 0.000 1.688) 1.703 11.840 ( -0.012 0.000 -0.472) 0.472 11.840 ( 0.012 0.000 -0.472) 0.472 15.090 ( -0.230 0.000 3.901) 3.908 15.090 ( 0.230 0.000 3.901) 3.908 15.136 ( -0.000 0.000 1.702) 1.702 15.136 ( 0.000 0.000 1.702) 1.702 15.537 ( -1.281 0.000 5.080) 5.239 15.537 ( 1.281 0.000 5.080) 5.239 15.691 ( -1.394 0.000 -1.907) 2.362 15.691 ( 1.394 0.000 -1.907) 2.362 15.953 ( -0.473 0.000 6.522) 6.539 15.953 ( 0.473 0.000 6.522) 6.539 16.254 ( -0.118 0.000 -7.607) 7.608 16.254 ( 0.118 0.000 -7.607) 7.608 ======================= Grid point 110 (40/60) ======================= q-point: ( 0.00 0.14 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 5.98e-04 5.98e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.247 ( 0.000 3.637 12.260) 12.788 1.291 ( 0.000 10.209 7.031) 12.396 1.405 ( 0.000 7.438 0.250) 7.442 1.448 ( 0.000 5.582 0.690) 5.624 1.458 ( 0.000 6.137 2.849) 6.766 1.614 ( 0.000 -0.746 1.492) 1.668 1.652 ( 0.000 1.956 -1.544) 2.492 1.745 ( 0.000 0.190 -1.633) 1.644 1.788 ( 0.000 0.044 5.616) 5.617 1.864 ( 0.000 -2.091 1.544) 2.599 1.865 ( 0.000 -0.784 -0.716) 1.062 1.919 ( 0.000 -0.703 -1.521) 1.675 2.038 ( 0.000 3.054 2.936) 4.237 2.163 ( 0.000 -0.796 0.966) 1.252 2.248 ( 0.000 5.269 1.843) 5.582 2.273 ( 0.000 4.866 2.085) 5.294 2.532 ( 0.000 0.282 2.460) 2.476 2.555 ( 0.000 -0.700 2.116) 2.229 2.692 ( 0.000 2.219 0.540) 2.284 2.723 ( 0.000 0.838 6.008) 6.066 2.753 ( 0.000 1.939 7.454) 7.702 2.895 ( 0.000 -0.617 0.592) 0.855 3.211 ( 0.000 -0.415 0.976) 1.060 3.260 ( 0.000 0.045 -1.796) 1.796 3.679 ( 0.000 1.226 0.483) 1.317 3.704 ( 0.000 1.927 -1.096) 2.217 3.836 ( 0.000 1.271 -2.626) 2.917 3.859 ( 0.000 -0.074 -2.811) 2.812 4.693 ( 0.000 -1.219 7.656) 7.753 4.708 ( 0.000 -0.036 3.690) 3.690 4.853 ( 0.000 1.410 0.470) 1.487 4.854 ( 0.000 -0.872 2.195) 2.362 5.203 ( 0.000 0.798 -0.437) 0.910 5.220 ( 0.000 -0.474 -2.598) 2.640 5.241 ( 0.000 1.450 0.785) 1.649 5.347 ( 0.000 1.661 -2.332) 2.863 5.566 ( 0.000 -2.094 4.530) 4.990 5.573 ( 0.000 -4.940 2.495) 5.534 5.703 ( 0.000 -0.998 -0.404) 1.076 5.740 ( 0.000 1.498 -1.303) 1.986 6.643 ( 0.000 -1.649 2.078) 2.653 6.735 ( 0.000 -3.139 0.112) 3.141 6.753 ( 0.000 0.323 2.670) 2.690 6.819 ( 0.000 -0.809 -0.603) 1.009 6.906 ( 0.000 -0.161 -1.414) 1.423 6.922 ( 0.000 1.934 -0.460) 1.988 6.947 ( 0.000 0.781 -2.833) 2.939 6.959 ( 0.000 1.272 -0.429) 1.343 7.349 ( 0.000 0.443 2.340) 2.382 7.386 ( 0.000 -0.320 0.001) 0.320 7.418 ( 0.000 -0.123 3.513) 3.515 7.528 ( 0.000 -1.047 -0.345) 1.102 8.118 ( 0.000 0.007 0.831) 0.831 8.169 ( 0.000 -0.503 -0.784) 0.931 8.348 ( 0.000 -0.322 1.941) 1.968 8.373 ( 0.000 -0.327 0.050) 0.331 8.673 ( 0.000 -3.066 3.322) 4.521 8.754 ( 0.000 -2.729 0.640) 2.803 8.828 ( 0.000 2.979 1.649) 3.405 8.868 ( 0.000 1.835 0.005) 1.835 9.178 ( 0.000 -2.379 1.181) 2.656 9.192 ( 0.000 -2.469 -1.503) 2.891 9.276 ( 0.000 -0.164 -4.990) 4.993 9.397 ( 0.000 0.133 -6.194) 6.196 9.743 ( 0.000 1.740 -0.798) 1.914 9.753 ( 0.000 -0.005 -1.476) 1.476 9.865 ( 0.000 1.688 -0.141) 1.694 9.907 ( 0.000 1.182 -1.800) 2.154 11.769 ( 0.000 -0.857 1.507) 1.734 11.800 ( 0.000 -1.402 0.043) 1.403 11.812 ( 0.000 -0.644 0.788) 1.018 11.831 ( 0.000 -0.670 -0.133) 0.683 15.026 ( 0.000 -1.511 4.048) 4.321 15.091 ( 0.000 -1.233 2.186) 2.510 15.134 ( 0.000 0.645 2.047) 2.146 15.154 ( 0.000 2.017 1.794) 2.700 15.397 ( 0.000 -4.940 5.411) 7.327 15.528 ( 0.000 -5.513 -0.784) 5.569 15.710 ( 0.000 -0.384 1.376) 1.428 15.721 ( 0.000 3.505 -0.113) 3.507 15.943 ( 0.000 1.440 4.974) 5.179 15.981 ( 0.000 -2.172 7.598) 7.902 16.273 ( 0.000 0.897 -8.307) 8.356 16.296 ( 0.000 0.725 -5.785) 5.830 ======================= Grid point 111 (41/60) ======================= q-point: ( 0.25 0.14 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 5.98e-04 5.98e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.281 ( 2.294 6.030 9.306) 11.324 1.328 ( 2.524 7.334 6.185) 9.920 1.405 ( 0.005 6.821 0.308) 6.828 1.445 ( -0.042 6.355 0.707) 6.395 1.467 ( 1.338 4.472 4.163) 6.255 1.594 ( -2.396 -0.088 4.574) 5.164 1.672 ( 2.042 0.910 -2.437) 3.307 1.739 ( -0.796 0.108 -1.583) 1.775 1.799 ( 1.116 -0.249 4.229) 4.381 1.852 ( -0.921 -1.368 1.305) 2.103 1.878 ( 0.719 -1.275 -0.783) 1.660 1.915 ( -0.341 -0.578 -1.392) 1.545 2.063 ( 3.192 1.704 4.554) 5.817 2.217 ( 3.322 1.733 3.031) 4.819 2.268 ( 0.831 3.696 1.736) 4.167 2.304 ( 0.254 1.609 1.614) 2.294 2.519 ( 4.083 1.564 3.546) 5.629 2.600 ( 3.469 0.796 0.168) 3.563 2.685 ( 0.241 1.310 3.535) 3.777 2.740 ( -0.722 2.403 3.160) 4.035 2.763 ( 2.162 1.375 6.663) 7.139 2.912 ( 1.825 -0.969 0.513) 2.129 3.100 ( -9.706 0.820 1.513) 9.858 3.184 ( -7.588 -0.415 -1.863) 7.825 3.701 ( 1.926 1.159 -0.006) 2.248 3.723 ( 1.853 1.498 -1.278) 2.704 3.813 ( -1.954 1.628 -2.358) 3.468 3.840 ( -1.903 0.453 -2.819) 3.431 4.693 ( 0.110 -0.794 6.844) 6.891 4.712 ( 0.295 0.340 5.097) 5.117 4.831 ( -0.998 -0.605 1.272) 1.726 4.868 ( 0.300 0.702 0.927) 1.201 5.196 ( -0.411 0.186 -0.493) 0.668 5.223 ( 0.503 -0.264 -2.040) 2.118 5.247 ( 0.238 1.377 -0.234) 1.417 5.331 ( -1.380 2.153 -2.099) 3.308 5.550 ( -0.661 -4.007 3.681) 5.482 5.598 ( 1.369 -2.029 3.509) 4.278 5.687 ( -1.146 -1.642 -0.613) 2.094 5.746 ( 0.328 0.864 -1.272) 1.573 6.650 ( 0.577 -1.401 1.959) 2.477 6.715 ( -0.939 -0.470 1.723) 2.018 6.766 ( 0.445 -1.288 0.497) 1.450 6.803 ( -1.357 -0.579 -0.808) 1.682 6.893 ( -0.274 -0.019 -1.074) 1.108 6.930 ( -0.436 0.641 -0.004) 0.775 6.954 ( 1.202 1.344 -1.735) 2.502 6.969 ( 0.515 0.969 -1.843) 2.146 7.344 ( 0.314 0.307 3.387) 3.415 7.398 ( -1.066 -0.540 4.162) 4.330 7.431 ( 2.594 -0.398 -0.952) 2.792 7.525 ( -0.444 -0.842 -0.985) 1.370 8.145 ( 2.644 -0.072 1.224) 2.914 8.204 ( 3.154 -0.566 -0.910) 3.331 8.305 ( -3.578 -0.161 1.849) 4.031 8.349 ( -2.498 -0.468 -0.369) 2.568 8.694 ( 1.662 -3.015 3.177) 4.685 8.764 ( 0.880 -2.174 1.226) 2.647 8.817 ( -0.976 1.401 1.431) 2.228 8.875 ( 0.568 2.516 0.010) 2.580 9.176 ( -0.114 -2.440 0.400) 2.475 9.191 ( -0.151 -2.086 -0.661) 2.194 9.289 ( 1.281 -0.299 -5.238) 5.401 9.377 ( -1.799 -0.002 -6.052) 6.314 9.744 ( 0.771 1.379 -0.149) 1.587 9.775 ( 1.517 0.348 -1.449) 2.127 9.841 ( -2.131 1.830 -0.253) 2.820 9.887 ( -1.718 1.511 -1.979) 3.025 11.770 ( 0.096 -0.951 1.450) 1.737 11.795 ( -0.435 -0.606 1.159) 1.378 11.814 ( 0.252 -1.434 -0.232) 1.475 11.837 ( 0.362 -0.555 -0.212) 0.696 15.035 ( 0.712 -1.915 3.969) 4.464 15.094 ( 0.103 -1.388 1.876) 2.336 15.125 ( -0.166 1.136 3.646) 3.822 15.176 ( 1.217 2.032 1.108) 2.615 15.413 ( 1.324 -5.257 5.546) 7.755 15.552 ( 2.189 -5.132 -0.454) 5.598 15.665 ( -2.965 1.686 2.023) 3.965 15.729 ( -0.290 0.211 -0.840) 0.913 15.941 ( -0.462 0.252 5.720) 5.744 15.979 ( 0.223 0.273 6.839) 6.848 16.257 ( -1.210 0.406 -7.873) 7.975 16.288 ( -0.704 1.171 -6.750) 6.887 ======================= Grid point 112 (42/60) ======================= q-point: (-0.50 0.14 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 5.98e-04 5.98e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.311 ( 0.000 6.721 6.808) 9.567 1.346 ( 0.000 7.546 4.439) 8.755 1.408 ( 0.000 6.135 0.457) 6.152 1.442 ( 0.000 7.496 -0.367) 7.505 1.522 ( 0.000 0.956 6.614) 6.683 1.534 ( -0.000 0.916 6.260) 6.326 1.709 ( 0.000 0.153 -1.603) 1.610 1.716 ( -0.000 0.109 -1.825) 1.828 1.825 ( 0.000 -0.737 2.173) 2.295 1.829 ( 0.000 -0.780 2.546) 2.662 1.887 ( 0.000 -1.272 -1.154) 1.717 1.910 ( 0.000 -0.520 -1.228) 1.334 2.165 ( 0.000 0.845 7.149) 7.199 2.169 ( -0.000 1.069 4.329) 4.459 2.285 ( 0.000 1.852 2.551) 3.152 2.303 ( 0.000 2.705 0.715) 2.798 2.630 ( 0.000 -0.302 4.539) 4.549 2.669 ( 0.000 -0.670 0.805) 1.048 2.681 ( -0.000 2.785 4.538) 5.324 2.728 ( 0.000 3.048 -0.223) 3.056 2.845 ( 0.000 1.613 4.783) 5.048 2.890 ( -0.000 2.990 2.520) 3.910 3.001 ( 0.000 -0.694 -1.186) 1.374 3.013 ( -0.000 -0.295 -0.584) 0.654 3.734 ( 0.000 0.345 -0.674) 0.757 3.758 ( 0.000 1.159 -0.929) 1.485 3.783 ( 0.000 1.144 -2.548) 2.793 3.801 ( 0.000 2.414 -2.690) 3.614 4.695 ( 0.000 -0.314 6.279) 6.287 4.716 ( 0.000 0.756 6.367) 6.412 4.819 ( 0.000 -1.269 1.026) 1.632 4.869 ( 0.000 0.823 0.573) 1.002 5.191 ( 0.000 -0.158 -0.601) 0.621 5.239 ( 0.000 -1.557 -2.867) 3.262 5.244 ( 0.000 1.929 0.108) 1.932 5.311 ( 0.000 3.292 -1.795) 3.749 5.543 ( 0.000 -4.269 3.643) 5.612 5.615 ( 0.000 -0.081 4.172) 4.173 5.672 ( 0.000 -3.226 -1.277) 3.470 5.749 ( 0.000 0.449 -1.236) 1.315 6.657 ( 0.000 -1.380 1.797) 2.265 6.707 ( 0.000 1.172 2.565) 2.820 6.770 ( 0.000 -1.312 -2.777) 3.071 6.783 ( 0.000 -0.824 0.979) 1.280 6.893 ( 0.000 -0.752 -1.080) 1.316 6.923 ( 0.000 1.092 0.725) 1.311 6.969 ( -0.000 0.468 -1.042) 1.142 6.973 ( 0.000 1.373 -2.810) 3.127 7.359 ( 0.000 -0.356 4.134) 4.149 7.374 ( -0.000 0.213 4.745) 4.750 7.472 ( 0.000 -1.695 -1.579) 2.317 7.512 ( 0.000 -0.052 -1.607) 1.608 8.206 ( 0.000 -0.728 1.863) 2.001 8.234 ( 0.000 0.488 1.481) 1.560 8.278 ( 0.000 -0.728 -0.459) 0.861 8.283 ( -0.000 -0.410 -1.287) 1.351 8.716 ( 0.000 -3.123 2.830) 4.214 8.782 ( 0.000 -0.085 3.543) 3.544 8.797 ( 0.000 -1.212 -0.329) 1.256 8.882 ( 0.000 2.843 -0.006) 2.843 9.175 ( 0.000 -2.553 -0.474) 2.597 9.188 ( 0.000 -1.655 0.259) 1.676 9.315 ( 0.000 -0.663 -5.607) 5.646 9.344 ( -0.000 0.166 -5.736) 5.738 9.771 ( 0.000 0.531 -0.172) 0.558 9.785 ( 0.000 1.816 0.910) 2.031 9.813 ( 0.000 0.597 -1.835) 1.929 9.859 ( 0.000 2.516 -2.431) 3.499 11.772 ( 0.000 -1.098 1.342) 1.734 11.789 ( 0.000 -0.270 1.698) 1.720 11.818 ( 0.000 -1.626 -0.583) 1.728 11.841 ( 0.000 -0.525 -0.330) 0.620 15.045 ( 0.000 -2.385 3.849) 4.528 15.095 ( 0.000 -1.464 1.870) 2.375 15.126 ( 0.000 1.449 4.403) 4.635 15.189 ( 0.000 2.123 1.036) 2.362 15.432 ( 0.000 -5.778 5.629) 8.067 15.604 ( 0.000 1.601 4.427) 4.708 15.607 ( -0.000 -5.309 -2.377) 5.817 15.721 ( 0.000 -0.039 -0.942) 0.942 15.933 ( 0.000 -0.380 6.452) 6.463 15.985 ( 0.000 2.145 6.051) 6.420 16.241 ( 0.000 -0.008 -7.840) 7.840 16.278 ( 0.000 1.517 -7.395) 7.549 ======================= Grid point 115 (43/60) ======================= q-point: ( 0.00 0.29 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 5.98e-04 5.98e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.344 ( 0.000 6.007 8.926) 10.759 1.464 ( 0.000 6.102 4.101) 7.352 1.512 ( 0.000 2.351 0.867) 2.505 1.518 ( 0.000 1.016 0.756) 1.267 1.576 ( 0.000 5.203 2.084) 5.605 1.616 ( 0.000 1.667 2.279) 2.823 1.721 ( 0.000 4.353 -0.373) 4.369 1.770 ( 0.000 1.417 -1.095) 1.791 1.796 ( 0.000 1.733 3.292) 3.721 1.822 ( 0.000 -2.109 0.593) 2.191 1.851 ( 0.000 -0.341 -0.560) 0.656 1.897 ( 0.000 -1.208 -1.318) 1.788 2.104 ( 0.000 3.328 1.356) 3.594 2.161 ( 0.000 0.475 1.426) 1.503 2.362 ( 0.000 5.225 2.214) 5.675 2.364 ( 0.000 3.982 2.932) 4.945 2.538 ( 0.000 0.320 1.831) 1.859 2.545 ( 0.000 -0.206 2.677) 2.685 2.752 ( 0.000 3.754 1.134) 3.921 2.757 ( 0.000 3.054 7.616) 8.206 2.806 ( 0.000 3.101 3.483) 4.664 2.887 ( 0.000 -0.139 1.753) 1.759 3.209 ( 0.000 0.468 1.281) 1.364 3.258 ( 0.000 -0.269 -1.470) 1.495 3.713 ( 0.000 2.203 0.977) 2.410 3.755 ( 0.000 3.048 -0.710) 3.129 3.855 ( 0.000 -0.332 -2.611) 2.632 3.865 ( 0.000 1.461 -3.245) 3.559 4.684 ( 0.000 0.547 5.925) 5.950 4.725 ( 0.000 2.010 4.484) 4.914 4.826 ( 0.000 -1.949 2.482) 3.156 4.872 ( 0.000 0.353 2.053) 2.083 5.211 ( 0.000 -0.678 -1.726) 1.854 5.213 ( 0.000 -0.267 -0.936) 0.974 5.267 ( 0.000 1.125 0.609) 1.280 5.374 ( 0.000 0.311 -2.438) 2.458 5.472 ( 0.000 -4.320 3.115) 5.326 5.521 ( 0.000 -2.203 3.629) 4.245 5.687 ( 0.000 -0.356 -0.058) 0.360 5.754 ( 0.000 -0.174 -1.708) 1.717 6.620 ( 0.000 -0.556 1.533) 1.631 6.673 ( 0.000 -2.864 -0.186) 2.870 6.747 ( 0.000 -0.715 2.942) 3.028 6.801 ( 0.000 -1.349 0.212) 1.365 6.915 ( 0.000 0.914 -1.203) 1.511 6.941 ( 0.000 0.290 -0.164) 0.333 6.973 ( 0.000 1.579 -2.195) 2.704 6.980 ( 0.000 0.917 -0.204) 0.940 7.355 ( 0.000 0.178 3.759) 3.764 7.376 ( 0.000 -0.717 1.654) 1.802 7.422 ( 0.000 0.682 1.486) 1.635 7.502 ( 0.000 -1.554 -0.615) 1.671 8.122 ( 0.000 0.368 0.846) 0.923 8.157 ( 0.000 -0.745 -0.098) 0.751 8.341 ( 0.000 -0.266 1.614) 1.636 8.364 ( 0.000 -0.587 0.139) 0.603 8.639 ( 0.000 -0.456 2.674) 2.713 8.706 ( 0.000 -2.147 0.693) 2.256 8.873 ( 0.000 1.867 0.648) 1.976 8.898 ( 0.000 1.248 -0.834) 1.501 9.129 ( 0.000 -2.423 2.027) 3.159 9.141 ( 0.000 -2.624 -0.709) 2.718 9.271 ( 0.000 -0.120 -5.186) 5.187 9.374 ( 0.000 -2.468 -6.532) 6.983 9.770 ( 0.000 1.654 -0.102) 1.657 9.781 ( 0.000 1.878 -0.521) 1.949 9.903 ( 0.000 2.041 -1.008) 2.277 9.930 ( 0.000 1.106 -2.015) 2.299 11.751 ( 0.000 -0.873 0.809) 1.190 11.770 ( 0.000 -1.522 -0.221) 1.539 11.797 ( 0.000 -0.807 0.854) 1.175 11.812 ( 0.000 -1.182 0.188) 1.197 15.007 ( 0.000 -0.469 4.019) 4.046 15.064 ( 0.000 -1.665 1.950) 2.564 15.142 ( 0.000 0.194 2.892) 2.899 15.184 ( 0.000 1.174 1.059) 1.581 15.290 ( 0.000 -5.531 5.295) 7.657 15.405 ( 0.000 -6.652 -0.486) 6.669 15.683 ( 0.000 -1.930 3.645) 4.124 15.749 ( 0.000 -1.644 0.017) 1.644 15.970 ( 0.000 1.807 6.102) 6.364 15.987 ( 0.000 2.733 3.117) 4.146 16.299 ( 0.000 1.743 -7.159) 7.368 16.316 ( 0.000 1.261 -5.995) 6.127 ======================= Grid point 116 (44/60) ======================= q-point: ( 0.25 0.29 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 5.98e-04 5.98e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.383 ( 3.110 5.010 8.300) 10.181 1.470 ( 0.122 4.960 3.352) 5.987 1.502 ( -0.503 2.019 1.187) 2.395 1.526 ( 0.282 1.330 1.459) 1.995 1.574 ( 0.256 5.709 2.674) 6.309 1.618 ( -0.087 2.927 2.878) 4.106 1.723 ( 0.268 4.225 -1.006) 4.352 1.761 ( -1.187 1.613 -1.298) 2.387 1.793 ( 0.541 -0.204 3.188) 3.240 1.824 ( -0.152 -0.884 0.752) 1.171 1.863 ( 0.932 -0.100 -0.687) 1.162 1.898 ( -0.051 -0.941 -1.097) 1.446 2.107 ( 2.079 2.615 3.821) 5.075 2.231 ( 3.893 -0.125 0.821) 3.981 2.323 ( -3.464 2.145 3.121) 5.132 2.361 ( -0.867 2.696 1.027) 3.013 2.554 ( 4.051 1.813 4.023) 5.990 2.612 ( 3.830 0.163 1.816) 4.242 2.742 ( 0.964 4.399 3.233) 5.544 2.785 ( -0.225 2.388 6.255) 6.700 2.820 ( 2.704 3.928 0.977) 4.868 2.899 ( 1.782 -0.159 1.546) 2.365 3.120 ( -7.916 1.259 1.230) 8.109 3.180 ( -7.478 0.009 -1.363) 7.601 3.730 ( 1.407 1.720 0.546) 2.288 3.766 ( 1.046 2.680 -0.691) 2.958 3.839 ( -1.427 0.708 -2.563) 3.018 3.860 ( -0.473 1.728 -3.093) 3.574 4.690 ( 0.616 0.671 6.127) 6.194 4.733 ( 0.564 1.861 5.065) 5.425 4.811 ( -1.180 -1.498 2.603) 3.226 4.876 ( 0.145 0.034 1.452) 1.460 5.201 ( -0.602 -0.905 -1.509) 1.860 5.207 ( -0.365 -0.275 -1.449) 1.520 5.271 ( 0.200 0.748 0.785) 1.103 5.374 ( -0.044 0.994 -1.846) 2.097 5.463 ( -0.405 -3.226 3.383) 4.692 5.551 ( 2.521 -2.413 2.383) 4.226 5.662 ( -2.228 -0.807 0.181) 2.376 5.749 ( -0.426 -0.565 -1.764) 1.900 6.624 ( 0.349 -1.234 1.742) 2.163 6.695 ( 1.939 -1.023 -0.031) 2.192 6.744 ( -0.212 -0.953 2.652) 2.826 6.790 ( -1.078 -1.048 -0.218) 1.519 6.903 ( -0.883 1.149 -0.733) 1.624 6.940 ( -0.168 0.338 0.298) 0.481 6.970 ( 0.326 0.392 -1.145) 1.253 6.993 ( 0.535 1.258 -2.142) 2.541 7.350 ( 0.034 0.322 3.909) 3.922 7.385 ( -0.120 -0.750 3.608) 3.687 7.425 ( 0.768 -0.093 -0.006) 0.774 7.502 ( -0.078 -1.447 -0.921) 1.717 8.146 ( 2.385 0.184 1.255) 2.702 8.190 ( 3.044 -0.802 -0.236) 3.157 8.302 ( -3.307 -0.111 1.538) 3.649 8.337 ( -2.664 -0.726 -0.156) 2.766 8.657 ( 1.266 -0.876 2.419) 2.867 8.727 ( 2.014 -1.509 0.828) 2.650 8.838 ( -2.537 0.897 0.895) 2.836 8.918 ( 0.979 1.807 -0.961) 2.269 9.123 ( -0.281 -2.664 0.902) 2.827 9.147 ( 0.393 -2.205 0.676) 2.339 9.282 ( 0.958 -0.387 -5.413) 5.510 9.358 ( -1.355 -1.871 -6.190) 6.607 9.775 ( 0.560 1.632 0.001) 1.726 9.795 ( 1.205 1.460 -0.586) 1.981 9.879 ( -2.149 1.872 -0.957) 3.007 9.920 ( -0.852 1.711 -2.288) 2.981 11.750 ( -0.032 -0.950 0.815) 1.252 11.775 ( 0.357 -1.387 -0.019) 1.432 11.789 ( -0.461 -0.985 0.798) 1.349 11.820 ( 0.450 -1.042 -0.010) 1.135 15.005 ( -0.116 -1.253 4.104) 4.292 15.070 ( 0.424 -1.069 1.656) 2.016 15.141 ( 0.085 0.449 3.702) 3.730 15.194 ( 0.528 -0.200 0.806) 0.984 15.308 ( 1.618 -4.891 5.579) 7.593 15.442 ( 3.387 -5.672 -0.618) 6.635 15.654 ( -2.919 -2.015 3.345) 4.876 15.716 ( -2.435 -2.306 0.295) 3.367 15.958 ( -0.498 2.087 5.393) 5.804 16.015 ( 1.762 2.775 4.359) 5.459 16.277 ( -1.616 1.474 -7.198) 7.523 16.316 ( -0.227 1.669 -6.732) 6.940 ======================= Grid point 117 (45/60) ======================= q-point: (-0.50 0.29 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 5.98e-04 5.98e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.431 ( 0.000 4.576 6.356) 7.832 1.456 ( -0.000 3.159 4.038) 5.127 1.500 ( 0.000 1.501 1.149) 1.890 1.527 ( 0.000 1.559 1.807) 2.386 1.593 ( 0.000 5.988 4.064) 7.236 1.604 ( -0.000 5.545 2.620) 6.132 1.732 ( 0.000 1.361 -1.411) 1.961 1.740 ( 0.000 2.869 -0.285) 2.883 1.811 ( -0.000 -0.769 0.908) 1.190 1.813 ( 0.000 -0.082 1.968) 1.970 1.877 ( 0.000 0.528 -0.553) 0.764 1.894 ( 0.000 -0.932 -1.034) 1.392 2.184 ( 0.000 0.957 7.355) 7.417 2.201 ( -0.000 2.207 2.822) 3.583 2.313 ( 0.000 0.819 2.167) 2.316 2.338 ( 0.000 0.464 -1.692) 1.755 2.630 ( 0.000 0.224 4.659) 4.665 2.656 ( 0.000 -0.593 4.338) 4.378 2.740 ( 0.000 2.886 4.060) 4.982 2.800 ( 0.000 4.163 0.049) 4.164 2.901 ( 0.000 3.655 2.251) 4.293 2.951 ( -0.000 3.009 1.014) 3.176 3.001 ( 0.000 0.986 -0.462) 1.089 3.011 ( -0.000 0.340 0.377) 0.507 3.749 ( 0.000 1.039 -0.081) 1.042 3.787 ( 0.000 1.826 -0.019) 1.826 3.813 ( 0.000 1.770 -2.808) 3.319 3.853 ( 0.000 2.620 -3.093) 4.053 4.700 ( 0.000 0.937 6.246) 6.316 4.739 ( 0.000 1.555 6.111) 6.306 4.795 ( 0.000 -1.343 2.215) 2.590 4.876 ( 0.000 0.067 1.003) 1.005 5.194 ( 0.000 -0.544 -1.456) 1.555 5.204 ( 0.000 -1.073 -2.092) 2.351 5.272 ( 0.000 0.512 1.199) 1.304 5.373 ( 0.000 1.642 -1.174) 2.018 5.460 ( 0.000 -2.393 3.203) 3.998 5.608 ( 0.000 -0.380 4.110) 4.128 5.609 ( -0.000 -3.140 -2.178) 3.821 5.743 ( 0.000 -0.996 -1.809) 2.066 6.629 ( 0.000 -1.447 2.025) 2.488 6.724 ( 0.000 0.527 2.513) 2.568 6.752 ( -0.000 -0.595 -3.201) 3.256 6.762 ( 0.000 -1.346 2.546) 2.880 6.892 ( 0.000 0.870 -0.562) 1.035 6.937 ( 0.000 0.224 0.841) 0.870 6.977 ( 0.000 0.388 -0.885) 0.966 6.998 ( 0.000 0.931 -3.138) 3.273 7.355 ( 0.000 -0.003 4.112) 4.112 7.376 ( -0.000 0.089 4.717) 4.718 7.440 ( 0.000 -1.494 -0.813) 1.701 7.499 ( 0.000 -1.125 -1.140) 1.601 8.196 ( 0.000 -0.330 2.114) 2.139 8.240 ( 0.000 0.133 1.147) 1.154 8.261 ( 0.000 -0.875 0.090) 0.880 8.272 ( -0.000 -0.588 -1.025) 1.182 8.672 ( 0.000 -1.362 2.143) 2.539 8.776 ( 0.000 -0.917 -1.713) 1.943 8.785 ( -0.000 0.486 3.908) 3.938 8.928 ( 0.000 1.910 -1.178) 2.244 9.121 ( 0.000 -2.775 0.484) 2.817 9.151 ( 0.000 -1.902 1.364) 2.341 9.299 ( 0.000 -1.138 -5.780) 5.891 9.336 ( 0.000 -0.812 -5.730) 5.787 9.784 ( 0.000 0.835 -0.068) 0.838 9.827 ( 0.000 2.199 0.959) 2.400 9.834 ( -0.000 1.268 -2.261) 2.592 9.908 ( 0.000 2.363 -2.640) 3.543 11.750 ( 0.000 -1.014 0.829) 1.310 11.780 ( 0.000 -0.558 1.469) 1.572 11.783 ( 0.000 -1.792 -0.595) 1.889 11.825 ( 0.000 -0.976 -0.163) 0.990 15.004 ( 0.000 -1.815 4.187) 4.563 15.075 ( 0.000 -0.644 1.509) 1.641 15.143 ( 0.000 0.283 4.119) 4.129 15.199 ( 0.000 -1.149 0.839) 1.422 15.331 ( 0.000 -4.174 5.938) 7.258 15.504 ( 0.000 -4.797 -1.943) 5.176 15.595 ( 0.000 -1.889 4.366) 4.757 15.687 ( 0.000 -3.207 0.266) 3.218 15.953 ( 0.000 2.260 5.433) 5.884 16.037 ( 0.000 2.942 5.205) 5.979 16.256 ( 0.000 1.347 -7.907) 8.020 16.312 ( 0.000 1.918 -7.093) 7.348 ======================= Grid point 120 (46/60) ======================= q-point: ( 0.00 0.43 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 5.98e-04 5.98e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.453 ( 0.000 4.418 4.169) 6.075 1.499 ( 0.000 -0.977 1.810) 2.056 1.524 ( 0.000 0.092 1.510) 1.513 1.529 ( 0.000 0.240 1.555) 1.573 1.644 ( 0.000 2.247 3.779) 4.397 1.663 ( 0.000 1.329 4.449) 4.643 1.750 ( 0.000 -0.584 1.364) 1.484 1.763 ( 0.000 -1.202 0.307) 1.240 1.821 ( 0.000 1.739 -1.967) 2.625 1.841 ( 0.000 0.149 -0.153) 0.213 1.860 ( 0.000 1.771 -0.683) 1.898 1.881 ( 0.000 -0.558 -0.619) 0.834 2.156 ( 0.000 1.837 1.245) 2.219 2.171 ( 0.000 0.152 1.501) 1.509 2.415 ( 0.000 1.389 3.128) 3.422 2.420 ( 0.000 0.998 2.752) 2.927 2.543 ( 0.000 0.199 2.062) 2.072 2.545 ( 0.000 0.015 2.551) 2.551 2.814 ( 0.000 2.007 2.243) 3.010 2.816 ( 0.000 1.910 4.886) 5.246 2.860 ( 0.000 2.416 2.130) 3.220 2.887 ( 0.000 -0.277 2.234) 2.251 3.228 ( 0.000 1.254 0.944) 1.570 3.249 ( 0.000 -0.773 -0.280) 0.822 3.760 ( 0.000 2.452 0.803) 2.580 3.792 ( 0.000 -0.174 0.177) 0.248 3.859 ( 0.000 1.175 -3.026) 3.246 3.879 ( 0.000 -0.241 -3.322) 3.331 4.714 ( 0.000 2.358 4.880) 5.420 4.759 ( 0.000 -1.067 4.215) 4.348 4.806 ( 0.000 2.172 4.015) 4.565 4.860 ( 0.000 -1.879 3.558) 4.024 5.189 ( 0.000 -1.350 -1.288) 1.865 5.190 ( 0.000 -1.228 -1.467) 1.913 5.292 ( 0.000 1.624 0.976) 1.895 5.334 ( 0.000 -2.938 0.717) 3.024 5.454 ( 0.000 1.311 0.298) 1.345 5.485 ( 0.000 -1.690 0.986) 1.957 5.699 ( 0.000 1.553 0.185) 1.564 5.734 ( 0.000 -1.702 -0.883) 1.918 6.619 ( 0.000 0.349 1.055) 1.111 6.633 ( 0.000 -1.264 0.566) 1.385 6.742 ( 0.000 0.503 2.239) 2.295 6.767 ( 0.000 -1.879 0.894) 2.081 6.932 ( 0.000 0.737 -1.125) 1.345 6.941 ( 0.000 -0.213 -0.877) 0.903 6.994 ( 0.000 0.487 -0.008) 0.487 6.994 ( 0.000 0.536 -0.585) 0.794 7.356 ( 0.000 0.054 4.236) 4.237 7.362 ( 0.000 -0.582 3.338) 3.388 7.443 ( 0.000 1.380 -0.147) 1.388 7.472 ( 0.000 -1.540 -0.697) 1.691 8.131 ( 0.000 0.562 0.745) 0.933 8.143 ( 0.000 -0.661 0.458) 0.804 8.341 ( 0.000 0.294 1.039) 1.080 8.351 ( 0.000 -0.687 0.444) 0.818 8.647 ( 0.000 1.031 1.637) 1.934 8.672 ( 0.000 -1.466 0.918) 1.729 8.902 ( 0.000 1.119 -0.231) 1.142 8.912 ( 0.000 0.141 -0.894) 0.905 9.095 ( 0.000 -0.831 1.799) 1.981 9.100 ( 0.000 -1.329 0.591) 1.455 9.280 ( 0.000 1.185 -5.517) 5.642 9.319 ( 0.000 -2.746 -6.024) 6.620 9.801 ( 0.000 1.128 -0.035) 1.129 9.806 ( 0.000 0.599 -0.255) 0.651 9.935 ( 0.000 1.118 -1.652) 1.995 9.944 ( 0.000 0.192 -1.967) 1.977 11.740 ( 0.000 -0.132 0.221) 0.258 11.747 ( 0.000 -0.821 -0.139) 0.833 11.786 ( 0.000 -0.194 0.716) 0.741 11.792 ( 0.000 -0.781 0.463) 0.908 15.009 ( 0.000 0.649 3.269) 3.333 15.031 ( 0.000 -1.580 2.368) 2.846 15.149 ( 0.000 0.813 3.268) 3.368 15.181 ( 0.000 -2.281 2.258) 3.210 15.233 ( 0.000 1.129 2.875) 3.089 15.293 ( 0.000 -4.688 0.453) 4.710 15.660 ( 0.000 0.049 3.851) 3.851 15.692 ( 0.000 -3.003 2.544) 3.936 16.018 ( 0.000 2.031 3.451) 4.004 16.028 ( 0.000 1.035 2.705) 2.896 16.329 ( 0.000 1.101 -6.351) 6.446 16.335 ( 0.000 0.489 -6.064) 6.083 ======================= Grid point 121 (47/60) ======================= q-point: ( 0.25 0.43 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 5.98e-04 5.98e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.469 ( 1.117 3.317 4.339) 5.575 1.497 ( -0.089 -0.274 2.293) 2.311 1.516 ( -0.820 -0.133 2.013) 2.177 1.534 ( 0.306 -0.116 1.594) 1.627 1.657 ( 1.181 2.509 3.240) 4.265 1.672 ( 0.907 1.677 3.437) 3.930 1.749 ( -0.698 -0.992 0.684) 1.393 1.768 ( 0.395 -0.617 1.963) 2.095 1.818 ( 0.418 2.310 -1.258) 2.663 1.847 ( -0.634 1.823 -0.428) 1.977 1.864 ( 1.287 -0.257 -1.102) 1.713 1.886 ( 0.357 -0.302 -0.453) 0.651 2.151 ( 1.414 1.553 3.715) 4.268 2.223 ( 3.037 -0.453 0.387) 3.095 2.356 ( -3.777 1.235 2.708) 4.809 2.382 ( -3.399 -0.069 1.219) 3.612 2.578 ( 3.558 0.619 3.897) 5.313 2.611 ( 3.578 -0.091 3.483) 4.994 2.807 ( -1.248 1.528 2.931) 3.533 2.835 ( 2.242 2.167 2.962) 4.300 2.881 ( 1.737 1.793 1.037) 2.703 2.906 ( 3.123 0.626 2.143) 3.839 3.144 ( -7.136 0.916 0.896) 7.250 3.182 ( -6.555 0.117 -0.475) 6.573 3.761 ( 0.299 1.232 0.464) 1.350 3.805 ( 0.950 0.812 0.207) 1.267 3.852 ( -0.577 0.808 -2.964) 3.126 3.885 ( 0.405 0.566 -3.094) 3.171 4.718 ( 0.519 2.083 5.133) 5.563 4.761 ( 0.097 -1.005 4.698) 4.806 4.788 ( -1.440 0.636 4.682) 4.940 4.873 ( 0.909 -0.253 2.067) 2.273 5.169 ( -0.793 -1.339 -1.342) 2.055 5.206 ( 0.461 -0.580 -1.765) 1.915 5.267 ( -1.580 -0.700 2.487) 3.028 5.349 ( 0.837 -1.181 0.162) 1.456 5.472 ( 1.519 2.100 0.005) 2.592 5.511 ( 2.318 -1.918 0.370) 3.031 5.660 ( -3.165 0.422 1.145) 3.392 5.731 ( -0.592 -0.975 -1.462) 1.854 6.606 ( -0.095 -0.550 2.018) 2.094 6.684 ( 3.251 -0.272 0.272) 3.274 6.736 ( -0.469 0.342 2.388) 2.457 6.764 ( -0.442 -1.454 0.269) 1.544 6.923 ( -0.475 0.489 -0.269) 0.733 6.951 ( -0.428 1.045 -0.121) 1.135 6.969 ( 0.008 -0.569 -1.021) 1.169 7.010 ( 0.136 0.439 -1.602) 1.666 7.355 ( 0.097 0.176 4.145) 4.150 7.371 ( 0.544 -0.530 3.834) 3.908 7.430 ( -0.934 0.390 -0.003) 1.012 7.477 ( 0.246 -0.965 -0.760) 1.253 8.151 ( 2.050 0.188 1.321) 2.446 8.177 ( 2.995 -0.424 0.234) 3.034 8.302 ( -3.170 0.118 1.100) 3.358 8.324 ( -2.680 -0.486 0.107) 2.726 8.652 ( 0.474 0.086 1.442) 1.521 8.708 ( 2.998 -0.484 0.531) 3.083 8.852 ( -3.083 0.476 0.581) 3.173 8.943 ( 1.175 0.717 -1.502) 2.037 9.084 ( -0.455 -1.163 1.197) 1.730 9.115 ( 0.766 -0.922 1.607) 2.005 9.279 ( -0.082 0.164 -5.627) 5.630 9.320 ( 0.111 -1.556 -5.824) 6.030 9.799 ( -0.069 0.717 -0.063) 0.723 9.819 ( 1.204 0.771 -0.455) 1.500 9.905 ( -2.284 0.713 -1.233) 2.692 9.945 ( -0.198 0.767 -2.406) 2.533 11.738 ( -0.111 -0.244 0.328) 0.424 11.752 ( 0.311 -0.802 -0.312) 0.915 11.776 ( -0.437 -0.356 1.040) 1.183 11.803 ( 0.570 -0.521 0.149) 0.787 14.988 ( -0.962 -0.474 4.054) 4.194 15.055 ( 1.207 -0.457 1.510) 1.987 15.144 ( -0.274 -0.005 2.950) 2.963 15.175 ( -0.901 -1.124 1.161) 1.850 15.247 ( 2.243 -1.372 5.193) 5.821 15.360 ( 5.064 -2.389 0.065) 5.600 15.624 ( -3.458 -0.627 3.595) 5.027 15.661 ( -2.438 -2.390 2.059) 3.987 16.000 ( -0.651 1.485 3.941) 4.261 16.060 ( 1.847 1.439 3.544) 4.247 16.302 ( -1.717 0.828 -6.802) 7.064 16.343 ( 0.069 0.846 -6.503) 6.558 ======================= Grid point 122 (48/60) ======================= q-point: (-0.50 0.43 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 5.98e-04 5.98e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.488 ( 0.000 0.660 2.983) 3.055 1.489 ( -0.000 1.742 4.335) 4.672 1.504 ( 0.000 -0.262 2.210) 2.226 1.537 ( 0.000 -0.179 1.555) 1.565 1.672 ( 0.000 1.833 2.373) 2.999 1.691 ( 0.000 3.038 2.737) 4.089 1.734 ( 0.000 -0.865 0.306) 0.917 1.766 ( 0.000 -0.478 3.939) 3.968 1.830 ( -0.000 2.480 -2.948) 3.853 1.840 ( 0.000 1.832 0.785) 1.993 1.876 ( 0.000 -1.086 -1.541) 1.885 1.893 ( 0.000 0.562 0.225) 0.606 2.196 ( 0.000 0.283 7.014) 7.019 2.248 ( 0.000 2.337 0.919) 2.511 2.317 ( 0.000 -0.112 2.055) 2.058 2.322 ( -0.000 -1.589 -1.434) 2.140 2.633 ( 0.000 0.035 4.650) 4.650 2.649 ( 0.000 -0.150 5.422) 5.424 2.781 ( 0.000 1.174 3.682) 3.865 2.862 ( 0.000 1.767 -0.488) 1.833 2.957 ( 0.000 1.611 0.835) 1.814 2.998 ( -0.000 1.895 1.306) 2.302 3.020 ( -0.000 0.052 0.563) 0.565 3.031 ( 0.000 1.402 0.039) 1.402 3.766 ( 0.000 0.542 0.138) 0.559 3.818 ( 0.000 1.092 0.433) 1.174 3.842 ( 0.000 0.972 -3.023) 3.176 3.890 ( 0.000 1.021 -2.974) 3.145 4.729 ( 0.000 1.881 5.550) 5.860 4.762 ( -0.000 0.589 5.783) 5.813 4.766 ( 0.000 -1.760 4.014) 4.383 4.884 ( 0.000 0.679 1.146) 1.332 5.160 ( 0.000 -1.345 -1.464) 1.988 5.211 ( 0.000 0.378 -2.324) 2.355 5.248 ( 0.000 -2.119 3.657) 4.226 5.358 ( 0.000 -0.715 0.220) 0.748 5.494 ( 0.000 3.278 -0.249) 3.288 5.554 ( 0.000 -2.679 -2.230) 3.486 5.606 ( -0.000 0.161 3.981) 3.984 5.721 ( 0.000 -0.934 -1.924) 2.139 6.608 ( 0.000 -0.602 2.758) 2.823 6.729 ( 0.000 0.179 2.578) 2.585 6.738 ( -0.000 -0.892 3.193) 3.315 6.744 ( 0.000 -0.217 -3.353) 3.360 6.917 ( 0.000 1.114 -0.103) 1.119 6.937 ( 0.000 -0.023 0.892) 0.892 6.981 ( 0.000 0.071 -1.452) 1.453 7.006 ( 0.000 0.064 -2.800) 2.800 7.358 ( 0.000 0.146 4.190) 4.193 7.377 ( 0.000 0.029 4.389) 4.389 7.418 ( 0.000 -0.651 -0.095) 0.658 7.479 ( 0.000 -0.707 -0.793) 1.063 8.192 ( 0.000 -0.101 2.432) 2.434 8.238 ( 0.000 -0.232 1.028) 1.054 8.251 ( 0.000 -0.155 0.243) 0.288 8.264 ( -0.000 -0.213 -0.877) 0.903 8.659 ( 0.000 -0.210 1.385) 1.401 8.764 ( 0.000 -0.314 -2.614) 2.633 8.797 ( 0.000 0.516 3.852) 3.887 8.955 ( 0.000 0.763 -1.947) 2.091 9.080 ( 0.000 -1.217 1.251) 1.745 9.124 ( 0.000 -0.788 2.003) 2.153 9.278 ( 0.000 -0.739 -5.742) 5.790 9.322 ( 0.000 -0.493 -5.639) 5.661 9.798 ( 0.000 0.466 -0.067) 0.471 9.852 ( 0.000 0.547 -2.523) 2.582 9.859 ( -0.000 0.927 0.890) 1.285 9.942 ( 0.000 0.962 -2.708) 2.874 11.737 ( 0.000 -0.275 0.394) 0.480 11.756 ( 0.000 -0.906 -0.469) 1.020 11.772 ( 0.000 -0.263 1.247) 1.274 11.810 ( 0.000 -0.474 -0.019) 0.474 14.978 ( 0.000 -0.736 4.452) 4.513 15.068 ( 0.000 -0.146 1.089) 1.099 15.141 ( 0.000 -0.191 2.805) 2.811 15.164 ( 0.000 -1.616 1.211) 2.019 15.281 ( 0.000 -1.154 6.232) 6.338 15.439 ( 0.000 -1.748 -1.082) 2.056 15.560 ( 0.000 -1.170 4.333) 4.488 15.629 ( 0.000 -2.027 1.293) 2.404 15.994 ( 0.000 1.368 4.526) 4.728 16.083 ( 0.000 1.441 4.615) 4.835 16.280 ( 0.000 0.811 -7.771) 7.813 16.342 ( 0.000 0.945 -6.799) 6.865 ======================= Grid point 140 (49/60) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 5.98e-04 5.98e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.289 ( 0.000 0.000 -2.813) 2.813 1.289 ( 0.000 0.000 2.813) 2.813 1.375 ( 0.000 0.000 -2.017) 2.017 1.375 ( 0.000 0.000 2.017) 2.017 1.508 ( 0.000 0.000 -7.688) 7.688 1.508 ( 0.000 0.000 7.688) 7.688 1.699 ( 0.000 0.000 -3.072) 3.072 1.699 ( 0.000 0.000 3.072) 3.072 1.877 ( 0.000 0.000 -1.056) 1.056 1.877 ( 0.000 0.000 1.056) 1.056 1.881 ( 0.000 0.000 -2.966) 2.966 1.881 ( 0.000 0.000 2.966) 2.966 2.131 ( 0.000 0.000 -6.502) 6.502 2.131 ( 0.000 0.000 6.502) 6.502 2.206 ( 0.000 0.000 -0.169) 0.169 2.206 ( 0.000 0.000 0.169) 0.169 2.567 ( 0.000 0.000 -0.726) 0.726 2.567 ( 0.000 0.000 0.726) 0.726 2.714 ( 0.000 0.000 -2.537) 2.537 2.714 ( 0.000 0.000 2.537) 2.537 2.877 ( 0.000 0.000 -3.051) 3.051 2.877 ( 0.000 0.000 3.051) 3.051 3.232 ( 0.000 0.000 -0.917) 0.917 3.232 ( 0.000 0.000 0.917) 0.917 3.671 ( 0.000 0.000 -0.289) 0.289 3.671 ( 0.000 0.000 0.289) 0.289 3.812 ( 0.000 0.000 -1.234) 1.234 3.812 ( 0.000 0.000 1.234) 1.234 4.792 ( 0.000 0.000 -3.466) 3.466 4.792 ( 0.000 0.000 3.466) 3.466 4.867 ( 0.000 0.000 -3.763) 3.763 4.867 ( 0.000 0.000 3.763) 3.763 5.176 ( 0.000 0.000 -0.484) 0.484 5.176 ( 0.000 0.000 0.484) 0.484 5.271 ( 0.000 0.000 -2.893) 2.893 5.271 ( 0.000 0.000 2.893) 2.893 5.672 ( 0.000 0.000 -3.300) 3.300 5.672 ( 0.000 0.000 3.300) 3.300 5.683 ( 0.000 0.000 -2.447) 2.447 5.683 ( 0.000 0.000 2.447) 2.447 6.741 ( 0.000 0.000 -4.801) 4.801 6.741 ( 0.000 0.000 4.801) 4.801 6.781 ( 0.000 0.000 -0.867) 0.867 6.781 ( 0.000 0.000 0.867) 0.867 6.884 ( 0.000 0.000 -0.788) 0.788 6.884 ( 0.000 0.000 0.788) 0.788 6.930 ( 0.000 0.000 -0.393) 0.393 6.930 ( 0.000 0.000 0.393) 0.393 7.373 ( 0.000 0.000 -1.002) 1.002 7.373 ( 0.000 0.000 1.002) 1.002 7.500 ( 0.000 0.000 -3.211) 3.211 7.500 ( 0.000 0.000 3.211) 3.211 8.144 ( 0.000 0.000 -1.547) 1.547 8.144 ( 0.000 0.000 1.547) 1.547 8.373 ( 0.000 0.000 -0.383) 0.383 8.373 ( 0.000 0.000 0.383) 0.383 8.779 ( 0.000 0.000 -1.616) 1.616 8.779 ( 0.000 0.000 1.616) 1.616 8.831 ( 0.000 0.000 -2.031) 2.031 8.831 ( 0.000 0.000 2.031) 2.031 9.210 ( 0.000 0.000 -1.143) 1.143 9.210 ( 0.000 0.000 1.143) 1.143 9.268 ( 0.000 0.000 -5.212) 5.212 9.268 ( 0.000 0.000 5.212) 5.212 9.720 ( 0.000 0.000 -0.694) 0.694 9.720 ( 0.000 0.000 0.694) 0.694 9.864 ( 0.000 0.000 -1.206) 1.206 9.864 ( 0.000 0.000 1.206) 1.206 11.815 ( 0.000 0.000 -1.532) 1.532 11.815 ( 0.000 0.000 1.532) 1.532 11.823 ( 0.000 0.000 -0.148) 0.148 11.823 ( 0.000 0.000 0.148) 0.148 15.109 ( 0.000 0.000 -1.883) 1.883 15.109 ( 0.000 0.000 1.883) 1.883 15.147 ( 0.000 0.000 -0.307) 0.307 15.147 ( 0.000 0.000 0.307) 0.307 15.546 ( 0.000 0.000 -3.445) 3.445 15.546 ( 0.000 0.000 3.445) 3.445 15.694 ( 0.000 0.000 -0.704) 0.704 15.694 ( 0.000 0.000 0.704) 0.704 16.085 ( 0.000 0.000 -8.243) 8.243 16.085 ( 0.000 0.000 8.243) 8.243 16.159 ( 0.000 0.000 -6.923) 6.923 16.159 ( 0.000 0.000 6.923) 6.923 ======================= Grid point 142 (50/60) ======================= q-point: ( 0.25 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 5.98e-04 5.98e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 40 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.300 ( 1.032 0.000 -2.560) 2.760 1.300 ( 1.032 0.000 2.560) 2.760 1.358 ( -1.379 0.000 -2.114) 2.524 1.358 ( -1.379 0.000 2.114) 2.524 1.568 ( 4.484 0.000 -6.543) 7.932 1.568 ( 4.484 0.000 6.543) 7.932 1.687 ( -1.272 0.000 -3.584) 3.803 1.687 ( -1.272 0.000 3.584) 3.803 1.877 ( 0.007 0.000 -0.823) 0.823 1.877 ( 0.007 0.000 0.823) 0.823 1.879 ( -0.148 0.000 -2.667) 2.671 1.879 ( -0.148 0.000 2.667) 2.671 2.171 ( 3.706 0.000 -5.737) 6.830 2.171 ( 3.706 0.000 5.737) 6.830 2.270 ( 3.936 0.000 -2.805) 4.834 2.270 ( 3.936 0.000 2.805) 4.834 2.561 ( 1.582 0.000 -2.515) 2.971 2.561 ( 1.582 0.000 2.515) 2.971 2.720 ( 0.095 0.000 -2.014) 2.017 2.720 ( 0.095 0.000 2.014) 2.017 2.889 ( 1.181 0.000 -3.738) 3.920 2.889 ( 1.181 0.000 3.738) 3.920 3.139 ( -8.649 0.000 -2.700) 9.061 3.139 ( -8.649 0.000 2.700) 9.061 3.689 ( 1.778 0.000 -0.510) 1.849 3.689 ( 1.778 0.000 0.510) 1.849 3.789 ( -2.133 0.000 -1.287) 2.491 3.789 ( -2.133 0.000 1.287) 2.491 4.799 ( 0.790 0.000 -3.576) 3.662 4.799 ( 0.790 0.000 3.576) 3.662 4.855 ( -1.159 0.000 -3.820) 3.992 4.855 ( -1.159 0.000 3.820) 3.992 5.184 ( 0.887 0.000 -0.650) 1.100 5.184 ( 0.887 0.000 0.650) 1.100 5.253 ( -1.603 0.000 -2.505) 2.974 5.253 ( -1.603 0.000 2.505) 2.974 5.675 ( 0.262 0.000 -3.419) 3.429 5.675 ( 0.262 0.000 3.419) 3.429 5.683 ( -0.047 0.000 -2.793) 2.794 5.683 ( -0.047 0.000 2.793) 2.794 6.738 ( -0.218 0.000 -4.256) 4.262 6.738 ( -0.218 0.000 4.256) 4.262 6.759 ( -1.506 0.000 -1.883) 2.411 6.759 ( -1.506 0.000 1.883) 2.411 6.902 ( 1.276 0.000 -1.590) 2.038 6.902 ( 1.276 0.000 1.590) 2.038 6.930 ( -0.103 0.000 -0.998) 1.003 6.930 ( -0.103 0.000 0.998) 1.003 7.398 ( 2.186 0.000 -2.249) 3.136 7.398 ( 2.186 0.000 2.249) 3.136 7.487 ( -1.330 0.000 -3.388) 3.640 7.487 ( -1.330 0.000 3.388) 3.640 8.178 ( 3.116 0.000 -1.690) 3.545 8.178 ( 3.116 0.000 1.690) 3.545 8.338 ( -3.272 0.000 -1.099) 3.451 8.338 ( -3.272 0.000 1.099) 3.451 8.796 ( 1.414 0.000 -1.453) 2.027 8.796 ( 1.414 0.000 1.453) 2.027 8.831 ( -0.115 0.000 -1.848) 1.852 8.831 ( -0.115 0.000 1.848) 1.852 9.215 ( 0.541 0.000 -1.917) 1.992 9.215 ( 0.541 0.000 1.917) 1.992 9.256 ( -1.105 0.000 -4.722) 4.849 9.256 ( -1.105 0.000 4.722) 4.849 9.737 ( 1.632 0.000 -1.134) 1.987 9.737 ( 1.632 0.000 1.134) 1.987 9.839 ( -2.305 0.000 -1.288) 2.641 9.839 ( -2.305 0.000 1.288) 2.641 11.817 ( 0.166 0.000 -1.537) 1.545 11.817 ( 0.166 0.000 1.537) 1.545 11.823 ( -0.057 0.000 -0.852) 0.854 11.823 ( -0.057 0.000 0.852) 0.854 15.123 ( 1.137 0.000 -1.684) 2.031 15.123 ( 1.137 0.000 1.684) 2.031 15.149 ( 0.039 0.000 -0.605) 0.606 15.149 ( 0.039 0.000 0.605) 0.606 15.573 ( 2.432 0.000 -3.686) 4.416 15.573 ( 2.432 0.000 3.686) 4.416 15.676 ( -1.718 0.000 -2.562) 3.085 15.676 ( -1.718 0.000 2.562) 3.085 16.084 ( 0.124 0.000 -7.894) 7.895 16.084 ( 0.124 0.000 7.894) 7.895 16.137 ( -1.885 0.000 -7.037) 7.285 16.137 ( -1.885 0.000 7.037) 7.285 ======================= Grid point 144 (51/60) ======================= q-point: (-0.50 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 5.98e-04 5.98e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 32 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.327 ( -1.511 0.000 -2.189) 2.660 1.327 ( 1.511 0.000 -2.189) 2.660 1.327 ( -1.511 0.000 2.189) 2.660 1.327 ( 1.511 0.000 2.189) 2.660 1.645 ( -2.905 0.000 -4.779) 5.593 1.645 ( 2.905 0.000 -4.779) 5.593 1.645 ( -2.905 0.000 4.779) 5.593 1.645 ( 2.905 0.000 4.779) 5.593 1.877 ( -0.000 0.000 -1.718) 1.718 1.877 ( 0.000 0.000 -1.718) 1.718 1.877 ( -0.000 0.000 1.718) 1.718 1.877 ( 0.000 0.000 1.718) 1.718 2.259 ( -3.980 0.000 -3.194) 5.103 2.259 ( 3.980 0.000 -3.194) 5.103 2.259 ( -3.980 0.000 3.194) 5.103 2.259 ( 3.980 0.000 3.194) 5.103 2.675 ( -5.614 0.000 -0.469) 5.634 2.675 ( -5.614 0.000 0.469) 5.634 2.675 ( 5.614 0.000 -0.469) 5.634 2.675 ( 5.614 0.000 0.469) 5.634 2.954 ( -6.737 0.000 -4.519) 8.112 2.954 ( 6.737 0.000 -4.519) 8.112 2.954 ( -6.737 0.000 4.519) 8.112 2.954 ( 6.737 0.000 4.519) 8.112 3.737 ( -2.593 0.000 -1.050) 2.797 3.737 ( 2.593 0.000 -1.050) 2.797 3.737 ( -2.593 0.000 1.050) 2.797 3.737 ( 2.593 0.000 1.050) 2.797 4.824 ( -1.068 0.000 -3.709) 3.860 4.824 ( 1.068 0.000 -3.709) 3.860 4.824 ( -1.068 0.000 3.709) 3.860 4.824 ( 1.068 0.000 3.709) 3.860 5.214 ( -0.965 0.000 -1.411) 1.709 5.214 ( 0.965 0.000 -1.411) 1.709 5.214 ( -0.965 0.000 1.411) 1.709 5.214 ( 0.965 0.000 1.411) 1.709 5.680 ( -0.012 0.000 -3.294) 3.294 5.680 ( 0.012 0.000 -3.294) 3.294 5.680 ( -0.012 0.000 3.294) 3.294 5.680 ( 0.012 0.000 3.294) 3.294 6.738 ( -0.064 0.000 -3.037) 3.038 6.738 ( 0.064 0.000 -3.037) 3.038 6.738 ( -0.064 0.000 3.037) 3.038 6.738 ( 0.064 0.000 3.037) 3.038 6.923 ( -0.203 0.000 -1.586) 1.599 6.923 ( 0.203 0.000 -1.586) 1.599 6.923 ( -0.203 0.000 1.586) 1.599 6.923 ( 0.203 0.000 1.586) 1.599 7.448 ( -1.971 0.000 -3.287) 3.832 7.448 ( 1.971 0.000 -3.287) 3.832 7.448 ( -1.971 0.000 3.287) 3.832 7.448 ( 1.971 0.000 3.287) 3.832 8.257 ( -4.263 0.000 -1.634) 4.566 8.257 ( 4.263 0.000 -1.634) 4.566 8.257 ( -4.263 0.000 1.634) 4.566 8.257 ( 4.263 0.000 1.634) 4.566 8.822 ( -0.172 0.000 -1.471) 1.481 8.822 ( -0.172 0.000 1.471) 1.481 8.822 ( 0.172 0.000 -1.471) 1.481 8.822 ( 0.172 0.000 1.471) 1.481 9.232 ( -0.661 0.000 -3.412) 3.476 9.232 ( 0.661 0.000 -3.412) 3.476 9.232 ( -0.661 0.000 3.412) 3.476 9.232 ( 0.661 0.000 3.412) 3.476 9.784 ( -2.421 0.000 -1.395) 2.794 9.784 ( 2.421 0.000 -1.395) 2.794 9.784 ( -2.421 0.000 1.395) 2.794 9.784 ( 2.421 0.000 1.395) 2.794 11.820 ( -0.020 0.000 -1.379) 1.379 11.820 ( 0.020 0.000 -1.379) 1.379 11.820 ( -0.020 0.000 1.379) 1.379 11.820 ( 0.020 0.000 1.379) 1.379 15.143 ( -0.094 0.000 -1.118) 1.122 15.143 ( -0.094 0.000 1.118) 1.122 15.143 ( 0.094 0.000 -1.118) 1.122 15.143 ( 0.094 0.000 1.118) 1.122 15.629 ( -0.924 0.000 -3.797) 3.908 15.629 ( 0.924 0.000 -3.797) 3.908 15.629 ( -0.924 0.000 3.797) 3.908 15.629 ( 0.924 0.000 3.797) 3.908 16.099 ( -0.746 0.000 -7.315) 7.353 16.099 ( 0.746 0.000 -7.315) 7.353 16.099 ( -0.746 0.000 7.315) 7.353 16.099 ( 0.746 0.000 7.315) 7.353 ======================= Grid point 150 (52/60) ======================= q-point: ( 0.00 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 5.98e-04 5.98e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.373 ( 0.000 7.105 -1.093) 7.188 1.373 ( 0.000 7.105 1.093) 7.188 1.433 ( 0.000 4.657 -2.508) 5.289 1.433 ( 0.000 4.657 2.508) 5.289 1.542 ( 0.000 3.728 -5.529) 6.668 1.542 ( 0.000 3.728 5.529) 6.668 1.697 ( 0.000 0.120 -3.041) 3.043 1.697 ( 0.000 0.120 3.041) 3.043 1.861 ( 0.000 -1.267 -1.106) 1.682 1.861 ( 0.000 -1.267 1.106) 1.682 1.878 ( 0.000 -0.631 -2.372) 2.455 1.878 ( 0.000 -0.631 2.372) 2.455 2.128 ( 0.000 0.347 -4.359) 4.373 2.128 ( 0.000 0.347 4.359) 4.373 2.274 ( 0.000 5.859 -0.854) 5.921 2.274 ( 0.000 5.859 0.854) 5.921 2.563 ( 0.000 -0.289 -0.714) 0.770 2.563 ( 0.000 -0.289 0.714) 0.770 2.733 ( 0.000 1.883 -2.200) 2.895 2.733 ( 0.000 1.883 2.200) 2.895 2.880 ( 0.000 0.369 -2.801) 2.825 2.880 ( 0.000 0.369 2.801) 2.825 3.231 ( 0.000 -0.077 -1.073) 1.076 3.231 ( 0.000 -0.077 1.073) 1.076 3.690 ( 0.000 1.905 -0.508) 1.972 3.690 ( 0.000 1.905 0.508) 1.972 3.816 ( 0.000 0.366 -0.848) 0.923 3.816 ( 0.000 0.366 0.848) 0.923 4.780 ( 0.000 -0.804 -1.247) 1.484 4.780 ( 0.000 -0.804 1.247) 1.484 4.871 ( 0.000 0.346 -1.245) 1.292 4.871 ( 0.000 0.346 1.245) 1.292 5.186 ( 0.000 0.767 -0.015) 0.768 5.186 ( 0.000 0.767 0.015) 0.768 5.284 ( 0.000 1.208 -3.137) 3.361 5.284 ( 0.000 1.208 3.137) 3.361 5.618 ( 0.000 -4.021 -0.695) 4.081 5.618 ( 0.000 -4.021 0.695) 4.081 5.702 ( 0.000 0.691 -1.486) 1.639 5.702 ( 0.000 0.691 1.486) 1.639 6.698 ( 0.000 -2.863 -2.976) 4.129 6.698 ( 0.000 -2.863 2.976) 4.129 6.801 ( 0.000 0.547 -1.505) 1.601 6.801 ( 0.000 0.547 1.505) 1.601 6.890 ( 0.000 0.833 -0.552) 0.999 6.890 ( 0.000 0.833 0.552) 0.999 6.944 ( 0.000 1.151 -0.813) 1.409 6.944 ( 0.000 1.151 0.813) 1.409 7.379 ( 0.000 0.550 -0.775) 0.950 7.379 ( 0.000 0.550 0.775) 0.950 7.492 ( 0.000 -0.865 -3.023) 3.144 7.492 ( 0.000 -0.865 3.023) 3.144 8.143 ( 0.000 -0.066 -1.460) 1.462 8.143 ( 0.000 -0.066 1.460) 1.462 8.370 ( 0.000 -0.366 -0.419) 0.557 8.370 ( 0.000 -0.366 0.419) 0.557 8.740 ( 0.000 -2.735 -2.399) 3.638 8.740 ( 0.000 -2.735 2.399) 3.638 8.856 ( 0.000 1.541 -0.955) 1.813 8.856 ( 0.000 1.541 0.955) 1.813 9.191 ( 0.000 -1.561 -1.550) 2.199 9.191 ( 0.000 -1.561 1.550) 2.199 9.266 ( 0.000 -0.642 -5.556) 5.593 9.266 ( 0.000 -0.642 5.556) 5.593 9.735 ( 0.000 1.526 -0.172) 1.536 9.735 ( 0.000 1.526 0.172) 1.536 9.876 ( 0.000 1.101 -1.101) 1.557 9.876 ( 0.000 1.101 1.101) 1.557 11.795 ( 0.000 -1.552 -0.777) 1.735 11.795 ( 0.000 -1.552 0.777) 1.735 11.823 ( 0.000 -0.387 -0.459) 0.600 11.823 ( 0.000 -0.387 0.459) 0.600 15.090 ( 0.000 -1.314 -1.868) 2.284 15.090 ( 0.000 -1.314 1.868) 2.284 15.167 ( 0.000 1.281 -0.589) 1.410 15.167 ( 0.000 1.281 0.589) 1.410 15.487 ( 0.000 -5.214 -3.173) 6.104 15.487 ( 0.000 -5.214 3.173) 6.104 15.722 ( 0.000 1.843 -0.047) 1.843 15.722 ( 0.000 1.843 0.047) 1.843 16.064 ( 0.000 -1.484 -4.380) 4.624 16.064 ( 0.000 -1.484 4.380) 4.624 16.176 ( 0.000 1.592 -3.828) 4.146 16.176 ( 0.000 1.592 3.828) 4.146 ======================= Grid point 152 (53/60) ======================= q-point: ( 0.25 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 5.98e-04 5.98e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.384 ( 0.854 7.201 -1.672) 7.442 1.384 ( 0.854 7.201 1.672) 7.442 1.426 ( -0.728 5.761 -2.183) 6.204 1.426 ( -0.728 5.761 2.183) 6.204 1.582 ( 3.315 1.710 -5.663) 6.781 1.582 ( 3.315 1.710 5.663) 6.781 1.685 ( -1.235 0.134 -3.524) 3.736 1.685 ( -1.235 0.134 3.524) 3.736 1.860 ( -0.045 -1.176 -1.133) 1.634 1.860 ( -0.045 -1.176 1.133) 1.634 1.877 ( -0.046 -0.593 -2.123) 2.205 1.877 ( -0.046 -0.593 2.123) 2.205 2.177 ( 4.252 0.624 -5.401) 6.902 2.177 ( 4.252 0.624 5.401) 6.902 2.307 ( 1.509 3.294 -1.593) 3.958 2.307 ( 1.509 3.294 1.593) 3.958 2.575 ( 2.869 1.393 -2.057) 3.795 2.575 ( 2.869 1.393 2.057) 3.795 2.738 ( 0.143 1.880 -1.977) 2.732 2.738 ( 0.143 1.880 1.977) 2.732 2.890 ( 1.073 0.170 -3.294) 3.468 2.890 ( 1.073 0.170 3.294) 3.468 3.140 ( -8.399 0.153 -2.302) 8.710 3.140 ( -8.399 0.153 2.302) 8.710 3.707 ( 1.606 1.747 -0.516) 2.429 3.707 ( 1.606 1.747 0.516) 2.429 3.796 ( -1.788 0.757 -0.921) 2.149 3.796 ( -1.788 0.757 0.921) 2.149 4.790 ( 0.957 -0.577 -1.659) 2.000 4.790 ( 0.957 -0.577 1.659) 2.000 4.860 ( -1.039 0.409 -2.231) 2.495 4.860 ( -1.039 0.409 2.231) 2.495 5.187 ( 0.176 0.175 -0.483) 0.543 5.187 ( 0.176 0.175 0.483) 0.543 5.274 ( -0.845 1.914 -2.615) 3.349 5.274 ( -0.845 1.914 2.615) 3.349 5.620 ( 0.149 -3.983 -2.371) 4.638 5.620 ( 0.149 -3.983 2.371) 4.638 5.700 ( -0.193 0.344 -2.686) 2.715 5.700 ( -0.193 0.344 2.686) 2.715 6.701 ( 0.278 -2.267 -2.645) 3.495 6.701 ( 0.278 -2.267 2.645) 3.495 6.782 ( -1.436 0.849 -1.562) 2.285 6.782 ( -1.436 0.849 1.562) 2.285 6.901 ( 0.833 0.312 -1.982) 2.173 6.901 ( 0.833 0.312 1.982) 2.173 6.945 ( 0.041 1.107 -0.954) 1.462 6.945 ( 0.041 1.107 0.954) 1.462 7.399 ( 1.748 0.116 -1.941) 2.615 7.399 ( 1.748 0.116 1.941) 2.615 7.481 ( -1.015 -0.590 -3.229) 3.436 7.481 ( -1.015 -0.590 3.229) 3.436 8.176 ( 3.033 -0.155 -1.607) 3.436 8.176 ( 3.033 -0.155 1.607) 3.436 8.334 ( -3.230 -0.329 -1.029) 3.406 8.334 ( -3.230 -0.329 1.029) 3.406 8.756 ( 1.260 -2.717 -2.147) 3.685 8.756 ( 1.260 -2.717 2.147) 3.685 8.855 ( -0.131 1.321 -1.818) 2.251 8.855 ( -0.131 1.321 1.818) 2.251 9.198 ( 0.697 -1.414 -2.296) 2.785 9.198 ( 0.697 -1.414 2.296) 2.785 9.254 ( -1.095 -0.565 -4.974) 5.124 9.254 ( -1.095 -0.565 4.974) 5.124 9.750 ( 1.450 1.339 -0.828) 2.140 9.750 ( 1.450 1.339 0.828) 2.140 9.853 ( -2.091 1.301 -1.240) 2.757 9.853 ( -2.091 1.301 1.240) 2.757 11.797 ( 0.156 -1.533 -0.995) 1.834 11.797 ( 0.156 -1.533 0.995) 1.834 11.823 ( -0.036 -0.393 -0.994) 1.069 11.823 ( -0.036 -0.393 0.994) 1.069 15.095 ( 0.400 -1.641 -1.585) 2.316 15.095 ( 0.400 -1.641 1.585) 2.316 15.177 ( 0.768 1.551 -1.165) 2.086 15.177 ( 0.768 1.551 1.165) 2.086 15.508 ( 1.799 -5.326 -3.543) 6.645 15.508 ( 1.799 -5.326 3.543) 6.645 15.704 ( -1.600 1.389 -1.618) 2.666 15.704 ( -1.600 1.389 1.618) 2.666 16.068 ( 0.571 -0.921 -4.558) 4.685 16.068 ( 0.571 -0.921 4.558) 4.685 16.155 ( -1.829 1.630 -4.266) 4.919 16.155 ( -1.829 1.630 4.266) 4.919 ======================= Grid point 154 (54/60) ======================= q-point: (-0.50 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 5.98e-04 5.98e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 53 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.401 ( 0.000 6.520 -1.251) 6.639 1.401 ( 0.000 6.520 1.251) 6.639 1.409 ( -0.000 6.956 -2.883) 7.530 1.409 ( 0.000 6.956 2.883) 7.530 1.646 ( -2.536 0.375 -4.721) 5.372 1.646 ( 2.506 0.332 -4.580) 5.231 1.646 ( -2.409 0.322 4.548) 5.157 1.646 ( 2.440 0.385 4.753) 5.356 1.860 ( 0.000 -1.040 -1.383) 1.731 1.860 ( 0.000 -1.040 1.383) 1.731 1.876 ( 0.000 -0.610 -1.996) 2.087 1.876 ( 0.000 -0.610 1.996) 2.087 2.262 ( 0.000 0.607 -4.019) 4.064 2.262 ( 0.000 0.607 4.019) 4.064 2.281 ( 0.000 1.509 -3.242) 3.576 2.281 ( -0.000 1.509 3.242) 3.576 2.672 ( 0.000 0.587 -0.752) 0.954 2.672 ( 0.000 0.587 0.752) 0.954 2.716 ( 0.000 3.127 -0.857) 3.243 2.716 ( -0.000 3.127 0.857) 3.243 2.947 ( 0.000 0.152 -4.108) 4.111 2.947 ( 0.000 0.152 4.108) 4.111 2.968 ( -0.000 0.882 -3.687) 3.791 2.968 ( -0.000 0.882 3.687) 3.791 3.742 ( 0.000 0.864 -1.344) 1.598 3.742 ( 0.000 0.864 1.344) 1.598 3.759 ( 0.000 1.837 -1.179) 2.183 3.759 ( 0.000 1.837 1.179) 2.183 4.808 ( 0.000 -0.572 -3.222) 3.273 4.808 ( 0.000 -0.572 3.222) 3.273 4.841 ( 0.000 0.739 -4.191) 4.256 4.841 ( 0.000 0.739 4.191) 4.256 5.191 ( 0.000 -0.849 -1.132) 1.415 5.191 ( 0.000 -0.849 1.132) 1.415 5.262 ( 0.000 3.006 -2.004) 3.613 5.262 ( 0.000 3.006 2.004) 3.613 5.622 ( 0.000 -3.923 -3.427) 5.209 5.622 ( 0.000 -3.923 3.427) 5.209 5.698 ( 0.000 -0.024 -3.545) 3.545 5.698 ( 0.000 -0.024 3.545) 3.545 6.706 ( 0.000 -1.578 -2.956) 3.350 6.706 ( 0.000 -1.578 2.956) 3.350 6.763 ( 0.000 0.853 -2.497) 2.639 6.763 ( 0.000 0.853 2.497) 2.639 6.912 ( 0.000 0.027 -2.567) 2.567 6.912 ( 0.000 0.027 2.567) 2.567 6.945 ( 0.000 1.021 -1.240) 1.607 6.945 ( 0.000 1.021 1.240) 1.607 7.429 ( 0.000 -0.902 -2.660) 2.809 7.429 ( 0.000 -0.902 2.660) 2.809 7.460 ( 0.000 0.276 -3.441) 3.452 7.460 ( 0.000 0.276 3.441) 3.452 8.247 ( 0.000 -0.517 -1.997) 2.063 8.247 ( 0.000 -0.517 1.997) 2.063 8.261 ( -0.000 -0.018 -1.096) 1.096 8.261 ( -0.000 -0.018 1.096) 1.096 8.772 ( 0.000 -2.699 -2.190) 3.476 8.772 ( 0.000 -2.699 2.190) 3.476 8.853 ( 0.000 1.089 -2.825) 3.028 8.853 ( 0.000 1.089 2.825) 3.028 9.211 ( 0.000 -1.339 -3.881) 4.106 9.211 ( 0.000 -1.339 3.881) 4.106 9.235 ( 0.000 -0.400 -4.205) 4.224 9.235 ( 0.000 -0.400 4.205) 4.224 9.781 ( 0.000 0.485 -1.107) 1.209 9.781 ( 0.000 0.485 1.107) 1.209 9.814 ( 0.000 2.164 -1.855) 2.850 9.814 ( -0.000 2.164 1.855) 2.850 11.799 ( 0.000 -1.518 -1.195) 1.932 11.799 ( 0.000 -1.518 1.195) 1.932 11.822 ( 0.000 -0.395 -1.368) 1.424 11.822 ( 0.000 -0.395 1.368) 1.424 15.100 ( 0.000 -1.914 -1.331) 2.331 15.100 ( 0.000 -1.914 1.331) 2.331 15.187 ( 0.000 1.719 -1.459) 2.255 15.187 ( 0.000 1.719 1.459) 2.255 15.535 ( 0.000 -5.429 -4.330) 6.944 15.535 ( 0.000 -5.429 4.330) 6.944 15.679 ( -0.000 0.928 -2.892) 3.037 15.679 ( 0.000 0.928 2.892) 3.037 16.081 ( 0.000 -0.331 -7.566) 7.573 16.081 ( 0.000 -0.331 7.566) 7.573 16.126 ( 0.000 1.689 -7.212) 7.407 16.126 ( 0.000 1.689 7.212) 7.407 ======================= Grid point 160 (55/60) ======================= q-point: ( 0.00 0.29 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 5.98e-04 5.98e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.477 ( 0.000 2.979 -3.436) 4.547 1.477 ( 0.000 2.979 3.436) 4.547 1.517 ( 0.000 3.114 -0.306) 3.129 1.517 ( 0.000 3.114 0.306) 3.129 1.629 ( 0.000 4.607 -2.234) 5.120 1.629 ( 0.000 4.607 2.234) 5.120 1.728 ( 0.000 3.127 -2.018) 3.721 1.728 ( 0.000 3.127 2.018) 3.721 1.833 ( 0.000 -1.653 -0.389) 1.698 1.833 ( 0.000 -1.653 0.389) 1.698 1.864 ( 0.000 -0.481 -1.963) 2.022 1.864 ( 0.000 -0.481 1.963) 2.022 2.149 ( 0.000 1.616 -2.270) 2.786 2.149 ( 0.000 1.616 2.270) 2.786 2.389 ( 0.000 5.097 -0.309) 5.107 2.389 ( 0.000 5.097 0.309) 5.107 2.560 ( 0.000 0.011 -0.553) 0.553 2.560 ( 0.000 0.011 0.553) 0.553 2.784 ( 0.000 3.174 -1.506) 3.513 2.784 ( 0.000 3.174 1.506) 3.513 2.894 ( 0.000 1.036 -2.020) 2.270 2.894 ( 0.000 1.036 2.020) 2.270 3.233 ( 0.000 0.389 -1.046) 1.115 3.233 ( 0.000 0.389 1.046) 1.115 3.738 ( 0.000 2.858 -1.254) 3.121 3.738 ( 0.000 2.858 1.254) 3.121 3.824 ( 0.000 0.407 -0.294) 0.502 3.824 ( 0.000 0.407 0.294) 0.502 4.775 ( 0.000 0.402 -1.309) 1.369 4.775 ( 0.000 0.402 1.309) 1.369 4.879 ( 0.000 0.577 -1.813) 1.902 4.879 ( 0.000 0.577 1.813) 1.902 5.192 ( 0.000 -0.411 -0.349) 0.539 5.192 ( 0.000 -0.411 0.349) 0.539 5.306 ( 0.000 0.889 -3.219) 3.339 5.306 ( 0.000 0.889 3.219) 3.339 5.533 ( 0.000 -4.295 -2.077) 4.771 5.533 ( 0.000 -4.295 2.077) 4.771 5.710 ( 0.000 0.234 -2.174) 2.186 5.710 ( 0.000 0.234 2.174) 2.186 6.652 ( 0.000 -1.774 -1.542) 2.350 6.652 ( 0.000 -1.774 1.542) 2.350 6.794 ( 0.000 -0.961 -1.100) 1.461 6.794 ( 0.000 -0.961 1.100) 1.461 6.911 ( 0.000 1.002 -1.287) 1.631 6.911 ( 0.000 1.002 1.287) 1.631 6.969 ( 0.000 1.401 -0.709) 1.570 6.969 ( 0.000 1.401 0.709) 1.570 7.392 ( 0.000 0.659 -0.181) 0.684 7.392 ( 0.000 0.659 0.181) 0.684 7.471 ( 0.000 -1.180 -2.389) 2.665 7.471 ( 0.000 -1.180 2.389) 2.665 8.143 ( 0.000 0.007 -1.050) 1.050 8.143 ( 0.000 0.007 1.050) 1.050 8.361 ( 0.000 -0.487 -0.446) 0.660 8.361 ( 0.000 -0.487 0.446) 0.660 8.696 ( 0.000 -1.614 -2.028) 2.592 8.696 ( 0.000 -1.614 2.028) 2.592 8.880 ( 0.000 0.988 -0.379) 1.059 8.880 ( 0.000 0.988 0.379) 1.059 9.162 ( 0.000 -1.215 -2.259) 2.565 9.162 ( 0.000 -1.215 2.259) 2.565 9.239 ( 0.000 -2.020 -5.339) 5.708 9.239 ( 0.000 -2.020 5.339) 5.708 9.773 ( 0.000 2.049 -0.283) 2.068 9.773 ( 0.000 2.049 0.283) 2.068 9.900 ( 0.000 1.279 -0.740) 1.477 9.900 ( 0.000 1.279 0.740) 1.477 11.764 ( 0.000 -1.443 -0.446) 1.511 11.764 ( 0.000 -1.443 0.446) 1.511 11.809 ( 0.000 -0.903 -0.395) 0.986 11.809 ( 0.000 -0.903 0.395) 0.986 15.067 ( 0.000 -1.091 -1.532) 1.881 15.067 ( 0.000 -1.091 1.532) 1.881 15.184 ( 0.000 0.513 -1.045) 1.165 15.184 ( 0.000 0.513 1.045) 1.165 15.374 ( 0.000 -5.940 -2.721) 6.534 15.374 ( 0.000 -5.940 2.721) 6.534 15.733 ( 0.000 -0.843 -1.404) 1.637 15.733 ( 0.000 -0.843 1.404) 1.637 16.055 ( 0.000 0.852 -0.850) 1.204 16.055 ( 0.000 0.852 0.850) 1.204 16.213 ( 0.000 2.058 -1.566) 2.586 16.213 ( 0.000 2.058 1.566) 2.586 ======================= Grid point 162 (56/60) ======================= q-point: ( 0.25 0.29 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 5.98e-04 5.98e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.494 ( 0.981 2.909 -1.921) 3.621 1.494 ( 0.981 2.909 1.921) 3.621 1.519 ( 0.094 3.051 -1.283) 3.311 1.519 ( 0.094 3.051 1.283) 3.311 1.641 ( 1.393 4.110 -2.825) 5.179 1.641 ( 1.393 4.110 2.825) 5.179 1.715 ( -1.273 3.110 -2.220) 4.028 1.715 ( -1.273 3.110 2.220) 4.028 1.840 ( 0.629 -0.864 -1.266) 1.657 1.840 ( 0.629 -0.864 1.266) 1.657 1.862 ( -0.143 -0.550 -2.287) 2.357 1.862 ( -0.143 -0.550 2.287) 2.357 2.193 ( 4.039 0.972 -3.924) 5.715 2.193 ( 4.039 0.972 3.924) 5.715 2.366 ( -2.471 2.251 -0.830) 3.444 2.366 ( -2.471 2.251 0.830) 3.444 2.608 ( 4.588 1.650 -1.472) 5.093 2.608 ( 4.588 1.650 1.472) 5.093 2.789 ( 0.234 3.171 -1.844) 3.676 2.789 ( 0.234 3.171 1.844) 3.676 2.901 ( 1.180 1.109 -2.209) 2.739 2.901 ( 1.180 1.109 2.209) 2.739 3.149 ( -7.658 0.826 -1.563) 7.860 3.149 ( -7.658 0.826 1.563) 7.860 3.750 ( 0.995 2.421 -1.186) 2.874 3.750 ( 0.995 2.421 1.186) 2.874 3.815 ( -0.789 1.132 -0.789) 1.589 3.815 ( -0.789 1.132 0.789) 1.589 4.788 ( 1.127 0.387 -1.664) 2.047 4.788 ( 1.127 0.387 1.664) 2.047 4.870 ( -0.877 0.618 -2.463) 2.687 4.870 ( -0.877 0.618 2.463) 2.687 5.183 ( -0.692 -0.701 -0.388) 1.059 5.183 ( -0.692 -0.701 0.388) 1.059 5.311 ( 0.290 1.414 -3.085) 3.406 5.311 ( 0.290 1.414 3.085) 3.406 5.538 ( 0.443 -3.947 -3.002) 4.978 5.538 ( 0.443 -3.947 3.002) 4.978 5.699 ( -0.909 -0.252 -2.790) 2.945 5.699 ( -0.909 -0.252 2.790) 2.945 6.665 ( 1.150 -1.325 -2.155) 2.779 6.665 ( 1.150 -1.325 2.155) 2.779 6.784 ( -0.894 -0.471 -1.022) 1.437 6.784 ( -0.894 -0.471 1.022) 1.437 6.916 ( 0.459 0.933 -2.141) 2.380 6.916 ( 0.459 0.933 2.141) 2.380 6.964 ( -0.442 0.884 -0.935) 1.360 6.964 ( -0.442 0.884 0.935) 1.360 7.402 ( 0.909 0.205 -1.252) 1.561 7.402 ( 0.909 0.205 1.252) 1.561 7.466 ( -0.465 -0.927 -2.658) 2.853 7.466 ( -0.465 -0.927 2.658) 2.853 8.173 ( 2.859 -0.100 -1.232) 3.115 8.173 ( 2.859 -0.100 1.232) 3.115 8.326 ( -3.148 -0.442 -0.831) 3.285 8.326 ( -3.148 -0.442 0.831) 3.285 8.712 ( 1.203 -1.715 -2.269) 3.088 8.712 ( 1.203 -1.715 2.269) 3.088 8.875 ( -0.426 0.863 -2.532) 2.709 8.875 ( -0.426 0.863 2.532) 2.709 9.171 ( 0.762 -1.261 -3.136) 3.465 9.171 ( 0.762 -1.261 3.136) 3.465 9.231 ( -0.693 -1.638 -4.941) 5.252 9.231 ( -0.693 -1.638 4.941) 5.252 9.782 ( 0.862 1.685 -0.610) 1.988 9.782 ( 0.862 1.685 0.610) 1.988 9.882 ( -1.552 1.578 -1.161) 2.499 9.882 ( -1.552 1.578 1.161) 2.499 11.766 ( 0.135 -1.487 -0.675) 1.639 11.766 ( 0.135 -1.487 0.675) 1.639 11.809 ( 0.002 -0.851 -0.896) 1.236 11.809 ( 0.002 -0.851 0.896) 1.236 15.068 ( 0.131 -1.179 -1.761) 2.124 15.068 ( 0.131 -1.179 1.761) 2.124 15.192 ( 0.498 -0.095 -1.204) 1.306 15.192 ( 0.498 -0.095 1.204) 1.306 15.401 ( 2.448 -5.106 -3.276) 6.542 15.401 ( 2.448 -5.106 3.276) 6.542 15.703 ( -2.643 -1.424 -1.465) 3.341 15.703 ( -2.643 -1.424 1.465) 3.341 16.071 ( 1.394 1.196 -3.300) 3.777 16.071 ( 1.394 1.196 3.300) 3.777 16.193 ( -1.746 2.143 -3.062) 4.125 16.193 ( -1.746 2.143 3.062) 4.125 ======================= Grid point 164 (57/60) ======================= q-point: (-0.50 0.29 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 5.98e-04 5.98e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 53 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.504 ( 0.000 2.776 -0.833) 2.899 1.504 ( 0.000 2.776 0.833) 2.899 1.519 ( 0.000 3.192 -2.259) 3.911 1.519 ( 0.000 3.192 2.259) 3.911 1.678 ( 0.000 2.746 -3.653) 4.570 1.678 ( 0.000 2.746 3.653) 4.570 1.681 ( -0.000 3.879 -4.136) 5.670 1.681 ( -0.000 3.879 4.136) 5.670 1.851 ( 0.000 0.456 -1.698) 1.758 1.851 ( 0.000 0.456 1.698) 1.758 1.858 ( 0.000 -1.180 -2.411) 2.685 1.858 ( 0.000 -1.180 2.411) 2.685 2.274 ( 0.000 0.569 -3.847) 3.889 2.274 ( 0.000 0.569 3.847) 3.889 2.304 ( 0.000 0.699 -3.388) 3.459 2.304 ( -0.000 0.699 3.388) 3.459 2.685 ( 0.000 0.443 -0.902) 1.005 2.685 ( 0.000 0.443 0.902) 1.005 2.783 ( 0.000 3.409 -1.360) 3.670 2.783 ( 0.000 3.409 1.360) 3.670 2.968 ( 0.000 1.926 -2.965) 3.535 2.968 ( 0.000 1.926 2.965) 3.535 2.992 ( -0.000 1.623 -2.110) 2.663 2.992 ( -0.000 1.623 2.110) 2.663 3.765 ( 0.000 1.437 -1.637) 2.178 3.765 ( 0.000 1.437 1.637) 2.178 3.802 ( 0.000 2.378 -1.636) 2.886 3.802 ( 0.000 2.378 1.636) 2.886 4.806 ( 0.000 0.247 -2.485) 2.497 4.806 ( 0.000 0.247 2.485) 2.497 4.855 ( 0.000 0.794 -3.732) 3.816 4.855 ( 0.000 0.794 3.732) 3.816 5.175 ( 0.000 -0.925 -0.346) 0.987 5.175 ( 0.000 -0.925 0.346) 0.987 5.314 ( 0.000 1.824 -3.019) 3.527 5.314 ( 0.000 1.824 3.019) 3.527 5.545 ( 0.000 -3.443 -3.928) 5.223 5.545 ( 0.000 -3.443 3.928) 5.223 5.687 ( 0.000 -0.853 -3.436) 3.540 5.687 ( 0.000 -0.853 3.436) 3.540 6.682 ( 0.000 -0.875 -3.134) 3.254 6.682 ( 0.000 -0.875 3.134) 3.254 6.770 ( 0.000 -0.012 -1.606) 1.606 6.770 ( 0.000 -0.012 1.606) 1.606 6.923 ( 0.000 1.049 -3.360) 3.520 6.923 ( 0.000 1.049 3.360) 3.520 6.957 ( 0.000 0.209 -1.010) 1.031 6.957 ( 0.000 0.209 1.010) 1.031 7.416 ( 0.000 -0.484 -1.823) 1.886 7.416 ( 0.000 -0.484 1.823) 1.886 7.458 ( 0.000 -0.442 -2.990) 3.022 7.458 ( 0.000 -0.442 2.990) 3.022 8.239 ( 0.000 -0.261 -1.988) 2.005 8.239 ( 0.000 -0.261 1.988) 2.005 8.257 ( -0.000 -0.341 -0.483) 0.591 8.257 ( -0.000 -0.341 0.483) 0.591 8.727 ( 0.000 -1.831 -2.851) 3.388 8.727 ( 0.000 -1.831 2.851) 3.388 8.869 ( 0.000 0.761 -3.950) 4.022 8.869 ( 0.000 0.761 3.950) 4.022 9.183 ( 0.000 -1.536 -4.915) 5.149 9.183 ( 0.000 -1.536 4.915) 5.149 9.220 ( 0.000 -1.031 -4.961) 5.067 9.220 ( 0.000 -1.031 4.961) 5.067 9.797 ( 0.000 0.966 -1.257) 1.585 9.797 ( 0.000 0.966 1.257) 1.585 9.859 ( 0.000 2.230 -2.060) 3.036 9.859 ( 0.000 2.230 2.060) 3.036 11.768 ( 0.000 -1.535 -0.856) 1.757 11.768 ( 0.000 -1.535 0.856) 1.757 11.809 ( 0.000 -0.796 -1.214) 1.451 11.809 ( 0.000 -0.796 1.214) 1.451 15.070 ( 0.000 -1.264 -1.931) 2.308 15.070 ( 0.000 -1.264 1.931) 2.308 15.197 ( 0.000 -0.709 -1.232) 1.421 15.197 ( 0.000 -0.709 1.232) 1.421 15.438 ( 0.000 -4.094 -4.292) 5.931 15.438 ( 0.000 -4.094 4.292) 5.931 15.664 ( 0.000 -2.145 -2.250) 3.108 15.664 ( 0.000 -2.145 2.250) 3.108 16.094 ( 0.000 1.461 -7.607) 7.746 16.094 ( 0.000 1.461 7.607) 7.746 16.166 ( 0.000 2.272 -6.898) 7.262 16.166 ( 0.000 2.272 6.898) 7.262 ======================= Grid point 170 (58/60) ======================= q-point: ( 0.00 0.43 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 5.98e-04 5.98e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.506 ( 0.000 0.353 -1.046) 1.104 1.506 ( 0.000 0.353 1.046) 1.104 1.544 ( 0.000 0.550 -0.180) 0.579 1.544 ( 0.000 0.550 0.180) 0.579 1.711 ( 0.000 3.377 -1.068) 3.542 1.711 ( 0.000 3.377 1.068) 3.542 1.770 ( 0.000 0.383 -1.317) 1.372 1.770 ( 0.000 0.383 1.317) 1.372 1.799 ( 0.000 -1.403 -2.755) 3.092 1.799 ( 0.000 -1.403 2.755) 3.092 1.867 ( 0.000 0.527 -0.707) 0.882 1.867 ( 0.000 0.527 0.707) 0.882 2.177 ( 0.000 0.978 -0.680) 1.191 2.177 ( 0.000 0.978 0.680) 1.191 2.451 ( 0.000 1.397 -0.053) 1.398 2.451 ( 0.000 1.397 0.053) 1.398 2.562 ( 0.000 0.169 -0.230) 0.286 2.562 ( 0.000 0.169 0.230) 0.286 2.836 ( 0.000 1.660 -0.617) 1.771 2.836 ( 0.000 1.660 0.617) 1.771 2.914 ( 0.000 0.791 -0.792) 1.120 2.914 ( 0.000 0.791 0.792) 1.120 3.243 ( 0.000 0.432 -0.408) 0.594 3.243 ( 0.000 0.432 0.408) 0.594 3.785 ( 0.000 1.575 -1.491) 2.169 3.785 ( 0.000 1.575 1.491) 2.169 3.829 ( 0.000 0.040 -1.120) 1.121 3.829 ( 0.000 0.040 1.120) 1.121 4.789 ( 0.000 0.658 -1.352) 1.503 4.789 ( 0.000 0.658 1.352) 1.503 4.892 ( 0.000 0.597 -1.766) 1.864 4.892 ( 0.000 0.597 1.766) 1.864 5.172 ( 0.000 -1.197 -0.028) 1.197 5.172 ( 0.000 -1.197 0.028) 1.197 5.316 ( 0.000 0.194 -1.628) 1.639 5.316 ( 0.000 0.194 1.628) 1.639 5.473 ( 0.000 -1.724 -1.423) 2.235 5.473 ( 0.000 -1.724 1.423) 2.235 5.714 ( 0.000 0.161 -1.024) 1.036 5.714 ( 0.000 0.161 1.024) 1.036 6.632 ( 0.000 -0.405 -0.401) 0.570 6.632 ( 0.000 -0.405 0.401) 0.570 6.775 ( 0.000 -0.698 -0.531) 0.877 6.775 ( 0.000 -0.698 0.531) 0.877 6.922 ( 0.000 0.233 -0.440) 0.497 6.922 ( 0.000 0.233 0.440) 0.497 6.992 ( 0.000 0.779 -0.127) 0.789 6.992 ( 0.000 0.779 0.127) 0.789 7.402 ( 0.000 0.314 -0.210) 0.378 7.402 ( 0.000 0.314 0.210) 0.378 7.452 ( 0.000 -0.614 -1.086) 1.248 7.452 ( 0.000 -0.614 1.086) 1.248 8.143 ( 0.000 0.029 -0.361) 0.363 8.143 ( 0.000 0.029 0.361) 0.363 8.353 ( 0.000 -0.231 -0.219) 0.318 8.353 ( 0.000 -0.231 0.219) 0.318 8.678 ( 0.000 -0.388 -0.745) 0.840 8.678 ( 0.000 -0.388 0.745) 0.840 8.895 ( 0.000 0.435 -0.133) 0.455 8.895 ( 0.000 0.435 0.133) 0.455 9.147 ( 0.000 -0.337 -1.613) 1.648 9.147 ( 0.000 -0.337 1.613) 1.648 9.203 ( 0.000 -1.253 -2.756) 3.027 9.203 ( 0.000 -1.253 2.756) 3.027 9.803 ( 0.000 0.911 -0.148) 0.923 9.803 ( 0.000 0.911 0.148) 0.923 9.919 ( 0.000 0.547 -0.247) 0.601 9.919 ( 0.000 0.547 0.247) 0.601 11.744 ( 0.000 -0.557 -0.149) 0.577 11.744 ( 0.000 -0.557 0.149) 0.577 11.795 ( 0.000 -0.466 -0.148) 0.489 11.795 ( 0.000 -0.466 0.148) 0.489 15.051 ( 0.000 -0.481 -0.580) 0.753 15.051 ( 0.000 -0.481 0.580) 0.753 15.190 ( 0.000 0.146 -0.826) 0.838 15.190 ( 0.000 0.146 0.826) 0.838 15.285 ( 0.000 -2.699 -1.456) 3.067 15.285 ( 0.000 -2.699 1.456) 3.067 15.708 ( 0.000 -1.071 -0.785) 1.328 15.708 ( 0.000 -1.071 0.785) 1.328 16.080 ( 0.000 1.012 -0.014) 1.012 16.080 ( 0.000 1.012 0.014) 1.012 16.245 ( 0.000 0.999 -0.426) 1.086 16.245 ( 0.000 0.999 0.426) 1.086 ======================= Grid point 172 (59/60) ======================= q-point: ( 0.25 0.43 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 5.98e-04 5.98e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.517 ( 0.622 0.190 -0.561) 0.859 1.517 ( 0.622 0.190 0.561) 0.859 1.545 ( 0.069 0.467 -0.652) 0.805 1.545 ( 0.069 0.467 0.652) 0.805 1.711 ( 0.249 2.251 -0.862) 2.424 1.711 ( 0.249 2.251 0.862) 2.424 1.765 ( -0.403 1.602 -2.263) 2.802 1.765 ( -0.403 1.602 2.263) 2.802 1.820 ( 1.410 -1.131 -2.655) 3.212 1.820 ( 1.410 -1.131 2.655) 3.212 1.867 ( 0.149 0.645 -1.300) 1.459 1.867 ( 0.149 0.645 1.300) 1.459 2.209 ( 3.122 0.539 -1.810) 3.648 2.209 ( 3.122 0.539 1.810) 3.648 2.391 ( -4.316 0.528 -0.583) 4.387 2.391 ( -4.316 0.528 0.583) 4.387 2.628 ( 4.525 0.454 -1.014) 4.659 2.628 ( 4.525 0.454 1.014) 4.659 2.838 ( -0.099 1.434 -1.108) 1.815 2.838 ( -0.099 1.434 1.108) 1.815 2.927 ( 1.836 1.079 -1.110) 2.401 2.927 ( 1.836 1.079 1.110) 2.401 3.166 ( -6.910 0.669 -1.062) 7.023 3.166 ( -6.910 0.669 1.062) 7.023 3.786 ( 0.136 1.103 -1.905) 2.205 3.786 ( 0.136 1.103 1.905) 2.205 3.834 ( 0.405 0.652 -1.544) 1.724 3.834 ( 0.405 0.652 1.544) 1.724 4.799 ( 0.877 0.515 -1.477) 1.794 4.799 ( 0.877 0.515 1.477) 1.794 4.882 ( -0.897 0.477 -2.292) 2.507 4.882 ( -0.897 0.477 2.292) 2.507 5.165 ( -0.505 -0.875 -1.417) 1.741 5.165 ( -0.505 -0.875 1.417) 1.741 5.320 ( 0.218 -0.138 -2.548) 2.561 5.320 ( 0.218 -0.138 2.548) 2.561 5.488 ( 1.403 -1.176 -1.611) 2.439 5.488 ( 1.403 -1.176 1.611) 2.439 5.696 ( -1.571 -0.060 -1.873) 2.445 5.696 ( -1.571 -0.060 1.873) 2.445 6.650 ( 1.538 -0.302 -2.298) 2.782 6.650 ( 1.538 -0.302 2.298) 2.782 6.772 ( -0.294 -0.468 -0.502) 0.747 6.772 ( -0.294 -0.468 0.502) 0.747 6.927 ( 0.576 0.248 -1.163) 1.321 6.927 ( 0.576 0.248 1.163) 1.321 6.979 ( -1.183 0.551 -1.233) 1.795 6.979 ( -1.183 0.551 1.233) 1.795 7.406 ( 0.338 0.130 -0.779) 0.859 7.406 ( 0.338 0.130 0.779) 0.859 7.451 ( -0.130 -0.519 -1.816) 1.893 7.451 ( -0.130 -0.519 1.816) 1.893 8.172 ( 2.721 -0.021 -0.695) 2.808 8.172 ( 2.721 -0.021 0.695) 2.808 8.319 ( -3.078 -0.207 -0.533) 3.130 8.319 ( -3.078 -0.207 0.533) 3.130 8.691 ( 1.026 -0.471 -1.898) 2.209 8.691 ( 1.026 -0.471 1.898) 2.209 8.889 ( -0.484 0.434 -2.801) 2.876 8.889 ( -0.484 0.434 2.801) 2.876 9.153 ( 0.435 -0.523 -3.607) 3.671 9.153 ( 0.435 -0.523 3.607) 3.671 9.203 ( 0.010 -0.927 -3.878) 3.987 9.203 ( 0.010 -0.927 3.878) 3.987 9.807 ( 0.315 0.728 -0.672) 1.040 9.807 ( 0.315 0.728 0.672) 1.040 9.906 ( -1.092 0.695 -1.204) 1.768 9.906 ( -1.092 0.695 1.204) 1.768 11.745 ( 0.056 -0.598 -0.331) 0.686 11.745 ( 0.056 -0.598 0.331) 0.686 11.796 ( 0.087 -0.423 -0.767) 0.880 11.796 ( 0.087 -0.423 0.767) 0.880 15.051 ( 0.083 -0.476 -1.801) 1.865 15.051 ( 0.083 -0.476 1.801) 1.865 15.180 ( -0.615 -0.720 -0.634) 1.139 15.180 ( -0.615 -0.720 0.634) 1.139 15.333 ( 3.865 -1.766 -2.745) 5.059 15.333 ( 3.865 -1.766 2.745) 5.059 15.671 ( -3.198 -1.197 -0.942) 3.542 15.671 ( -3.198 -1.197 0.942) 3.542 16.097 ( 1.542 1.010 -3.314) 3.792 16.097 ( 1.542 1.010 3.314) 3.792 16.227 ( -1.608 1.051 -2.807) 3.402 16.227 ( -1.608 1.051 2.807) 3.402 ======================= Grid point 174 (60/60) ======================= q-point: (-0.50 0.43 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 5.98e-04 5.98e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 53 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.523 ( 0.000 0.097 -0.425) 0.436 1.523 ( 0.000 0.097 0.425) 0.436 1.546 ( 0.000 0.390 -0.992) 1.066 1.546 ( 0.000 0.390 0.992) 1.066 1.716 ( 0.000 0.890 -1.755) 1.968 1.716 ( 0.000 0.890 1.755) 1.968 1.760 ( 0.000 3.031 -3.505) 4.633 1.760 ( 0.000 3.031 3.505) 4.633 1.834 ( 0.000 -1.139 -2.515) 2.760 1.834 ( 0.000 -1.139 2.515) 2.760 1.872 ( 0.000 1.044 -1.795) 2.077 1.872 ( 0.000 1.044 1.795) 2.077 2.282 ( 0.000 0.211 -2.170) 2.180 2.282 ( 0.000 0.211 2.170) 2.180 2.309 ( 0.000 -0.020 -3.165) 3.165 2.309 ( -0.000 -0.020 3.165) 3.165 2.687 ( 0.000 -0.034 -0.771) 0.772 2.687 ( 0.000 -0.034 0.771) 0.772 2.831 ( 0.000 1.313 -1.915) 2.322 2.831 ( 0.000 1.313 1.915) 2.322 3.006 ( 0.000 1.399 -2.530) 2.891 3.006 ( -0.000 1.399 2.530) 2.891 3.021 ( -0.000 1.079 -0.694) 1.283 3.021 ( -0.000 1.079 0.694) 1.283 3.788 ( 0.000 0.734 -1.979) 2.111 3.788 ( 0.000 0.734 1.979) 2.111 3.839 ( 0.000 1.153 -1.732) 2.081 3.839 ( 0.000 1.153 1.732) 2.081 4.812 ( 0.000 0.280 -1.084) 1.120 4.812 ( 0.000 0.280 1.084) 1.120 4.868 ( 0.000 0.454 -3.229) 3.261 4.868 ( 0.000 0.454 3.229) 3.261 5.159 ( 0.000 -0.565 -1.851) 1.936 5.159 ( 0.000 -0.565 1.851) 1.936 5.322 ( 0.000 -0.479 -3.317) 3.352 5.322 ( 0.000 -0.479 3.317) 3.352 5.509 ( 0.000 -0.474 -1.835) 1.895 5.509 ( 0.000 -0.474 1.835) 1.895 5.673 ( 0.000 -0.420 -2.624) 2.657 5.673 ( 0.000 -0.420 2.624) 2.657 6.672 ( 0.000 -0.232 -3.395) 3.403 6.672 ( 0.000 -0.232 3.395) 3.403 6.767 ( 0.000 -0.182 -0.820) 0.840 6.767 ( 0.000 -0.182 0.820) 0.840 6.943 ( 0.000 0.685 -2.735) 2.819 6.943 ( -0.000 0.685 2.735) 2.819 6.956 ( -0.000 -0.120 -0.989) 0.996 6.956 ( 0.000 -0.120 0.989) 0.996 7.410 ( 0.000 -0.124 -1.104) 1.111 7.410 ( 0.000 -0.124 1.104) 1.111 7.448 ( 0.000 -0.357 -2.364) 2.391 7.448 ( 0.000 -0.357 2.364) 2.391 8.236 ( 0.000 -0.058 -1.773) 1.774 8.236 ( 0.000 -0.058 1.773) 1.774 8.251 ( -0.000 -0.193 -0.254) 0.319 8.251 ( -0.000 -0.193 0.254) 0.319 8.704 ( 0.000 -0.564 -2.851) 2.906 8.704 ( 0.000 -0.564 2.851) 2.906 8.882 ( 0.000 0.449 -4.193) 4.217 8.882 ( 0.000 0.449 4.193) 4.217 9.158 ( 0.000 -0.790 -5.374) 5.432 9.158 ( 0.000 -0.790 5.374) 5.432 9.203 ( 0.000 -0.524 -5.275) 5.301 9.203 ( 0.000 -0.524 5.275) 5.301 9.812 ( 0.000 0.463 -1.355) 1.432 9.812 ( 0.000 0.463 1.355) 1.432 9.891 ( 0.000 0.924 -2.120) 2.313 9.891 ( 0.000 0.924 2.120) 2.313 11.746 ( 0.000 -0.638 -0.452) 0.782 11.746 ( 0.000 -0.638 0.452) 0.782 11.797 ( 0.000 -0.382 -1.065) 1.132 11.797 ( 0.000 -0.382 1.065) 1.132 15.053 ( 0.000 -0.479 -2.424) 2.471 15.053 ( 0.000 -0.479 2.424) 2.471 15.173 ( 0.000 -1.125 -0.433) 1.206 15.173 ( 0.000 -1.125 0.433) 1.206 15.388 ( 0.000 -1.184 -3.886) 4.063 15.388 ( 0.000 -1.184 3.886) 4.063 15.623 ( 0.000 -1.422 -1.690) 2.209 15.623 ( 0.000 -1.422 1.690) 2.209 16.121 ( 0.000 0.967 -7.288) 7.352 16.121 ( 0.000 0.967 7.288) 7.352 16.202 ( 0.000 1.143 -6.548) 6.647 16.202 ( 0.000 1.143 6.548) 6.647 =================== 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 3/18816 10.0 133.626 170.897 166.948 0.000 0.000 0.000 3/18816 20.0 21.471 42.305 47.795 0.000 0.000 0.000 3/18816 30.0 9.899 21.525 24.809 0.000 0.000 0.000 3/18816 40.0 6.297 13.668 16.024 0.000 0.000 0.000 3/18816 50.0 4.580 9.687 11.498 0.000 0.000 0.000 3/18816 60.0 3.582 7.372 8.818 0.000 0.000 0.000 3/18816 70.0 2.933 5.899 7.089 0.000 0.000 0.000 3/18816 80.0 2.479 4.897 5.903 0.000 0.000 0.000 3/18816 90.0 2.146 4.180 5.048 0.000 0.000 0.000 3/18816 100.0 1.892 3.644 4.408 0.000 0.000 0.000 3/18816 110.0 1.691 3.231 3.914 0.000 0.000 0.000 3/18816 120.0 1.530 2.903 3.522 0.000 0.000 0.000 3/18816 130.0 1.397 2.637 3.204 0.000 0.000 0.000 3/18816 140.0 1.286 2.417 2.941 0.000 0.000 0.000 3/18816 150.0 1.192 2.232 2.720 0.000 0.000 0.000 3/18816 160.0 1.111 2.075 2.532 0.000 0.000 0.000 3/18816 170.0 1.041 1.939 2.370 0.000 0.000 0.000 3/18816 180.0 0.979 1.821 2.229 0.000 0.000 0.000 3/18816 190.0 0.925 1.717 2.105 0.000 0.000 0.000 3/18816 200.0 0.876 1.624 1.995 0.000 0.000 0.000 3/18816 210.0 0.833 1.542 1.897 0.000 0.000 0.000 3/18816 220.0 0.793 1.467 1.808 0.000 0.000 0.000 3/18816 230.0 0.757 1.400 1.728 0.000 0.000 0.000 3/18816 240.0 0.725 1.339 1.655 0.000 0.000 0.000 3/18816 250.0 0.695 1.284 1.588 0.000 0.000 0.000 3/18816 260.0 0.668 1.232 1.527 0.000 0.000 0.000 3/18816 270.0 0.643 1.185 1.470 0.000 0.000 0.000 3/18816 280.0 0.619 1.142 1.418 0.000 0.000 0.000 3/18816 290.0 0.597 1.101 1.369 0.000 0.000 0.000 3/18816 300.0 0.577 1.064 1.324 0.000 0.000 0.000 3/18816 310.0 0.558 1.029 1.282 0.000 0.000 0.000 3/18816 320.0 0.541 0.996 1.242 0.000 0.000 0.000 3/18816 330.0 0.524 0.965 1.205 0.000 0.000 0.000 3/18816 340.0 0.509 0.937 1.170 0.000 0.000 0.000 3/18816 350.0 0.494 0.910 1.137 0.000 0.000 0.000 3/18816 360.0 0.480 0.884 1.106 0.000 0.000 0.000 3/18816 370.0 0.467 0.860 1.077 0.000 0.000 0.000 3/18816 380.0 0.455 0.837 1.049 0.000 0.000 0.000 3/18816 390.0 0.443 0.815 1.022 0.000 0.000 0.000 3/18816 400.0 0.432 0.795 0.997 0.000 0.000 0.000 3/18816 410.0 0.421 0.775 0.973 0.000 0.000 0.000 3/18816 420.0 0.411 0.757 0.950 0.000 0.000 0.000 3/18816 430.0 0.402 0.739 0.929 0.000 0.000 0.000 3/18816 440.0 0.393 0.722 0.908 0.000 0.000 0.000 3/18816 450.0 0.384 0.706 0.888 0.000 0.000 0.000 3/18816 460.0 0.376 0.691 0.869 0.000 0.000 0.000 3/18816 470.0 0.368 0.676 0.851 0.000 0.000 0.000 3/18816 480.0 0.360 0.662 0.833 0.000 0.000 0.000 3/18816 490.0 0.353 0.648 0.817 0.000 0.000 0.000 3/18816 500.0 0.346 0.635 0.801 0.000 0.000 0.000 3/18816 510.0 0.339 0.623 0.785 0.000 0.000 0.000 3/18816 520.0 0.332 0.611 0.770 0.000 0.000 0.000 3/18816 530.0 0.326 0.599 0.756 0.000 0.000 0.000 3/18816 540.0 0.320 0.588 0.742 0.000 0.000 0.000 3/18816 550.0 0.314 0.578 0.729 0.000 0.000 0.000 3/18816 560.0 0.309 0.567 0.716 0.000 0.000 0.000 3/18816 570.0 0.303 0.557 0.704 0.000 0.000 0.000 3/18816 580.0 0.298 0.548 0.692 0.000 0.000 0.000 3/18816 590.0 0.293 0.538 0.680 0.000 0.000 0.000 3/18816 600.0 0.288 0.529 0.669 0.000 0.000 0.000 3/18816 610.0 0.283 0.521 0.658 0.000 0.000 0.000 3/18816 620.0 0.279 0.512 0.648 0.000 0.000 0.000 3/18816 630.0 0.274 0.504 0.638 0.000 0.000 0.000 3/18816 640.0 0.270 0.496 0.628 0.000 0.000 0.000 3/18816 650.0 0.266 0.489 0.618 0.000 0.000 0.000 3/18816 660.0 0.262 0.481 0.609 0.000 0.000 0.000 3/18816 670.0 0.258 0.474 0.600 0.000 0.000 0.000 3/18816 680.0 0.254 0.467 0.591 0.000 0.000 0.000 3/18816 690.0 0.251 0.460 0.583 0.000 0.000 0.000 3/18816 700.0 0.247 0.454 0.575 0.000 0.000 0.000 3/18816 710.0 0.244 0.448 0.567 0.000 0.000 0.000 3/18816 720.0 0.240 0.441 0.559 0.000 0.000 0.000 3/18816 730.0 0.237 0.435 0.551 0.000 0.000 0.000 3/18816 740.0 0.234 0.429 0.544 0.000 0.000 0.000 3/18816 750.0 0.231 0.424 0.537 0.000 0.000 0.000 3/18816 760.0 0.228 0.418 0.530 0.000 0.000 0.000 3/18816 770.0 0.225 0.413 0.523 0.000 0.000 0.000 3/18816 780.0 0.222 0.407 0.516 0.000 0.000 0.000 3/18816 790.0 0.219 0.402 0.510 0.000 0.000 0.000 3/18816 800.0 0.216 0.397 0.504 0.000 0.000 0.000 3/18816 810.0 0.214 0.392 0.497 0.000 0.000 0.000 3/18816 820.0 0.211 0.388 0.491 0.000 0.000 0.000 3/18816 830.0 0.208 0.383 0.486 0.000 0.000 0.000 3/18816 840.0 0.206 0.378 0.480 0.000 0.000 0.000 3/18816 850.0 0.204 0.374 0.474 0.000 0.000 0.000 3/18816 860.0 0.201 0.370 0.469 0.000 0.000 0.000 3/18816 870.0 0.199 0.365 0.463 0.000 0.000 0.000 3/18816 880.0 0.197 0.361 0.458 0.000 0.000 0.000 3/18816 890.0 0.194 0.357 0.453 0.000 0.000 0.000 3/18816 900.0 0.192 0.353 0.448 0.000 0.000 0.000 3/18816 910.0 0.190 0.349 0.443 0.000 0.000 0.000 3/18816 920.0 0.188 0.346 0.439 0.000 0.000 0.000 3/18816 930.0 0.186 0.342 0.434 0.000 0.000 0.000 3/18816 940.0 0.184 0.338 0.429 0.000 0.000 0.000 3/18816 950.0 0.182 0.335 0.425 0.000 0.000 0.000 3/18816 960.0 0.180 0.331 0.420 0.000 0.000 0.000 3/18816 970.0 0.178 0.328 0.416 0.000 0.000 0.000 3/18816 980.0 0.177 0.324 0.412 0.000 0.000 0.000 3/18816 990.0 0.175 0.321 0.408 0.000 0.000 0.000 3/18816 1000.0 0.173 0.318 0.404 0.000 0.000 0.000 3/18816 Thermal conductivity related properties were written into "kappa-m478.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 14:33:48]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|