----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 08:29:19]------------------------- 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: [2 1 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) Number of symmetry operations in supercell: 8 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.279340410552781 0.000000000000000 0.000000000000000 b 0.000000000000000 10.080261530000000 0.000000000000000 c -0.899618177818180 0.000000000000000 9.641505237801001 Atomic positions (fractional): *1 O 0.18068955538088 0.56556037286335 0.73135892739118 15.999 2 O 0.81931044461912 0.06556037286335 0.76864107260882 15.999 3 O 0.81931044461912 0.43443962713665 0.26864107260882 15.999 4 O 0.18068955538088 0.93443962713665 0.23135892739118 15.999 *5 O 0.22629448567743 0.09243555626137 0.83564056019167 15.999 6 O 0.77370551432256 0.59243555626137 0.66435943980833 15.999 7 O 0.77370551432256 0.90756444373863 0.16435943980832 15.999 8 O 0.22629448567743 0.40756444373863 0.33564056019167 15.999 *9 O 0.95782634214270 0.34773243053147 0.50749988680904 15.999 10 O 0.04217365785730 0.84773243053147 0.99250011319096 15.999 11 O 0.04217365785730 0.65226756946853 0.49250011319096 15.999 12 O 0.95782634214270 0.15226756946853 0.00749988680904 15.999 *13 O 0.31340873768721 0.96572974574455 0.56365146700675 15.999 14 O 0.68659126231279 0.46572974574455 0.93634853299325 15.999 15 O 0.68659126231279 0.03427025425545 0.43634853299325 15.999 16 O 0.31340873768721 0.53427025425545 0.06365146700675 15.999 *17 O 0.99848190269611 0.29239304013267 0.79449468404818 15.999 18 O 0.00151809730389 0.79239304013267 0.70550531595182 15.999 19 O 0.99848190269611 0.20760695986733 0.29449468404818 15.999 20 O 0.00151809730389 0.70760695986733 0.20550531595182 15.999 *21 P 0.99972563973619 0.14705857828582 0.85215099104582 30.974 22 P 0.00027436026381 0.64705857828582 0.64784900895418 30.974 23 P 0.00027436026381 0.85294142171418 0.14784900895418 30.974 24 P 0.99972563973619 0.35294142171418 0.35215099104582 30.974 *25 Hg 0.00000000000000 0.00000000000000 0.50000000000000 200.590 26 Hg 0.00000000000000 0.50000000000000 0.00000000000000 200.590 *27 Hg 0.68981489001443 0.38088233051963 0.69143927107468 200.590 28 Hg 0.31018510998557 0.88088233051963 0.80856072892532 200.590 29 Hg 0.31018510998557 0.61911766948037 0.30856072892532 200.590 30 Hg 0.68981489001443 0.11911766948037 0.19143927107468 200.590 *31 Hg 0.51291555431530 0.14930877672275 0.59206482021660 200.590 32 Hg 0.48708444568470 0.64930877672275 0.90793517978340 200.590 33 Hg 0.48708444568470 0.85069122327725 0.40793517978340 200.590 34 Hg 0.51291555431530 0.35069122327725 0.09206482021660 200.590 *35 Hg 0.26275886553861 0.36035362622299 0.64935447762932 200.590 36 Hg 0.73724113446139 0.86035362622299 0.85064552237068 200.590 37 Hg 0.73724113446139 0.63964637377701 0.35064552237068 200.590 38 Hg 0.26275886553861 0.13964637377701 0.14935447762932 200.590 -------------------------------- unit cell --------------------------------- Lattice vectors: a 6.279340410552781 0.000000000000000 0.000000000000000 b 0.000000000000000 10.080261530000000 0.000000000000000 c -0.899618177818180 0.000000000000000 9.641505237801001 Atomic positions (fractional): *1 O 0.18068955538088 0.56556037286335 0.73135892739118 15.999 > 1 2 O 0.81931044461912 0.06556037286335 0.76864107260882 15.999 > 2 3 O 0.81931044461912 0.43443962713665 0.26864107260882 15.999 > 3 4 O 0.18068955538088 0.93443962713665 0.23135892739118 15.999 > 4 *5 O 0.22629448567743 0.09243555626137 0.83564056019167 15.999 > 5 6 O 0.77370551432256 0.59243555626137 0.66435943980833 15.999 > 6 7 O 0.77370551432256 0.90756444373863 0.16435943980832 15.999 > 7 8 O 0.22629448567743 0.40756444373863 0.33564056019167 15.999 > 8 *9 O 0.95782634214270 0.34773243053147 0.50749988680904 15.999 > 9 10 O 0.04217365785730 0.84773243053147 0.99250011319096 15.999 > 10 11 O 0.04217365785730 0.65226756946853 0.49250011319096 15.999 > 11 12 O 0.95782634214270 0.15226756946853 0.00749988680904 15.999 > 12 *13 O 0.31340873768721 0.96572974574455 0.56365146700675 15.999 > 13 14 O 0.68659126231279 0.46572974574455 0.93634853299325 15.999 > 14 15 O 0.68659126231279 0.03427025425545 0.43634853299325 15.999 > 15 16 O 0.31340873768721 0.53427025425545 0.06365146700675 15.999 > 16 *17 O 0.99848190269611 0.29239304013267 0.79449468404818 15.999 > 17 18 O 0.00151809730389 0.79239304013267 0.70550531595182 15.999 > 18 19 O 0.99848190269611 0.20760695986733 0.29449468404818 15.999 > 19 20 O 0.00151809730389 0.70760695986733 0.20550531595182 15.999 > 20 *21 P 0.99972563973619 0.14705857828582 0.85215099104582 30.974 > 21 22 P 0.00027436026381 0.64705857828582 0.64784900895418 30.974 > 22 23 P 0.00027436026381 0.85294142171418 0.14784900895418 30.974 > 23 24 P 0.99972563973619 0.35294142171418 0.35215099104582 30.974 > 24 *25 Hg 0.00000000000000 0.00000000000000 0.50000000000000 200.590 > 25 26 Hg 0.00000000000000 0.50000000000000 0.00000000000000 200.590 > 26 *27 Hg 0.68981489001443 0.38088233051963 0.69143927107468 200.590 > 27 28 Hg 0.31018510998557 0.88088233051963 0.80856072892532 200.590 > 28 29 Hg 0.31018510998557 0.61911766948037 0.30856072892532 200.590 > 29 30 Hg 0.68981489001443 0.11911766948037 0.19143927107468 200.590 > 30 *31 Hg 0.51291555431530 0.14930877672275 0.59206482021660 200.590 > 31 32 Hg 0.48708444568470 0.64930877672275 0.90793517978340 200.590 > 32 33 Hg 0.48708444568470 0.85069122327725 0.40793517978340 200.590 > 33 34 Hg 0.51291555431530 0.35069122327725 0.09206482021660 200.590 > 34 *35 Hg 0.26275886553861 0.36035362622299 0.64935447762932 200.590 > 35 36 Hg 0.73724113446139 0.86035362622299 0.85064552237068 200.590 > 36 37 Hg 0.73724113446139 0.63964637377701 0.35064552237068 200.590 > 37 38 Hg 0.26275886553861 0.13964637377701 0.14935447762932 200.590 > 38 -------------------------------- super cell -------------------------------- Lattice vectors: a 12.558680821105561 0.000000000000000 0.000000000000000 b 0.000000000000000 10.080261530000000 0.000000000000000 c -0.899618177818180 0.000000000000000 9.641505237801001 Atomic positions (fractional): *1 O 0.09034477769044 0.56556037286335 0.73135892739118 15.999 > 1 2 O 0.59034477769044 0.56556037286335 0.73135892739118 15.999 > 1 3 O 0.40965522230956 0.06556037286335 0.76864107260882 15.999 > 2 4 O 0.90965522230956 0.06556037286335 0.76864107260882 15.999 > 2 5 O 0.40965522230956 0.43443962713665 0.26864107260882 15.999 > 3 6 O 0.90965522230956 0.43443962713665 0.26864107260882 15.999 > 3 7 O 0.09034477769044 0.93443962713665 0.23135892739118 15.999 > 4 8 O 0.59034477769044 0.93443962713665 0.23135892739118 15.999 > 4 *9 O 0.11314724283872 0.09243555626137 0.83564056019167 15.999 > 5 10 O 0.61314724283872 0.09243555626137 0.83564056019167 15.999 > 5 11 O 0.38685275716128 0.59243555626137 0.66435943980833 15.999 > 6 12 O 0.88685275716128 0.59243555626137 0.66435943980833 15.999 > 6 13 O 0.38685275716128 0.90756444373863 0.16435943980832 15.999 > 7 14 O 0.88685275716128 0.90756444373863 0.16435943980832 15.999 > 7 15 O 0.11314724283872 0.40756444373863 0.33564056019167 15.999 > 8 16 O 0.61314724283872 0.40756444373863 0.33564056019167 15.999 > 8 *17 O 0.47891317107135 0.34773243053147 0.50749988680904 15.999 > 9 18 O 0.97891317107135 0.34773243053147 0.50749988680904 15.999 > 9 19 O 0.02108682892865 0.84773243053147 0.99250011319096 15.999 > 10 20 O 0.52108682892865 0.84773243053147 0.99250011319096 15.999 > 10 21 O 0.02108682892865 0.65226756946853 0.49250011319096 15.999 > 11 22 O 0.52108682892865 0.65226756946853 0.49250011319096 15.999 > 11 23 O 0.47891317107135 0.15226756946853 0.00749988680904 15.999 > 12 24 O 0.97891317107135 0.15226756946853 0.00749988680904 15.999 > 12 *25 O 0.15670436884360 0.96572974574455 0.56365146700675 15.999 > 13 26 O 0.65670436884360 0.96572974574455 0.56365146700675 15.999 > 13 27 O 0.34329563115640 0.46572974574455 0.93634853299325 15.999 > 14 28 O 0.84329563115640 0.46572974574455 0.93634853299325 15.999 > 14 29 O 0.34329563115640 0.03427025425545 0.43634853299325 15.999 > 15 30 O 0.84329563115640 0.03427025425545 0.43634853299325 15.999 > 15 31 O 0.15670436884360 0.53427025425545 0.06365146700675 15.999 > 16 32 O 0.65670436884360 0.53427025425545 0.06365146700675 15.999 > 16 *33 O 0.49924095134806 0.29239304013267 0.79449468404818 15.999 > 17 34 O 0.99924095134806 0.29239304013267 0.79449468404818 15.999 > 17 35 O 0.00075904865194 0.79239304013267 0.70550531595182 15.999 > 18 36 O 0.50075904865194 0.79239304013267 0.70550531595182 15.999 > 18 37 O 0.49924095134806 0.20760695986733 0.29449468404818 15.999 > 19 38 O 0.99924095134806 0.20760695986733 0.29449468404818 15.999 > 19 39 O 0.00075904865194 0.70760695986733 0.20550531595182 15.999 > 20 40 O 0.50075904865194 0.70760695986733 0.20550531595182 15.999 > 20 *41 P 0.49986281986810 0.14705857828582 0.85215099104582 30.974 > 21 42 P 0.99986281986810 0.14705857828582 0.85215099104582 30.974 > 21 43 P 0.00013718013190 0.64705857828582 0.64784900895418 30.974 > 22 44 P 0.50013718013190 0.64705857828582 0.64784900895418 30.974 > 22 45 P 0.00013718013190 0.85294142171418 0.14784900895418 30.974 > 23 46 P 0.50013718013190 0.85294142171418 0.14784900895418 30.974 > 23 47 P 0.49986281986810 0.35294142171418 0.35215099104582 30.974 > 24 48 P 0.99986281986810 0.35294142171418 0.35215099104582 30.974 > 24 *49 Hg 0.00000000000000 0.00000000000000 0.50000000000000 200.590 > 25 50 Hg 0.50000000000000 0.00000000000000 0.50000000000000 200.590 > 25 51 Hg 0.00000000000000 0.50000000000000 0.00000000000000 200.590 > 26 52 Hg 0.50000000000000 0.50000000000000 0.00000000000000 200.590 > 26 *53 Hg 0.34490744500722 0.38088233051963 0.69143927107468 200.590 > 27 54 Hg 0.84490744500722 0.38088233051963 0.69143927107468 200.590 > 27 55 Hg 0.15509255499278 0.88088233051963 0.80856072892532 200.590 > 28 56 Hg 0.65509255499278 0.88088233051963 0.80856072892532 200.590 > 28 57 Hg 0.15509255499278 0.61911766948037 0.30856072892532 200.590 > 29 58 Hg 0.65509255499278 0.61911766948037 0.30856072892532 200.590 > 29 59 Hg 0.34490744500722 0.11911766948037 0.19143927107468 200.590 > 30 60 Hg 0.84490744500722 0.11911766948037 0.19143927107468 200.590 > 30 *61 Hg 0.25645777715765 0.14930877672275 0.59206482021660 200.590 > 31 62 Hg 0.75645777715765 0.14930877672275 0.59206482021660 200.590 > 31 63 Hg 0.24354222284235 0.64930877672275 0.90793517978340 200.590 > 32 64 Hg 0.74354222284235 0.64930877672275 0.90793517978340 200.590 > 32 65 Hg 0.24354222284235 0.85069122327725 0.40793517978340 200.590 > 33 66 Hg 0.74354222284235 0.85069122327725 0.40793517978340 200.590 > 33 67 Hg 0.25645777715765 0.35069122327725 0.09206482021660 200.590 > 34 68 Hg 0.75645777715765 0.35069122327725 0.09206482021660 200.590 > 34 *69 Hg 0.13137943276930 0.36035362622299 0.64935447762932 200.590 > 35 70 Hg 0.63137943276930 0.36035362622299 0.64935447762932 200.590 > 35 71 Hg 0.36862056723070 0.86035362622299 0.85064552237068 200.590 > 36 72 Hg 0.86862056723070 0.86035362622299 0.85064552237068 200.590 > 36 73 Hg 0.36862056723070 0.63964637377701 0.35064552237068 200.590 > 37 74 Hg 0.86862056723070 0.63964637377701 0.35064552237068 200.590 > 37 75 Hg 0.13137943276930 0.13964637377701 0.14935447762932 200.590 > 38 76 Hg 0.63137943276930 0.13964637377701 0.14935447762932 200.590 > 38 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 5.8922865 0.0000000 0.0842940 0.0000000 6.0156501 0.0000000 0.0842940 0.0000000 4.7376682 -------------------------- Born effective charges -------------------------- 1 O -2.2161464 0.8395637 -0.9318754 0.8283045 -2.5971971 0.1334206 -0.4528104 -0.0420096 -1.9111289 2 O -2.2161464 -0.8395637 -0.9318754 -0.8283045 -2.5971971 -0.1334206 -0.4528104 0.0420096 -1.9111289 3 O -2.2161464 0.8395637 -0.9318754 0.8283045 -2.5971971 0.1334206 -0.4528104 -0.0420096 -1.9111289 4 O -2.2161464 -0.8395637 -0.9318754 -0.8283045 -2.5971971 -0.1334206 -0.4528104 0.0420096 -1.9111289 5 O -2.5593367 0.8369006 0.2236750 1.2133306 -2.2681790 -0.4267586 0.3072753 -0.2218869 -1.5014618 6 O -2.5593367 -0.8369006 0.2236750 -1.2133306 -2.2681790 0.4267586 0.3072753 0.2218869 -1.5014618 7 O -2.5593367 0.8369006 0.2236750 1.2133306 -2.2681790 -0.4267586 0.3072753 -0.2218869 -1.5014618 8 O -2.5593367 -0.8369006 0.2236750 -1.2133306 -2.2681790 0.4267586 0.3072753 0.2218869 -1.5014618 9 O -1.9220554 0.0334330 -0.2358127 -0.1059078 -1.1373872 0.5184506 0.1143924 -0.0838616 -3.2551416 10 O -1.9220554 -0.0334330 -0.2358127 0.1059078 -1.1373872 -0.5184506 0.1143924 0.0838616 -3.2551416 11 O -1.9220554 0.0334330 -0.2358127 -0.1059078 -1.1373872 0.5184506 0.1143924 -0.0838616 -3.2551416 12 O -1.9220554 -0.0334330 -0.2358127 0.1059078 -1.1373872 -0.5184506 0.1143924 0.0838616 -3.2551416 13 O -2.6435880 -0.0560435 0.0433629 -0.0922053 -1.9171703 0.0293890 0.1326157 -0.3446438 -1.8259101 14 O -2.6435880 0.0560435 0.0433629 0.0922053 -1.9171703 -0.0293890 0.1326157 0.3446438 -1.8259101 15 O -2.6435880 -0.0560435 0.0433629 -0.0922053 -1.9171703 0.0293890 0.1326157 -0.3446438 -1.8259101 16 O -2.6435880 0.0560435 0.0433629 0.0922053 -1.9171703 -0.0293890 0.1326157 0.3446438 -1.8259101 17 O -2.3121043 0.2711183 -0.1905881 0.1541495 -3.0542447 0.5105772 0.1953912 0.9235024 -1.7962910 18 O -2.3121043 -0.2711183 -0.1905881 -0.1541495 -3.0542447 -0.5105772 0.1953912 -0.9235024 -1.7962910 19 O -2.3121043 -0.2711183 -0.1905881 -0.1541495 -3.0542447 -0.5105772 0.1953912 -0.9235024 -1.7962910 20 O -2.3121043 0.2711183 -0.1905881 0.1541495 -3.0542447 0.5105772 0.1953912 0.9235024 -1.7962910 21 P 3.4318001 0.1499642 1.1677129 -0.3584588 3.9911529 1.0416908 -0.3444488 -0.3917062 4.0549746 22 P 3.4318001 -0.1499642 1.1677129 0.3584588 3.9911529 -1.0416908 -0.3444488 0.3917062 4.0549746 23 P 3.4318001 0.1499642 1.1677129 -0.3584588 3.9911529 1.0416908 -0.3444488 -0.3917062 4.0549746 24 P 3.4318001 -0.1499642 1.1677129 0.3584588 3.9911529 -1.0416908 -0.3444488 0.3917062 4.0549746 25 Hg 3.1053065 -0.4405656 0.6762179 -0.2074119 0.9721581 -0.4937179 0.3431402 -0.3180332 1.4149749 26 Hg 3.1053065 0.4405656 0.6762179 0.2074119 0.9721581 0.4937179 0.3431402 0.3180332 1.4149749 27 Hg 2.3343659 0.3110062 -0.0264906 0.3231950 2.2213418 0.0839780 0.1097026 0.0597526 2.1461382 28 Hg 2.3343659 -0.3110062 -0.0264906 -0.3231950 2.2213418 -0.0839780 0.1097026 -0.0597526 2.1461382 29 Hg 2.3343659 0.3110062 -0.0264906 0.3231950 2.2213418 0.0839780 0.1097026 0.0597526 2.1461382 30 Hg 2.3343659 -0.3110062 -0.0264906 -0.3231950 2.2213418 -0.0839780 0.1097026 -0.0597526 2.1461382 31 Hg 1.8267300 0.0958885 -0.2726898 -0.0501390 2.3858480 0.2691670 -0.2434658 0.5933060 1.5695906 32 Hg 1.8267300 -0.0958885 -0.2726898 0.0501390 2.3858480 -0.2691670 -0.2434658 -0.5933060 1.5695906 33 Hg 1.8267300 0.0958885 -0.2726898 -0.0501390 2.3858480 0.2691670 -0.2434658 0.5933060 1.5695906 34 Hg 1.8267300 -0.0958885 -0.2726898 0.0501390 2.3858480 -0.2691670 -0.2434658 -0.5933060 1.5695906 35 Hg 2.5076815 -0.3298083 -0.1154030 -0.4898047 1.8897567 -0.2558392 0.0097777 0.0488834 1.8117426 36 Hg 2.5076815 0.3298083 -0.1154030 0.4898047 1.8897567 0.2558392 0.0097777 -0.0488834 1.8117426 37 Hg 2.5076815 -0.3298083 -0.1154030 -0.4898047 1.8897567 -0.2558392 0.0097777 0.0488834 1.8117426 38 Hg 2.5076815 0.3298083 -0.1154030 0.4898047 1.8897567 0.2558392 0.0097777 -0.0488834 1.8117426 ---------------------------------------------------------------------------- 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: 228/228 Permutation basis: 13110/13110 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 3372 Number of blocks in projector: 3372 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: 724 Use submatrix version of eigh solver. (1) Block: 500 / 724 (2) Block: 250 / 500 (2) 230 eigenvectors found. (2) Block: 500 / 500 (2) 232 eigenvectors found. (2) Complementary block size: 38 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 480 eigenvectors found. (1) Block: 724 / 724 (1) 204 eigenvectors found. (1) Complementary block size: 40 (1) Compute compressed projector. (1) Use standard solver. (1) 20 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 724 Use submatrix version of eigh solver. (1) Block: 500 / 724 (2) Block: 250 / 500 (2) 230 eigenvectors found. (2) Block: 500 / 500 (2) 232 eigenvectors found. (2) Complementary block size: 38 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 480 eigenvectors found. (1) Block: 724 / 724 (1) 204 eigenvectors found. (1) Complementary block size: 40 (1) Compute compressed projector. (1) Use standard solver. (1) 20 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 724 Use submatrix version of eigh solver. (1) Block: 500 / 724 (2) Block: 250 / 500 (2) 231 eigenvectors found. (2) Block: 500 / 500 (2) 233 eigenvectors found. (2) Complementary block size: 36 (2) Compute compressed projector. (2) Use standard solver. (2) 17 eigenvectors found. (1) 481 eigenvectors found. (1) Block: 724 / 724 (1) 213 eigenvectors found. (1) Complementary block size: 30 (1) Compute compressed projector. (1) Use standard solver. (1) 11 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 400 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 400 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 400 Use standard eigh solver. Tree of FC basis block matrices: - (3372, 3283), data: False |-- (400, 390), data: True |-- (400, 390), data: True |-- (400, 390), data: True |-- (724, 705), data: False |-- (724, 11), data: (724, 30) @ (30, 11) |-- (224, 213), data: True |-- (500, 481), data: False |-- (500, 17), data: (500, 36) @ (36, 17) |-- (250, 233), data: True |-- (250, 231), data: True |-- (724, 704), data: False |-- (724, 20), data: (724, 40) @ (40, 20) |-- (224, 204), data: True |-- (500, 480), data: False |-- (500, 18), data: (500, 38) @ (38, 18) |-- (250, 232), data: True |-- (250, 230), data: True |-- (724, 704), data: False |-- (724, 20), data: (724, 40) @ (40, 20) |-- (224, 204), data: True |-- (500, 480), data: False |-- (500, 18), data: (500, 38) @ (38, 18) |-- (250, 232), data: True |-- (250, 230), data: True ----- Solver_atoms: 1 -- 76 / 76 Time (Solver_compr_matrix_reshape): 0.002 Solver_block: 100 / 1200 - Time: 0.655 Solver_block: 200 / 1200 - Time: 0.551 Solver_block: 300 / 1200 - Time: 0.549 Solver_block: 400 / 1200 - Time: 0.555 Solver_block: 500 / 1200 - Time: 0.551 Solver_block: 600 / 1200 - Time: 0.554 Solver_block: 700 / 1200 - Time: 0.551 Solver_block: 800 / 1200 - Time: 0.552 Solver_block: 900 / 1200 - Time: 0.551 Solver_block: 1000 / 1200 - Time: 0.556 Solver_block: 1100 / 1200 - Time: 0.554 Solver_block: 1200 / 1200 - Time: 0.561 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 6.884 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (yy) 0.00000000 (yy) Permutation basis: 228/228 Permutation basis: 13110/13110 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 3372 Number of blocks in projector: 3372 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: 724 Use submatrix version of eigh solver. (1) Block: 500 / 724 (2) Block: 250 / 500 (2) 230 eigenvectors found. (2) Block: 500 / 500 (2) 232 eigenvectors found. (2) Complementary block size: 38 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 480 eigenvectors found. (1) Block: 724 / 724 (1) 204 eigenvectors found. (1) Complementary block size: 40 (1) Compute compressed projector. (1) Use standard solver. (1) 20 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 724 Use submatrix version of eigh solver. (1) Block: 500 / 724 (2) Block: 250 / 500 (2) 230 eigenvectors found. (2) Block: 500 / 500 (2) 232 eigenvectors found. (2) Complementary block size: 38 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 480 eigenvectors found. (1) Block: 724 / 724 (1) 204 eigenvectors found. (1) Complementary block size: 40 (1) Compute compressed projector. (1) Use standard solver. (1) 20 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 724 Use submatrix version of eigh solver. (1) Block: 500 / 724 (2) Block: 250 / 500 (2) 231 eigenvectors found. (2) Block: 500 / 500 (2) 233 eigenvectors found. (2) Complementary block size: 36 (2) Compute compressed projector. (2) Use standard solver. (2) 17 eigenvectors found. (1) 481 eigenvectors found. (1) Block: 724 / 724 (1) 213 eigenvectors found. (1) Complementary block size: 30 (1) Compute compressed projector. (1) Use standard solver. (1) 11 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 400 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 400 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 400 Use standard eigh solver. Tree of FC basis block matrices: - (3372, 3283), data: False |-- (400, 390), data: True |-- (400, 390), data: True |-- (400, 390), data: True |-- (724, 705), data: False |-- (724, 11), data: (724, 30) @ (30, 11) |-- (224, 213), data: True |-- (500, 481), data: False |-- (500, 17), data: (500, 36) @ (36, 17) |-- (250, 233), data: True |-- (250, 231), data: True |-- (724, 704), data: False |-- (724, 20), data: (724, 40) @ (40, 20) |-- (224, 204), data: True |-- (500, 480), data: False |-- (500, 18), data: (500, 38) @ (38, 18) |-- (250, 232), data: True |-- (250, 230), data: True |-- (724, 704), data: False |-- (724, 20), data: (724, 40) @ (40, 20) |-- (224, 204), data: True |-- (500, 480), data: False |-- (500, 18), data: (500, 38) @ (38, 18) |-- (250, 232), data: True |-- (250, 230), data: True Max drift after symmetrization by symfc projector: 0.00000000 (yy) 0.00000000 (yy) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 08:30:00]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 08:30:00]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 1 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.279340410552781 0.000000000000000 0.000000000000000 b 0.000000000000000 10.080261530000000 0.000000000000000 c -0.899618177818180 0.000000000000000 9.641505237801001 Atomic positions (fractional): 1 O 0.18068955538088 0.56556037286335 0.73135892739118 15.999 2 O 0.81931044461912 0.06556037286335 0.76864107260882 15.999 3 O 0.81931044461912 0.43443962713665 0.26864107260882 15.999 4 O 0.18068955538088 0.93443962713665 0.23135892739118 15.999 5 O 0.22629448567743 0.09243555626137 0.83564056019167 15.999 6 O 0.77370551432256 0.59243555626137 0.66435943980833 15.999 7 O 0.77370551432256 0.90756444373863 0.16435943980832 15.999 8 O 0.22629448567743 0.40756444373863 0.33564056019167 15.999 9 O 0.95782634214270 0.34773243053147 0.50749988680904 15.999 10 O 0.04217365785730 0.84773243053147 0.99250011319096 15.999 11 O 0.04217365785730 0.65226756946853 0.49250011319096 15.999 12 O 0.95782634214270 0.15226756946853 0.00749988680904 15.999 13 O 0.31340873768721 0.96572974574455 0.56365146700675 15.999 14 O 0.68659126231279 0.46572974574455 0.93634853299325 15.999 15 O 0.68659126231279 0.03427025425545 0.43634853299325 15.999 16 O 0.31340873768721 0.53427025425545 0.06365146700675 15.999 17 O 0.99848190269611 0.29239304013267 0.79449468404818 15.999 18 O 0.00151809730389 0.79239304013267 0.70550531595182 15.999 19 O 0.99848190269611 0.20760695986733 0.29449468404818 15.999 20 O 0.00151809730389 0.70760695986733 0.20550531595182 15.999 21 P 0.99972563973619 0.14705857828582 0.85215099104582 30.974 22 P 0.00027436026381 0.64705857828582 0.64784900895418 30.974 23 P 0.00027436026381 0.85294142171418 0.14784900895418 30.974 24 P 0.99972563973619 0.35294142171418 0.35215099104582 30.974 25 Hg 0.00000000000000 0.00000000000000 0.50000000000000 200.590 26 Hg 0.00000000000000 0.50000000000000 0.00000000000000 200.590 27 Hg 0.68981489001443 0.38088233051963 0.69143927107468 200.590 28 Hg 0.31018510998557 0.88088233051963 0.80856072892532 200.590 29 Hg 0.31018510998557 0.61911766948037 0.30856072892532 200.590 30 Hg 0.68981489001443 0.11911766948037 0.19143927107468 200.590 31 Hg 0.51291555431530 0.14930877672275 0.59206482021660 200.590 32 Hg 0.48708444568470 0.64930877672275 0.90793517978340 200.590 33 Hg 0.48708444568470 0.85069122327725 0.40793517978340 200.590 34 Hg 0.51291555431530 0.35069122327725 0.09206482021660 200.590 35 Hg 0.26275886553861 0.36035362622299 0.64935447762932 200.590 36 Hg 0.73724113446139 0.86035362622299 0.85064552237068 200.590 37 Hg 0.73724113446139 0.63964637377701 0.35064552237068 200.590 38 Hg 0.26275886553861 0.13964637377701 0.14935447762932 200.590 -------------------------------- supercell --------------------------------- Lattice vectors: a 12.558680821105561 0.000000000000000 0.000000000000000 b 0.000000000000000 10.080261530000000 0.000000000000000 c -0.899618177818180 0.000000000000000 9.641505237801001 Atomic positions (fractional): 1 O 0.09034477769044 0.56556037286335 0.73135892739118 15.999 > 1 2 O 0.59034477769044 0.56556037286335 0.73135892739118 15.999 > 1 3 O 0.40965522230956 0.06556037286335 0.76864107260882 15.999 > 3 4 O 0.90965522230956 0.06556037286335 0.76864107260882 15.999 > 3 5 O 0.40965522230956 0.43443962713665 0.26864107260882 15.999 > 5 6 O 0.90965522230956 0.43443962713665 0.26864107260882 15.999 > 5 7 O 0.09034477769044 0.93443962713665 0.23135892739118 15.999 > 7 8 O 0.59034477769044 0.93443962713665 0.23135892739118 15.999 > 7 9 O 0.11314724283872 0.09243555626137 0.83564056019167 15.999 > 9 10 O 0.61314724283872 0.09243555626137 0.83564056019167 15.999 > 9 11 O 0.38685275716128 0.59243555626137 0.66435943980833 15.999 > 11 12 O 0.88685275716128 0.59243555626137 0.66435943980833 15.999 > 11 13 O 0.38685275716128 0.90756444373863 0.16435943980832 15.999 > 13 14 O 0.88685275716128 0.90756444373863 0.16435943980832 15.999 > 13 15 O 0.11314724283872 0.40756444373863 0.33564056019167 15.999 > 15 16 O 0.61314724283872 0.40756444373863 0.33564056019167 15.999 > 15 17 O 0.47891317107135 0.34773243053147 0.50749988680904 15.999 > 17 18 O 0.97891317107135 0.34773243053147 0.50749988680904 15.999 > 17 19 O 0.02108682892865 0.84773243053147 0.99250011319096 15.999 > 19 20 O 0.52108682892865 0.84773243053147 0.99250011319096 15.999 > 19 21 O 0.02108682892865 0.65226756946853 0.49250011319096 15.999 > 21 22 O 0.52108682892865 0.65226756946853 0.49250011319096 15.999 > 21 23 O 0.47891317107135 0.15226756946853 0.00749988680904 15.999 > 23 24 O 0.97891317107135 0.15226756946853 0.00749988680904 15.999 > 23 25 O 0.15670436884360 0.96572974574455 0.56365146700675 15.999 > 25 26 O 0.65670436884360 0.96572974574455 0.56365146700675 15.999 > 25 27 O 0.34329563115640 0.46572974574455 0.93634853299325 15.999 > 27 28 O 0.84329563115640 0.46572974574455 0.93634853299325 15.999 > 27 29 O 0.34329563115640 0.03427025425545 0.43634853299325 15.999 > 29 30 O 0.84329563115640 0.03427025425545 0.43634853299325 15.999 > 29 31 O 0.15670436884360 0.53427025425545 0.06365146700675 15.999 > 31 32 O 0.65670436884360 0.53427025425545 0.06365146700675 15.999 > 31 33 O 0.49924095134806 0.29239304013267 0.79449468404818 15.999 > 33 34 O 0.99924095134806 0.29239304013267 0.79449468404818 15.999 > 33 35 O 0.00075904865194 0.79239304013267 0.70550531595182 15.999 > 35 36 O 0.50075904865194 0.79239304013267 0.70550531595182 15.999 > 35 37 O 0.49924095134806 0.20760695986733 0.29449468404818 15.999 > 37 38 O 0.99924095134806 0.20760695986733 0.29449468404818 15.999 > 37 39 O 0.00075904865194 0.70760695986733 0.20550531595182 15.999 > 39 40 O 0.50075904865194 0.70760695986733 0.20550531595182 15.999 > 39 41 P 0.49986281986810 0.14705857828582 0.85215099104582 30.974 > 41 42 P 0.99986281986810 0.14705857828582 0.85215099104582 30.974 > 41 43 P 0.00013718013190 0.64705857828582 0.64784900895418 30.974 > 43 44 P 0.50013718013190 0.64705857828582 0.64784900895418 30.974 > 43 45 P 0.00013718013190 0.85294142171418 0.14784900895418 30.974 > 45 46 P 0.50013718013190 0.85294142171418 0.14784900895418 30.974 > 45 47 P 0.49986281986810 0.35294142171418 0.35215099104582 30.974 > 47 48 P 0.99986281986810 0.35294142171418 0.35215099104582 30.974 > 47 49 Hg 0.00000000000000 0.00000000000000 0.50000000000000 200.590 > 49 50 Hg 0.50000000000000 0.00000000000000 0.50000000000000 200.590 > 49 51 Hg 0.00000000000000 0.50000000000000 0.00000000000000 200.590 > 51 52 Hg 0.50000000000000 0.50000000000000 0.00000000000000 200.590 > 51 53 Hg 0.34490744500722 0.38088233051963 0.69143927107468 200.590 > 53 54 Hg 0.84490744500722 0.38088233051963 0.69143927107468 200.590 > 53 55 Hg 0.15509255499278 0.88088233051963 0.80856072892532 200.590 > 55 56 Hg 0.65509255499278 0.88088233051963 0.80856072892532 200.590 > 55 57 Hg 0.15509255499278 0.61911766948037 0.30856072892532 200.590 > 57 58 Hg 0.65509255499278 0.61911766948037 0.30856072892532 200.590 > 57 59 Hg 0.34490744500722 0.11911766948037 0.19143927107468 200.590 > 59 60 Hg 0.84490744500722 0.11911766948037 0.19143927107468 200.590 > 59 61 Hg 0.25645777715765 0.14930877672275 0.59206482021660 200.590 > 61 62 Hg 0.75645777715765 0.14930877672275 0.59206482021660 200.590 > 61 63 Hg 0.24354222284235 0.64930877672275 0.90793517978340 200.590 > 63 64 Hg 0.74354222284235 0.64930877672275 0.90793517978340 200.590 > 63 65 Hg 0.24354222284235 0.85069122327725 0.40793517978340 200.590 > 65 66 Hg 0.74354222284235 0.85069122327725 0.40793517978340 200.590 > 65 67 Hg 0.25645777715765 0.35069122327725 0.09206482021660 200.590 > 67 68 Hg 0.75645777715765 0.35069122327725 0.09206482021660 200.590 > 67 69 Hg 0.13137943276930 0.36035362622299 0.64935447762932 200.590 > 69 70 Hg 0.63137943276930 0.36035362622299 0.64935447762932 200.590 > 69 71 Hg 0.36862056723070 0.86035362622299 0.85064552237068 200.590 > 71 72 Hg 0.86862056723070 0.86035362622299 0.85064552237068 200.590 > 71 73 Hg 0.36862056723070 0.63964637377701 0.35064552237068 200.590 > 73 74 Hg 0.86862056723070 0.63964637377701 0.35064552237068 200.590 > 73 75 Hg 0.13137943276930 0.13964637377701 0.14935447762932 200.590 > 75 76 Hg 0.63137943276930 0.13964637377701 0.14935447762932 200.590 > 75 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 5.8922865 0.0000000 0.0842940 0.0000000 6.0156501 0.0000000 0.0842940 0.0000000 4.7376682 -------------------------- Born effective charges -------------------------- 1 O -2.2161464 0.8395637 -0.9318754 0.8283045 -2.5971971 0.1334206 -0.4528104 -0.0420096 -1.9111289 2 O -2.2161464 -0.8395637 -0.9318754 -0.8283045 -2.5971971 -0.1334206 -0.4528104 0.0420096 -1.9111289 3 O -2.2161464 0.8395637 -0.9318754 0.8283045 -2.5971971 0.1334206 -0.4528104 -0.0420096 -1.9111289 4 O -2.2161464 -0.8395637 -0.9318754 -0.8283045 -2.5971971 -0.1334206 -0.4528104 0.0420096 -1.9111289 5 O -2.5593367 0.8369006 0.2236750 1.2133306 -2.2681790 -0.4267586 0.3072753 -0.2218869 -1.5014618 6 O -2.5593367 -0.8369006 0.2236750 -1.2133306 -2.2681790 0.4267586 0.3072753 0.2218869 -1.5014618 7 O -2.5593367 0.8369006 0.2236750 1.2133306 -2.2681790 -0.4267586 0.3072753 -0.2218869 -1.5014618 8 O -2.5593367 -0.8369006 0.2236750 -1.2133306 -2.2681790 0.4267586 0.3072753 0.2218869 -1.5014618 9 O -1.9220554 0.0334330 -0.2358127 -0.1059078 -1.1373872 0.5184506 0.1143924 -0.0838616 -3.2551416 10 O -1.9220554 -0.0334330 -0.2358127 0.1059078 -1.1373872 -0.5184506 0.1143924 0.0838616 -3.2551416 11 O -1.9220554 0.0334330 -0.2358127 -0.1059078 -1.1373872 0.5184506 0.1143924 -0.0838616 -3.2551416 12 O -1.9220554 -0.0334330 -0.2358127 0.1059078 -1.1373872 -0.5184506 0.1143924 0.0838616 -3.2551416 13 O -2.6435880 -0.0560435 0.0433629 -0.0922053 -1.9171703 0.0293890 0.1326157 -0.3446438 -1.8259101 14 O -2.6435880 0.0560435 0.0433629 0.0922053 -1.9171703 -0.0293890 0.1326157 0.3446438 -1.8259101 15 O -2.6435880 -0.0560435 0.0433629 -0.0922053 -1.9171703 0.0293890 0.1326157 -0.3446438 -1.8259101 16 O -2.6435880 0.0560435 0.0433629 0.0922053 -1.9171703 -0.0293890 0.1326157 0.3446438 -1.8259101 17 O -2.3121043 0.2711183 -0.1905881 0.1541495 -3.0542447 0.5105772 0.1953912 0.9235024 -1.7962910 18 O -2.3121043 -0.2711183 -0.1905881 -0.1541495 -3.0542447 -0.5105772 0.1953912 -0.9235024 -1.7962910 19 O -2.3121043 -0.2711183 -0.1905881 -0.1541495 -3.0542447 -0.5105772 0.1953912 -0.9235024 -1.7962910 20 O -2.3121043 0.2711183 -0.1905881 0.1541495 -3.0542447 0.5105772 0.1953912 0.9235024 -1.7962910 21 P 3.4318001 0.1499642 1.1677129 -0.3584588 3.9911529 1.0416908 -0.3444488 -0.3917062 4.0549746 22 P 3.4318001 -0.1499642 1.1677129 0.3584588 3.9911529 -1.0416908 -0.3444488 0.3917062 4.0549746 23 P 3.4318001 0.1499642 1.1677129 -0.3584588 3.9911529 1.0416908 -0.3444488 -0.3917062 4.0549746 24 P 3.4318001 -0.1499642 1.1677129 0.3584588 3.9911529 -1.0416908 -0.3444488 0.3917062 4.0549746 25 Hg 3.1053065 -0.4405656 0.6762179 -0.2074119 0.9721581 -0.4937179 0.3431402 -0.3180332 1.4149749 26 Hg 3.1053065 0.4405656 0.6762179 0.2074119 0.9721581 0.4937179 0.3431402 0.3180332 1.4149749 27 Hg 2.3343659 0.3110062 -0.0264906 0.3231950 2.2213418 0.0839780 0.1097026 0.0597526 2.1461382 28 Hg 2.3343659 -0.3110062 -0.0264906 -0.3231950 2.2213418 -0.0839780 0.1097026 -0.0597526 2.1461382 29 Hg 2.3343659 0.3110062 -0.0264906 0.3231950 2.2213418 0.0839780 0.1097026 0.0597526 2.1461382 30 Hg 2.3343659 -0.3110062 -0.0264906 -0.3231950 2.2213418 -0.0839780 0.1097026 -0.0597526 2.1461382 31 Hg 1.8267300 0.0958885 -0.2726898 -0.0501390 2.3858480 0.2691670 -0.2434658 0.5933060 1.5695906 32 Hg 1.8267300 -0.0958885 -0.2726898 0.0501390 2.3858480 -0.2691670 -0.2434658 -0.5933060 1.5695906 33 Hg 1.8267300 0.0958885 -0.2726898 -0.0501390 2.3858480 0.2691670 -0.2434658 0.5933060 1.5695906 34 Hg 1.8267300 -0.0958885 -0.2726898 0.0501390 2.3858480 -0.2691670 -0.2434658 -0.5933060 1.5695906 35 Hg 2.5076815 -0.3298083 -0.1154030 -0.4898047 1.8897567 -0.2558392 0.0097777 0.0488834 1.8117426 36 Hg 2.5076815 0.3298083 -0.1154030 0.4898047 1.8897567 0.2558392 0.0097777 -0.0488834 1.8117426 37 Hg 2.5076815 -0.3298083 -0.1154030 -0.4898047 1.8897567 -0.2558392 0.0097777 0.0488834 1.8117426 38 Hg 2.5076815 0.3298083 -0.1154030 0.4898047 1.8897567 0.2558392 0.0097777 -0.0488834 1.8117426 ---------------------------------------------------------------------------- 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] [-0.0009 0.0000 0.0100] [ 0.0009 0.0000 -0.0100] Computing fc3[ 9, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0009 0.0000 0.0100] [ 0.0009 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] [-0.0009 0.0000 0.0100] [ 0.0009 0.0000 -0.0100] Computing fc3[ 25, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0009 0.0000 0.0100] [ 0.0009 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] [-0.0009 0.0000 0.0100] [ 0.0009 0.0000 -0.0100] Computing fc3[ 41, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0009 0.0000 0.0100] [ 0.0009 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] [-0.0009 0.0000 0.0100] [ 0.0009 0.0000 -0.0100] Computing fc3[ 53, 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] [-0.0009 0.0000 0.0100] [ 0.0009 0.0000 -0.0100] Computing fc3[ 61, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0009 0.0000 0.0100] [ 0.0009 0.0000 -0.0100] Computing fc3[ 69, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0009 0.0000 0.0100] [ 0.0009 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 (yyy) 0.00000001 (yyy) 0.00000001 (yyy) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000000 (xz) 0.00000000 (xz) 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 08:30:24]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 08:30:25]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 1 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.279340410552781 0.000000000000000 0.000000000000000 b 0.000000000000000 10.080261530000000 0.000000000000000 c -0.899618177818180 0.000000000000000 9.641505237801001 Atomic positions (fractional): 1 O 0.18068955538088 0.56556037286335 0.73135892739118 15.999 2 O 0.81931044461912 0.06556037286335 0.76864107260882 15.999 3 O 0.81931044461912 0.43443962713665 0.26864107260882 15.999 4 O 0.18068955538088 0.93443962713665 0.23135892739118 15.999 5 O 0.22629448567743 0.09243555626137 0.83564056019167 15.999 6 O 0.77370551432256 0.59243555626137 0.66435943980833 15.999 7 O 0.77370551432256 0.90756444373863 0.16435943980832 15.999 8 O 0.22629448567743 0.40756444373863 0.33564056019167 15.999 9 O 0.95782634214270 0.34773243053147 0.50749988680904 15.999 10 O 0.04217365785730 0.84773243053147 0.99250011319096 15.999 11 O 0.04217365785730 0.65226756946853 0.49250011319096 15.999 12 O 0.95782634214270 0.15226756946853 0.00749988680904 15.999 13 O 0.31340873768721 0.96572974574455 0.56365146700675 15.999 14 O 0.68659126231279 0.46572974574455 0.93634853299325 15.999 15 O 0.68659126231279 0.03427025425545 0.43634853299325 15.999 16 O 0.31340873768721 0.53427025425545 0.06365146700675 15.999 17 O 0.99848190269611 0.29239304013267 0.79449468404818 15.999 18 O 0.00151809730389 0.79239304013267 0.70550531595182 15.999 19 O 0.99848190269611 0.20760695986733 0.29449468404818 15.999 20 O 0.00151809730389 0.70760695986733 0.20550531595182 15.999 21 P 0.99972563973619 0.14705857828582 0.85215099104582 30.974 22 P 0.00027436026381 0.64705857828582 0.64784900895418 30.974 23 P 0.00027436026381 0.85294142171418 0.14784900895418 30.974 24 P 0.99972563973619 0.35294142171418 0.35215099104582 30.974 25 Hg 0.00000000000000 0.00000000000000 0.50000000000000 200.590 26 Hg 0.00000000000000 0.50000000000000 0.00000000000000 200.590 27 Hg 0.68981489001443 0.38088233051963 0.69143927107468 200.590 28 Hg 0.31018510998557 0.88088233051963 0.80856072892532 200.590 29 Hg 0.31018510998557 0.61911766948037 0.30856072892532 200.590 30 Hg 0.68981489001443 0.11911766948037 0.19143927107468 200.590 31 Hg 0.51291555431530 0.14930877672275 0.59206482021660 200.590 32 Hg 0.48708444568470 0.64930877672275 0.90793517978340 200.590 33 Hg 0.48708444568470 0.85069122327725 0.40793517978340 200.590 34 Hg 0.51291555431530 0.35069122327725 0.09206482021660 200.590 35 Hg 0.26275886553861 0.36035362622299 0.64935447762932 200.590 36 Hg 0.73724113446139 0.86035362622299 0.85064552237068 200.590 37 Hg 0.73724113446139 0.63964637377701 0.35064552237068 200.590 38 Hg 0.26275886553861 0.13964637377701 0.14935447762932 200.590 -------------------------------- supercell --------------------------------- Lattice vectors: a 12.558680821105561 0.000000000000000 0.000000000000000 b 0.000000000000000 10.080261530000000 0.000000000000000 c -0.899618177818180 0.000000000000000 9.641505237801001 Atomic positions (fractional): 1 O 0.09034477769044 0.56556037286335 0.73135892739118 15.999 > 1 2 O 0.59034477769044 0.56556037286335 0.73135892739118 15.999 > 1 3 O 0.40965522230956 0.06556037286335 0.76864107260882 15.999 > 3 4 O 0.90965522230956 0.06556037286335 0.76864107260882 15.999 > 3 5 O 0.40965522230956 0.43443962713665 0.26864107260882 15.999 > 5 6 O 0.90965522230956 0.43443962713665 0.26864107260882 15.999 > 5 7 O 0.09034477769044 0.93443962713665 0.23135892739118 15.999 > 7 8 O 0.59034477769044 0.93443962713665 0.23135892739118 15.999 > 7 9 O 0.11314724283872 0.09243555626137 0.83564056019167 15.999 > 9 10 O 0.61314724283872 0.09243555626137 0.83564056019167 15.999 > 9 11 O 0.38685275716128 0.59243555626137 0.66435943980833 15.999 > 11 12 O 0.88685275716128 0.59243555626137 0.66435943980833 15.999 > 11 13 O 0.38685275716128 0.90756444373863 0.16435943980832 15.999 > 13 14 O 0.88685275716128 0.90756444373863 0.16435943980832 15.999 > 13 15 O 0.11314724283872 0.40756444373863 0.33564056019167 15.999 > 15 16 O 0.61314724283872 0.40756444373863 0.33564056019167 15.999 > 15 17 O 0.47891317107135 0.34773243053147 0.50749988680904 15.999 > 17 18 O 0.97891317107135 0.34773243053147 0.50749988680904 15.999 > 17 19 O 0.02108682892865 0.84773243053147 0.99250011319096 15.999 > 19 20 O 0.52108682892865 0.84773243053147 0.99250011319096 15.999 > 19 21 O 0.02108682892865 0.65226756946853 0.49250011319096 15.999 > 21 22 O 0.52108682892865 0.65226756946853 0.49250011319096 15.999 > 21 23 O 0.47891317107135 0.15226756946853 0.00749988680904 15.999 > 23 24 O 0.97891317107135 0.15226756946853 0.00749988680904 15.999 > 23 25 O 0.15670436884360 0.96572974574455 0.56365146700675 15.999 > 25 26 O 0.65670436884360 0.96572974574455 0.56365146700675 15.999 > 25 27 O 0.34329563115640 0.46572974574455 0.93634853299325 15.999 > 27 28 O 0.84329563115640 0.46572974574455 0.93634853299325 15.999 > 27 29 O 0.34329563115640 0.03427025425545 0.43634853299325 15.999 > 29 30 O 0.84329563115640 0.03427025425545 0.43634853299325 15.999 > 29 31 O 0.15670436884360 0.53427025425545 0.06365146700675 15.999 > 31 32 O 0.65670436884360 0.53427025425545 0.06365146700675 15.999 > 31 33 O 0.49924095134806 0.29239304013267 0.79449468404818 15.999 > 33 34 O 0.99924095134806 0.29239304013267 0.79449468404818 15.999 > 33 35 O 0.00075904865194 0.79239304013267 0.70550531595182 15.999 > 35 36 O 0.50075904865194 0.79239304013267 0.70550531595182 15.999 > 35 37 O 0.49924095134806 0.20760695986733 0.29449468404818 15.999 > 37 38 O 0.99924095134806 0.20760695986733 0.29449468404818 15.999 > 37 39 O 0.00075904865194 0.70760695986733 0.20550531595182 15.999 > 39 40 O 0.50075904865194 0.70760695986733 0.20550531595182 15.999 > 39 41 P 0.49986281986810 0.14705857828582 0.85215099104582 30.974 > 41 42 P 0.99986281986810 0.14705857828582 0.85215099104582 30.974 > 41 43 P 0.00013718013190 0.64705857828582 0.64784900895418 30.974 > 43 44 P 0.50013718013190 0.64705857828582 0.64784900895418 30.974 > 43 45 P 0.00013718013190 0.85294142171418 0.14784900895418 30.974 > 45 46 P 0.50013718013190 0.85294142171418 0.14784900895418 30.974 > 45 47 P 0.49986281986810 0.35294142171418 0.35215099104582 30.974 > 47 48 P 0.99986281986810 0.35294142171418 0.35215099104582 30.974 > 47 49 Hg 0.00000000000000 0.00000000000000 0.50000000000000 200.590 > 49 50 Hg 0.50000000000000 0.00000000000000 0.50000000000000 200.590 > 49 51 Hg 0.00000000000000 0.50000000000000 0.00000000000000 200.590 > 51 52 Hg 0.50000000000000 0.50000000000000 0.00000000000000 200.590 > 51 53 Hg 0.34490744500722 0.38088233051963 0.69143927107468 200.590 > 53 54 Hg 0.84490744500722 0.38088233051963 0.69143927107468 200.590 > 53 55 Hg 0.15509255499278 0.88088233051963 0.80856072892532 200.590 > 55 56 Hg 0.65509255499278 0.88088233051963 0.80856072892532 200.590 > 55 57 Hg 0.15509255499278 0.61911766948037 0.30856072892532 200.590 > 57 58 Hg 0.65509255499278 0.61911766948037 0.30856072892532 200.590 > 57 59 Hg 0.34490744500722 0.11911766948037 0.19143927107468 200.590 > 59 60 Hg 0.84490744500722 0.11911766948037 0.19143927107468 200.590 > 59 61 Hg 0.25645777715765 0.14930877672275 0.59206482021660 200.590 > 61 62 Hg 0.75645777715765 0.14930877672275 0.59206482021660 200.590 > 61 63 Hg 0.24354222284235 0.64930877672275 0.90793517978340 200.590 > 63 64 Hg 0.74354222284235 0.64930877672275 0.90793517978340 200.590 > 63 65 Hg 0.24354222284235 0.85069122327725 0.40793517978340 200.590 > 65 66 Hg 0.74354222284235 0.85069122327725 0.40793517978340 200.590 > 65 67 Hg 0.25645777715765 0.35069122327725 0.09206482021660 200.590 > 67 68 Hg 0.75645777715765 0.35069122327725 0.09206482021660 200.590 > 67 69 Hg 0.13137943276930 0.36035362622299 0.64935447762932 200.590 > 69 70 Hg 0.63137943276930 0.36035362622299 0.64935447762932 200.590 > 69 71 Hg 0.36862056723070 0.86035362622299 0.85064552237068 200.590 > 71 72 Hg 0.86862056723070 0.86035362622299 0.85064552237068 200.590 > 71 73 Hg 0.36862056723070 0.63964637377701 0.35064552237068 200.590 > 73 74 Hg 0.86862056723070 0.63964637377701 0.35064552237068 200.590 > 73 75 Hg 0.13137943276930 0.13964637377701 0.14935447762932 200.590 > 75 76 Hg 0.63137943276930 0.13964637377701 0.14935447762932 200.590 > 75 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 5.8922865 0.0000000 0.0842940 0.0000000 6.0156501 0.0000000 0.0842940 0.0000000 4.7376682 -------------------------- Born effective charges -------------------------- 1 O -2.2161464 0.8395637 -0.9318754 0.8283045 -2.5971971 0.1334206 -0.4528104 -0.0420096 -1.9111289 2 O -2.2161464 -0.8395637 -0.9318754 -0.8283045 -2.5971971 -0.1334206 -0.4528104 0.0420096 -1.9111289 3 O -2.2161464 0.8395637 -0.9318754 0.8283045 -2.5971971 0.1334206 -0.4528104 -0.0420096 -1.9111289 4 O -2.2161464 -0.8395637 -0.9318754 -0.8283045 -2.5971971 -0.1334206 -0.4528104 0.0420096 -1.9111289 5 O -2.5593367 0.8369006 0.2236750 1.2133306 -2.2681790 -0.4267586 0.3072753 -0.2218869 -1.5014618 6 O -2.5593367 -0.8369006 0.2236750 -1.2133306 -2.2681790 0.4267586 0.3072753 0.2218869 -1.5014618 7 O -2.5593367 0.8369006 0.2236750 1.2133306 -2.2681790 -0.4267586 0.3072753 -0.2218869 -1.5014618 8 O -2.5593367 -0.8369006 0.2236750 -1.2133306 -2.2681790 0.4267586 0.3072753 0.2218869 -1.5014618 9 O -1.9220554 0.0334330 -0.2358127 -0.1059078 -1.1373872 0.5184506 0.1143924 -0.0838616 -3.2551416 10 O -1.9220554 -0.0334330 -0.2358127 0.1059078 -1.1373872 -0.5184506 0.1143924 0.0838616 -3.2551416 11 O -1.9220554 0.0334330 -0.2358127 -0.1059078 -1.1373872 0.5184506 0.1143924 -0.0838616 -3.2551416 12 O -1.9220554 -0.0334330 -0.2358127 0.1059078 -1.1373872 -0.5184506 0.1143924 0.0838616 -3.2551416 13 O -2.6435880 -0.0560435 0.0433629 -0.0922053 -1.9171703 0.0293890 0.1326157 -0.3446438 -1.8259101 14 O -2.6435880 0.0560435 0.0433629 0.0922053 -1.9171703 -0.0293890 0.1326157 0.3446438 -1.8259101 15 O -2.6435880 -0.0560435 0.0433629 -0.0922053 -1.9171703 0.0293890 0.1326157 -0.3446438 -1.8259101 16 O -2.6435880 0.0560435 0.0433629 0.0922053 -1.9171703 -0.0293890 0.1326157 0.3446438 -1.8259101 17 O -2.3121043 0.2711183 -0.1905881 0.1541495 -3.0542447 0.5105772 0.1953912 0.9235024 -1.7962910 18 O -2.3121043 -0.2711183 -0.1905881 -0.1541495 -3.0542447 -0.5105772 0.1953912 -0.9235024 -1.7962910 19 O -2.3121043 -0.2711183 -0.1905881 -0.1541495 -3.0542447 -0.5105772 0.1953912 -0.9235024 -1.7962910 20 O -2.3121043 0.2711183 -0.1905881 0.1541495 -3.0542447 0.5105772 0.1953912 0.9235024 -1.7962910 21 P 3.4318001 0.1499642 1.1677129 -0.3584588 3.9911529 1.0416908 -0.3444488 -0.3917062 4.0549746 22 P 3.4318001 -0.1499642 1.1677129 0.3584588 3.9911529 -1.0416908 -0.3444488 0.3917062 4.0549746 23 P 3.4318001 0.1499642 1.1677129 -0.3584588 3.9911529 1.0416908 -0.3444488 -0.3917062 4.0549746 24 P 3.4318001 -0.1499642 1.1677129 0.3584588 3.9911529 -1.0416908 -0.3444488 0.3917062 4.0549746 25 Hg 3.1053065 -0.4405656 0.6762179 -0.2074119 0.9721581 -0.4937179 0.3431402 -0.3180332 1.4149749 26 Hg 3.1053065 0.4405656 0.6762179 0.2074119 0.9721581 0.4937179 0.3431402 0.3180332 1.4149749 27 Hg 2.3343659 0.3110062 -0.0264906 0.3231950 2.2213418 0.0839780 0.1097026 0.0597526 2.1461382 28 Hg 2.3343659 -0.3110062 -0.0264906 -0.3231950 2.2213418 -0.0839780 0.1097026 -0.0597526 2.1461382 29 Hg 2.3343659 0.3110062 -0.0264906 0.3231950 2.2213418 0.0839780 0.1097026 0.0597526 2.1461382 30 Hg 2.3343659 -0.3110062 -0.0264906 -0.3231950 2.2213418 -0.0839780 0.1097026 -0.0597526 2.1461382 31 Hg 1.8267300 0.0958885 -0.2726898 -0.0501390 2.3858480 0.2691670 -0.2434658 0.5933060 1.5695906 32 Hg 1.8267300 -0.0958885 -0.2726898 0.0501390 2.3858480 -0.2691670 -0.2434658 -0.5933060 1.5695906 33 Hg 1.8267300 0.0958885 -0.2726898 -0.0501390 2.3858480 0.2691670 -0.2434658 0.5933060 1.5695906 34 Hg 1.8267300 -0.0958885 -0.2726898 0.0501390 2.3858480 -0.2691670 -0.2434658 -0.5933060 1.5695906 35 Hg 2.5076815 -0.3298083 -0.1154030 -0.4898047 1.8897567 -0.2558392 0.0097777 0.0488834 1.8117426 36 Hg 2.5076815 0.3298083 -0.1154030 0.4898047 1.8897567 0.2558392 0.0097777 -0.0488834 1.8117426 37 Hg 2.5076815 -0.3298083 -0.1154030 -0.4898047 1.8897567 -0.2558392 0.0097777 0.0488834 1.8117426 38 Hg 2.5076815 0.3298083 -0.1154030 0.4898047 1.8897567 0.2558392 0.0097777 -0.0488834 1.8117426 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000001 (yyy) 0.00000001 (yyy) 0.00000001 (yyy) Max drift of fc2: 0.00000000 (yy) 0.00000000 (yy) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 8 5 5 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.49, Number of G-points: 289, Lambda: 0.12 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/63) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.534 ( 0.000 0.000 0.000) 0.000 0.910 ( 0.000 0.000 0.000) 0.000 0.932 ( 0.000 0.000 0.000) 0.000 0.933 ( 0.000 0.000 0.000) 0.000 0.956 ( 0.000 0.000 0.000) 0.000 1.023 ( 0.000 0.000 0.000) 0.000 1.068 ( 0.000 0.000 0.000) 0.000 1.180 ( 0.000 0.000 0.000) 0.000 1.236 ( 0.000 0.000 0.000) 0.000 1.265 ( 0.000 0.000 0.000) 0.000 1.298 ( 0.000 0.000 0.000) 0.000 1.338 ( 0.000 0.000 0.000) 0.000 1.348 ( 0.000 0.000 0.000) 0.000 1.423 ( 0.000 0.000 0.000) 0.000 1.519 ( 0.000 0.000 0.000) 0.000 1.520 ( 0.000 0.000 0.000) 0.000 1.582 ( 0.000 0.000 0.000) 0.000 1.701 ( 0.000 0.000 0.000) 0.000 1.821 ( 0.000 0.000 0.000) 0.000 1.858 ( 0.000 0.000 0.000) 0.000 1.896 ( 0.000 0.000 0.000) 0.000 2.085 ( 0.000 0.000 0.000) 0.000 2.125 ( 0.000 0.000 0.000) 0.000 2.192 ( 0.000 0.000 0.000) 0.000 2.348 ( 0.000 0.000 0.000) 0.000 2.544 ( 0.000 0.000 0.000) 0.000 2.807 ( 0.000 0.000 0.000) 0.000 2.919 ( 0.000 0.000 0.000) 0.000 2.982 ( 0.000 0.000 0.000) 0.000 3.042 ( 0.000 0.000 0.000) 0.000 3.163 ( 0.000 0.000 0.000) 0.000 3.185 ( 0.000 0.000 0.000) 0.000 3.256 ( 0.000 0.000 0.000) 0.000 3.472 ( 0.000 0.000 0.000) 0.000 3.550 ( 0.000 0.000 0.000) 0.000 3.573 ( 0.000 0.000 0.000) 0.000 3.592 ( 0.000 0.000 0.000) 0.000 3.684 ( 0.000 0.000 0.000) 0.000 3.735 ( 0.000 0.000 0.000) 0.000 3.829 ( 0.000 0.000 0.000) 0.000 3.946 ( 0.000 0.000 0.000) 0.000 3.969 ( 0.000 0.000 0.000) 0.000 4.157 ( 0.000 0.000 0.000) 0.000 4.166 ( 0.000 0.000 0.000) 0.000 4.424 ( 0.000 0.000 0.000) 0.000 4.732 ( 0.000 0.000 0.000) 0.000 4.860 ( 0.000 0.000 0.000) 0.000 4.939 ( 0.000 0.000 0.000) 0.000 4.960 ( 0.000 0.000 0.000) 0.000 5.302 ( 0.000 0.000 0.000) 0.000 5.598 ( 0.000 0.000 0.000) 0.000 5.694 ( 0.000 0.000 0.000) 0.000 5.927 ( 0.000 0.000 0.000) 0.000 6.222 ( 0.000 0.000 0.000) 0.000 6.294 ( 0.000 0.000 0.000) 0.000 6.784 ( 0.000 0.000 0.000) 0.000 6.857 ( 0.000 0.000 0.000) 0.000 7.414 ( 0.000 0.000 0.000) 0.000 7.637 ( 0.000 0.000 0.000) 0.000 8.363 ( 0.000 0.000 0.000) 0.000 8.451 ( 0.000 0.000 0.000) 0.000 8.560 ( 0.000 0.000 0.000) 0.000 8.671 ( 0.000 0.000 0.000) 0.000 8.863 ( 0.000 0.000 0.000) 0.000 9.070 ( 0.000 0.000 0.000) 0.000 9.418 ( 0.000 0.000 0.000) 0.000 9.693 ( 0.000 0.000 0.000) 0.000 9.876 ( 0.000 0.000 0.000) 0.000 9.910 ( 0.000 0.000 0.000) 0.000 11.006 ( 0.000 0.000 0.000) 0.000 11.039 ( 0.000 0.000 0.000) 0.000 11.184 ( 0.000 0.000 0.000) 0.000 11.398 ( 0.000 0.000 0.000) 0.000 12.220 ( 0.000 0.000 0.000) 0.000 12.227 ( 0.000 0.000 0.000) 0.000 12.812 ( 0.000 0.000 0.000) 0.000 12.899 ( 0.000 0.000 0.000) 0.000 13.164 ( 0.000 0.000 0.000) 0.000 13.424 ( 0.000 0.000 0.000) 0.000 14.900 ( 0.000 0.000 0.000) 0.000 14.955 ( 0.000 0.000 0.000) 0.000 14.973 ( 0.000 0.000 0.000) 0.000 14.988 ( 0.000 0.000 0.000) 0.000 15.386 ( 0.000 0.000 0.000) 0.000 15.399 ( 0.000 0.000 0.000) 0.000 15.615 ( 0.000 0.000 0.000) 0.000 15.782 ( 0.000 0.000 0.000) 0.000 16.218 ( 0.000 0.000 0.000) 0.000 16.225 ( 0.000 0.000 0.000) 0.000 16.574 ( 0.000 0.000 0.000) 0.000 16.594 ( 0.000 0.000 0.000) 0.000 16.768 ( 0.000 0.000 0.000) 0.000 16.828 ( 0.000 0.000 0.000) 0.000 16.835 ( 0.000 0.000 0.000) 0.000 16.881 ( 0.000 0.000 0.000) 0.000 26.446 ( 0.000 0.000 0.000) 0.000 26.446 ( 0.000 0.000 0.000) 0.000 26.485 ( 0.000 0.000 0.000) 0.000 26.607 ( 0.000 0.000 0.000) 0.000 26.937 ( 0.000 0.000 0.000) 0.000 26.952 ( 0.000 0.000 0.000) 0.000 27.207 ( 0.000 0.000 0.000) 0.000 27.718 ( 0.000 0.000 0.000) 0.000 28.166 ( 0.000 0.000 0.000) 0.000 28.532 ( 0.000 0.000 0.000) 0.000 28.825 ( 0.000 0.000 0.000) 0.000 29.006 ( 0.000 0.000 0.000) 0.000 29.059 ( 0.000 0.000 0.000) 0.000 29.373 ( 0.000 0.000 0.000) 0.000 29.682 ( 0.000 0.000 0.000) 0.000 30.022 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/63) ======================= q-point: ( 0.12 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.233 ( 11.784 0.000 -6.655) 13.533 0.365 ( 17.809 0.000 0.043) 17.809 0.578 ( 3.966 0.000 -0.083) 3.967 0.753 ( 35.503 0.000 2.330) 35.580 0.914 ( 0.207 0.000 -0.590) 0.626 0.936 ( 0.314 0.000 -0.106) 0.331 0.981 ( 3.327 0.000 -2.397) 4.101 1.003 ( 4.730 0.000 1.362) 4.922 1.081 ( 5.081 0.000 -1.220) 5.226 1.129 ( 2.678 0.000 -1.347) 2.997 1.167 ( 0.104 0.000 3.979) 3.980 1.251 ( 2.358 0.000 0.103) 2.360 1.308 ( 3.486 0.000 1.967) 4.003 1.339 ( 2.658 0.000 -3.509) 4.402 1.401 ( 3.293 0.000 0.212) 3.300 1.455 ( -0.842 0.000 5.952) 6.011 1.464 ( 8.964 0.000 0.369) 8.971 1.499 ( 6.392 0.000 0.642) 6.424 1.581 ( 2.387 0.000 0.387) 2.418 1.582 ( 3.355 0.000 -3.192) 4.631 1.641 ( -2.931 0.000 0.926) 3.073 1.820 ( 0.401 0.000 1.925) 1.966 1.937 ( 2.781 0.000 1.543) 3.180 1.965 ( 7.216 0.000 -1.521) 7.374 2.041 ( -3.249 0.000 -2.779) 4.276 2.145 ( 1.673 0.000 -2.232) 2.790 2.230 ( 2.787 0.000 0.086) 2.788 2.344 ( -0.998 0.000 -0.488) 1.111 2.558 ( 1.470 0.000 0.435) 1.533 2.772 ( -3.798 0.000 -0.428) 3.822 2.873 ( -4.154 0.000 2.117) 4.662 2.925 ( -3.913 0.000 -0.830) 4.000 3.004 ( -2.668 0.000 -1.129) 2.897 3.162 ( -0.548 0.000 -3.963) 4.001 3.275 ( 0.599 0.000 -1.452) 1.571 3.343 ( -5.692 0.000 -7.671) 9.552 3.515 ( 1.153 0.000 0.137) 1.161 3.536 ( -4.122 0.000 -1.945) 4.558 3.581 ( 2.068 0.000 1.338) 2.463 3.591 ( 1.175 0.000 -6.542) 6.646 3.648 ( -6.897 0.000 -8.977) 11.321 3.725 ( -1.134 0.000 2.023) 2.319 3.806 ( -2.208 0.000 -1.209) 2.517 3.984 ( -1.820 0.000 5.608) 5.895 3.993 ( 1.710 0.000 0.056) 1.711 4.177 ( 0.993 0.000 -0.760) 1.250 4.344 ( 1.789 0.000 -10.160) 10.316 4.402 ( -1.689 0.000 -0.759) 1.852 4.711 ( -1.819 0.000 0.380) 1.858 4.898 ( 3.130 0.000 2.266) 3.864 4.934 ( -0.828 0.000 4.032) 4.116 4.955 ( -1.102 0.000 0.302) 1.143 5.306 ( 0.298 0.000 -0.433) 0.525 5.589 ( -0.841 0.000 2.579) 2.712 5.683 ( -1.307 0.000 1.209) 1.780 6.073 ( -0.898 0.000 7.765) 7.817 6.200 ( -1.910 0.000 -1.553) 2.462 6.262 ( -3.179 0.000 1.123) 3.372 6.849 ( -0.539 0.000 0.260) 0.599 6.873 ( -1.211 0.000 9.806) 9.880 7.446 ( 2.825 0.000 2.242) 3.606 7.578 ( -5.613 0.000 0.819) 5.673 8.382 ( -6.822 0.000 -2.484) 7.260 8.505 ( -7.313 0.000 -1.269) 7.422 8.586 ( -3.595 0.000 0.936) 3.715 8.743 ( -4.970 0.000 -8.820) 10.124 9.019 ( 7.313 0.000 -15.676) 17.298 9.154 ( 6.275 0.000 -7.332) 9.651 9.515 ( 8.488 0.000 5.468) 10.097 9.793 ( 5.551 0.000 2.773) 6.205 9.995 ( 10.295 0.000 0.561) 10.311 10.004 ( 9.407 0.000 -0.453) 9.418 11.010 ( 0.365 0.000 0.796) 0.876 11.032 ( -0.659 0.000 -0.415) 0.779 11.187 ( -1.458 0.000 -0.993) 1.764 11.382 ( -1.715 0.000 1.404) 2.217 12.142 ( -7.791 0.000 -0.566) 7.811 12.146 ( -7.556 0.000 1.796) 7.767 12.812 ( 0.069 0.000 -0.948) 0.950 12.961 ( 5.350 0.000 1.815) 5.649 13.144 ( -1.899 0.000 -2.043) 2.790 13.490 ( 5.974 0.000 2.151) 6.350 14.880 ( -2.626 0.000 -0.103) 2.628 14.915 ( -1.529 0.000 -2.645) 3.055 14.950 ( -2.891 0.000 1.434) 3.227 15.016 ( 1.893 0.000 1.424) 2.369 15.384 ( -2.105 0.000 2.122) 2.989 15.393 ( -0.497 0.000 -0.224) 0.545 15.623 ( 0.456 0.000 1.537) 1.603 15.758 ( -2.092 0.000 -1.089) 2.359 16.042 ( -10.792 0.000 -0.985) 10.837 16.246 ( -17.854 0.000 3.655) 18.224 16.764 ( -0.250 0.000 0.532) 0.588 16.771 ( 4.460 0.000 -1.025) 4.576 16.813 ( 5.533 0.000 -2.830) 6.215 16.900 ( 16.027 0.000 0.333) 16.031 16.979 ( 10.192 0.000 0.664) 10.214 17.533 ( 7.248 0.000 1.994) 7.517 26.427 ( -1.080 0.000 -1.770) 2.073 26.498 ( 0.568 0.000 1.690) 1.782 26.524 ( -1.251 0.000 4.354) 4.530 26.618 ( 0.678 0.000 0.518) 0.853 26.947 ( 0.760 0.000 1.501) 1.683 26.957 ( 0.508 0.000 0.230) 0.558 27.208 ( -0.250 0.000 2.727) 2.738 27.703 ( -1.445 0.000 0.264) 1.469 28.170 ( 0.270 0.000 0.752) 0.799 28.800 ( -2.413 0.000 -1.064) 2.637 29.013 ( -5.847 0.000 19.530) 20.387 29.041 ( 3.145 0.000 -2.831) 4.232 29.103 ( -0.942 0.000 17.881) 17.906 29.309 ( -5.607 0.000 -1.792) 5.886 29.925 ( -9.120 0.000 0.680) 9.145 30.192 ( 0.740 0.000 -24.288) 24.299 ======================= Grid point 2 (3/63) ======================= q-point: ( 0.25 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.437 ( 9.572 0.000 -4.498) 10.577 0.665 ( 5.297 0.000 2.233) 5.748 0.693 ( 12.955 0.000 -2.185) 13.138 0.916 ( 0.880 0.000 -1.029) 1.354 0.936 ( -0.271 0.000 0.237) 0.360 1.010 ( -0.074 0.000 -1.305) 1.308 1.078 ( 1.921 0.000 -0.213) 1.933 1.130 ( 4.160 0.000 -3.076) 5.174 1.179 ( 2.712 0.000 3.295) 4.268 1.206 ( 4.462 0.000 0.888) 4.550 1.278 ( 1.907 0.000 -0.093) 1.909 1.344 ( 0.183 0.000 0.850) 0.869 1.346 ( 4.231 0.000 -0.982) 4.344 1.382 ( -3.800 0.000 6.069) 7.160 1.485 ( 12.293 0.000 -2.038) 12.461 1.546 ( 18.966 0.000 0.583) 18.975 1.571 ( -2.664 0.000 0.904) 2.814 1.642 ( 5.037 0.000 -1.289) 5.199 1.685 ( 10.879 0.000 1.615) 10.998 1.754 ( 10.677 0.000 -0.098) 10.678 1.762 ( 15.737 0.000 0.924) 15.764 1.858 ( 3.755 0.000 0.378) 3.774 1.947 ( -5.163 0.000 -2.738) 5.844 2.033 ( 6.354 0.000 4.378) 7.716 2.087 ( 4.512 0.000 -1.138) 4.653 2.176 ( 0.450 0.000 -1.919) 1.971 2.293 ( -2.009 0.000 -3.996) 4.472 2.299 ( 4.067 0.000 0.974) 4.182 2.613 ( 3.528 0.000 2.406) 4.270 2.674 ( -4.986 0.000 -0.101) 4.987 2.791 ( -3.848 0.000 2.591) 4.639 2.886 ( 1.138 0.000 -2.133) 2.418 2.960 ( -1.300 0.000 -2.893) 3.172 3.111 ( -3.218 0.000 -6.473) 7.228 3.235 ( -4.494 0.000 1.917) 4.886 3.238 ( -3.912 0.000 -1.392) 4.152 3.438 ( -10.407 0.000 -0.745) 10.434 3.456 ( -3.239 0.000 -1.792) 3.701 3.541 ( -0.692 0.000 2.501) 2.595 3.586 ( -0.826 0.000 -7.878) 7.922 3.597 ( -1.986 0.000 1.096) 2.268 3.710 ( -0.981 0.000 3.732) 3.859 3.746 ( -2.238 0.000 -2.419) 3.295 3.940 ( -2.911 0.000 2.570) 3.883 4.015 ( 0.167 0.000 -0.291) 0.336 4.149 ( -4.377 0.000 -1.791) 4.729 4.378 ( -0.183 0.000 0.044) 0.189 4.388 ( 4.544 0.000 -8.097) 9.285 4.668 ( -2.412 0.000 0.120) 2.415 4.892 ( -4.448 0.000 4.065) 6.026 4.959 ( 1.996 0.000 -1.497) 2.495 4.976 ( 4.015 0.000 2.614) 4.791 5.302 ( -0.702 0.000 -0.264) 0.750 5.590 ( 0.626 0.000 4.276) 4.322 5.641 ( -3.226 0.000 2.133) 3.867 6.054 ( -2.187 0.000 2.516) 3.334 6.147 ( -2.899 0.000 -4.564) 5.407 6.182 ( -4.662 0.000 3.373) 5.754 6.851 ( 0.802 0.000 1.178) 1.425 6.867 ( -0.598 0.000 3.096) 3.153 7.441 ( -7.545 0.000 0.685) 7.577 7.525 ( 4.241 0.000 3.094) 5.249 8.191 ( -10.707 0.000 -2.052) 10.902 8.323 ( -8.856 0.000 -2.611) 9.233 8.546 ( -1.501 0.000 0.106) 1.505 8.662 ( -2.405 0.000 -1.417) 2.792 9.119 ( 4.542 0.000 -3.610) 5.801 9.246 ( 3.949 0.000 -4.343) 5.870 9.723 ( 10.273 0.000 3.212) 10.764 9.961 ( 9.700 0.000 -0.034) 9.700 10.250 ( 14.828 0.000 0.197) 14.830 10.271 ( 16.986 0.000 -0.925) 17.012 11.015 ( -0.801 0.000 -0.603) 1.002 11.022 ( 0.539 0.000 0.915) 1.062 11.149 ( -1.504 0.000 -3.020) 3.374 11.338 ( -3.188 0.000 3.014) 4.387 11.938 ( -13.260 0.000 1.297) 13.323 11.947 ( -11.004 0.000 -1.243) 11.074 12.810 ( -0.057 0.000 -0.963) 0.965 13.086 ( 6.099 0.000 2.884) 6.746 13.093 ( -2.342 0.000 -3.700) 4.379 13.639 ( 7.623 0.000 2.794) 8.119 14.790 ( -5.427 0.000 1.256) 5.570 14.899 ( 0.493 0.000 -2.414) 2.464 14.914 ( -1.184 0.000 0.030) 1.184 15.039 ( 0.024 0.000 1.559) 1.559 15.347 ( -1.613 0.000 0.853) 1.825 15.380 ( -0.629 0.000 -0.465) 0.782 15.629 ( -0.521 0.000 1.878) 1.949 15.707 ( -2.573 0.000 -1.929) 3.216 15.863 ( -7.006 0.000 -0.576) 7.030 15.931 ( -13.534 0.000 2.271) 13.723 16.766 ( 0.345 0.000 0.751) 0.826 16.839 ( 0.536 0.000 -3.603) 3.642 16.853 ( 4.232 0.000 -0.492) 4.260 17.116 ( 3.267 0.000 1.457) 3.577 17.292 ( 18.860 0.000 0.333) 18.862 17.736 ( 11.622 0.000 -0.121) 11.622 26.411 ( -0.069 0.000 -1.782) 1.783 26.503 ( -0.410 0.000 1.724) 1.773 26.519 ( 0.531 0.000 0.014) 0.531 26.628 ( 0.235 0.000 -0.335) 0.410 26.970 ( 1.081 0.000 1.890) 2.177 26.972 ( 0.868 0.000 0.286) 0.914 27.203 ( -0.815 0.000 2.451) 2.583 27.666 ( -2.166 0.000 0.555) 2.236 28.178 ( 0.316 0.000 1.051) 1.097 28.730 ( -3.903 0.000 -2.291) 4.526 28.912 ( -6.887 0.000 12.318) 14.112 29.055 ( -4.159 0.000 -6.315) 7.561 29.115 ( 0.112 0.000 4.501) 4.502 29.216 ( -0.007 0.000 -0.993) 0.993 29.706 ( -11.844 0.000 2.400) 12.085 30.156 ( -1.041 0.000 -9.139) 9.198 ======================= Grid point 3 (4/63) ======================= q-point: ( 0.38 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.587 ( 5.811 0.000 -2.329) 6.261 0.749 ( 3.587 0.000 0.807) 3.676 0.834 ( 1.116 0.000 0.432) 1.197 0.924 ( -0.999 0.000 0.238) 1.027 0.944 ( 0.703 0.000 -1.864) 1.992 0.997 ( -0.245 0.000 -1.253) 1.276 1.185 ( 2.486 0.000 -2.073) 3.237 1.190 ( 9.639 0.000 0.501) 9.652 1.214 ( -0.819 0.000 -0.164) 0.835 1.225 ( 1.338 0.000 0.481) 1.422 1.305 ( -4.313 0.000 4.717) 6.391 1.340 ( 3.203 0.000 -1.086) 3.382 1.379 ( 1.016 0.000 -0.873) 1.339 1.402 ( 4.293 0.000 0.853) 4.377 1.512 ( -3.089 0.000 1.301) 3.352 1.622 ( 5.340 0.000 0.467) 5.360 1.720 ( 4.796 0.000 -3.148) 5.737 1.799 ( -9.850 0.000 -2.317) 10.119 1.805 ( 2.773 0.000 -0.722) 2.866 1.875 ( 6.660 0.000 1.742) 6.884 1.922 ( 4.526 0.000 -0.155) 4.529 1.974 ( 4.223 0.000 1.057) 4.354 2.118 ( 4.311 0.000 4.221) 6.033 2.141 ( -0.073 0.000 -0.774) 0.777 2.163 ( 3.851 0.000 -1.076) 3.998 2.216 ( 20.511 0.000 1.354) 20.555 2.310 ( 1.884 0.000 -3.936) 4.364 2.425 ( 8.386 0.000 3.587) 9.121 2.639 ( -2.286 0.000 5.046) 5.539 2.649 ( 4.470 0.000 -1.861) 4.842 2.804 ( 5.731 0.000 -1.487) 5.921 2.924 ( -3.070 0.000 -3.354) 4.547 2.951 ( 4.738 0.000 -1.898) 5.104 3.029 ( -3.258 0.000 -3.902) 5.083 3.139 ( -5.219 0.000 -0.820) 5.283 3.141 ( -7.672 0.000 2.929) 8.212 3.263 ( -3.572 0.000 -0.851) 3.672 3.390 ( -3.522 0.000 -0.194) 3.527 3.491 ( -3.857 0.000 -1.020) 3.990 3.530 ( -3.002 0.000 1.846) 3.525 3.555 ( -2.222 0.000 -0.431) 2.263 3.636 ( -4.923 0.000 -2.704) 5.616 3.775 ( 2.954 0.000 3.456) 4.546 3.890 ( -2.821 0.000 1.414) 3.155 3.988 ( -2.593 0.000 -1.360) 2.928 4.015 ( -6.460 0.000 -2.586) 6.959 4.396 ( 1.516 0.000 1.062) 1.851 4.490 ( 6.642 0.000 -6.071) 8.999 4.622 ( -1.953 0.000 -0.784) 2.104 4.783 ( -6.842 0.000 3.059) 7.495 5.012 ( 2.889 0.000 -0.602) 2.951 5.057 ( 3.356 0.000 1.625) 3.729 5.284 ( -0.882 0.000 0.422) 0.978 5.574 ( -3.365 0.000 1.873) 3.851 5.627 ( 1.996 0.000 3.561) 4.083 5.999 ( -3.109 0.000 0.003) 3.109 6.064 ( -3.785 0.000 -2.724) 4.664 6.123 ( -1.819 0.000 1.588) 2.414 6.862 ( -0.288 0.000 1.083) 1.121 6.882 ( 1.700 0.000 1.465) 2.244 7.308 ( -5.273 0.000 0.006) 5.273 7.607 ( 2.974 0.000 2.133) 3.660 7.997 ( -7.430 0.000 -0.803) 7.473 8.171 ( -5.480 0.000 -2.234) 5.918 8.521 ( -0.907 0.000 -0.049) 0.908 8.630 ( -0.839 0.000 -0.107) 0.845 9.185 ( 2.401 0.000 -0.650) 2.488 9.298 ( 1.881 0.000 -1.623) 2.484 9.898 ( 6.322 0.000 0.954) 6.393 10.127 ( 6.223 0.000 -0.376) 6.234 10.558 ( 14.563 0.000 1.364) 14.627 10.641 ( 19.274 0.000 -1.434) 19.328 10.993 ( -1.628 0.000 -1.047) 1.935 11.031 ( 0.168 0.000 -0.021) 0.169 11.148 ( 3.245 0.000 -3.786) 4.986 11.252 ( -6.792 0.000 4.459) 8.125 11.641 ( -16.295 0.000 1.614) 16.375 11.731 ( -9.168 0.000 -1.717) 9.327 12.807 ( -0.067 0.000 -0.409) 0.414 13.047 ( -1.499 0.000 -2.736) 3.120 13.194 ( 3.819 0.000 2.273) 4.444 13.774 ( 4.916 0.000 1.817) 5.241 14.704 ( -3.074 0.000 1.030) 3.242 14.893 ( -0.836 0.000 -0.438) 0.944 14.925 ( 2.354 0.000 -2.155) 3.191 15.023 ( -1.845 0.000 1.696) 2.506 15.327 ( -0.599 0.000 0.321) 0.680 15.370 ( -0.270 0.000 -0.314) 0.414 15.590 ( -3.803 0.000 1.559) 4.110 15.655 ( -2.091 0.000 -1.597) 2.632 15.752 ( -4.294 0.000 0.818) 4.372 15.760 ( -3.232 0.000 -0.102) 3.234 16.780 ( 0.831 0.000 1.130) 1.402 16.833 ( -0.482 0.000 -2.977) 3.016 16.936 ( 3.908 0.000 -0.419) 3.930 17.135 ( -0.954 0.000 1.312) 1.622 17.597 ( 10.935 0.000 0.265) 10.939 17.939 ( 7.759 0.000 -0.381) 7.768 26.420 ( 1.292 0.000 -1.549) 2.017 26.487 ( -1.475 0.000 1.532) 2.127 26.542 ( 1.536 0.000 -0.714) 1.694 26.627 ( -0.280 0.000 -0.134) 0.310 26.990 ( 0.769 0.000 0.182) 0.791 26.992 ( 0.775 0.000 1.141) 1.379 27.187 ( -0.934 0.000 1.405) 1.687 27.626 ( -1.768 0.000 0.511) 1.840 28.185 ( 0.181 0.000 0.728) 0.750 28.665 ( -1.417 0.000 -2.077) 2.515 28.806 ( -4.918 0.000 6.131) 7.860 28.887 ( -9.066 0.000 -3.580) 9.747 29.123 ( 0.117 0.000 1.503) 1.507 29.281 ( 4.945 0.000 -4.167) 6.466 29.505 ( -8.521 0.000 4.667) 9.716 30.124 ( -0.860 0.000 -3.455) 3.560 ======================= Grid point 4 (5/63) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 33 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.645 ( 0.000 0.000 -0.000) 0.000 0.804 ( 0.000 0.000 -0.000) 0.000 0.820 ( -0.000 0.000 0.000) 0.000 0.911 ( 0.000 0.000 -0.000) 0.000 0.942 ( 0.000 0.000 0.000) 0.000 0.996 ( 0.000 0.000 0.000) 0.000 1.199 ( 0.000 0.000 -0.000) 0.000 1.222 ( -0.000 0.000 0.000) 0.000 1.242 ( -0.000 0.000 0.000) 0.000 1.244 ( 0.000 0.000 -0.000) 0.000 1.315 ( 0.000 0.000 -0.000) 0.000 1.389 ( 0.000 0.000 -0.000) 0.000 1.407 ( 0.000 0.000 0.000) 0.000 1.467 ( 0.000 0.000 0.000) 0.000 1.500 ( 0.000 0.000 0.000) 0.000 1.606 ( 0.000 0.000 0.000) 0.000 1.687 ( 0.000 0.000 -0.000) 0.000 1.759 ( 0.000 0.000 -0.000) 0.000 1.847 ( 0.000 0.000 0.000) 0.000 1.940 ( 0.000 0.000 0.000) 0.000 1.955 ( 0.000 0.000 0.000) 0.000 1.990 ( 0.000 0.000 0.000) 0.000 2.118 ( 0.000 0.000 -0.000) 0.000 2.160 ( 0.000 0.000 0.000) 0.000 2.223 ( 0.000 0.000 0.000) 0.000 2.311 ( 0.000 0.000 0.000) 0.000 2.512 ( 0.000 0.000 -0.000) 0.000 2.540 ( 0.000 0.000 -0.000) 0.000 2.612 ( 0.000 0.000 -0.000) 0.000 2.753 ( 0.000 0.000 0.000) 0.000 2.819 ( 0.000 0.000 -0.000) 0.000 2.903 ( 0.000 0.000 -0.000) 0.000 2.997 ( 0.000 0.000 0.000) 0.000 3.008 ( -0.000 0.000 0.000) 0.000 3.025 ( 0.000 0.000 -0.000) 0.000 3.072 ( -0.000 0.000 -0.000) 0.000 3.254 ( 0.000 0.000 -0.000) 0.000 3.339 ( 0.000 0.000 0.000) 0.000 3.443 ( 0.000 0.000 -0.000) 0.000 3.501 ( 0.000 0.000 -0.000) 0.000 3.523 ( -0.000 0.000 -0.000) 0.000 3.555 ( 0.000 0.000 0.000) 0.000 3.825 ( 0.000 0.000 0.000) 0.000 3.846 ( 0.000 0.000 0.000) 0.000 3.942 ( 0.000 0.000 0.000) 0.000 3.954 ( 0.000 0.000 -0.000) 0.000 4.418 ( 0.000 0.000 -0.000) 0.000 4.595 ( 0.000 0.000 -0.000) 0.000 4.599 ( 0.000 0.000 0.000) 0.000 4.671 ( -0.000 0.000 0.000) 0.000 5.045 ( 0.000 0.000 -0.000) 0.000 5.097 ( 0.000 0.000 -0.000) 0.000 5.275 ( 0.000 0.000 -0.000) 0.000 5.537 ( 0.000 0.000 0.000) 0.000 5.657 ( 0.000 0.000 0.000) 0.000 5.961 ( 0.000 0.000 -0.000) 0.000 6.020 ( 0.000 0.000 0.000) 0.000 6.107 ( 0.000 0.000 -0.000) 0.000 6.860 ( 0.000 0.000 0.000) 0.000 6.904 ( 0.000 0.000 -0.000) 0.000 7.252 ( 0.000 0.000 0.000) 0.000 7.639 ( 0.000 0.000 0.000) 0.000 7.920 ( 0.000 0.000 -0.000) 0.000 8.112 ( 0.000 0.000 0.000) 0.000 8.512 ( 0.000 0.000 -0.000) 0.000 8.623 ( 0.000 0.000 0.000) 0.000 9.209 ( 0.000 0.000 -0.000) 0.000 9.315 ( 0.000 0.000 0.000) 0.000 9.964 ( 0.000 0.000 -0.000) 0.000 10.190 ( 0.000 0.000 -0.000) 0.000 10.734 ( 0.000 0.000 0.000) 0.000 10.962 ( 0.000 0.000 -0.000) 0.000 10.971 ( 0.000 0.000 -0.000) 0.000 10.973 ( -0.000 0.000 0.000) 0.000 11.121 ( 0.000 0.000 -0.000) 0.000 11.267 ( 0.000 0.000 -0.000) 0.000 11.375 ( 0.000 0.000 0.000) 0.000 11.630 ( 0.000 0.000 -0.000) 0.000 12.806 ( 0.000 0.000 -0.000) 0.000 13.029 ( 0.000 0.000 -0.000) 0.000 13.236 ( 0.000 0.000 0.000) 0.000 13.826 ( 0.000 0.000 0.000) 0.000 14.675 ( 0.000 0.000 0.000) 0.000 14.883 ( 0.000 0.000 -0.000) 0.000 14.970 ( 0.000 0.000 0.000) 0.000 14.983 ( 0.000 0.000 -0.000) 0.000 15.322 ( 0.000 0.000 0.000) 0.000 15.368 ( 0.000 0.000 0.000) 0.000 15.540 ( 0.000 0.000 -0.000) 0.000 15.630 ( 0.000 0.000 0.000) 0.000 15.720 ( 0.000 0.000 -0.000) 0.000 15.729 ( 0.000 0.000 0.000) 0.000 16.795 ( 0.000 0.000 -0.000) 0.000 16.819 ( 0.000 0.000 0.000) 0.000 16.984 ( 0.000 0.000 0.000) 0.000 17.117 ( 0.000 0.000 -0.000) 0.000 17.709 ( 0.000 0.000 0.000) 0.000 18.019 ( 0.000 0.000 -0.000) 0.000 26.446 ( 0.000 0.000 -0.000) 0.000 26.459 ( -0.000 0.000 0.000) 0.000 26.561 ( 0.000 0.000 -0.000) 0.000 26.621 ( 0.000 0.000 0.000) 0.000 26.998 ( 0.000 0.000 0.000) 0.000 27.001 ( 0.000 0.000 -0.000) 0.000 27.178 ( 0.000 0.000 -0.000) 0.000 27.607 ( 0.000 0.000 0.000) 0.000 28.187 ( 0.000 0.000 -0.000) 0.000 28.669 ( 0.000 0.000 0.000) 0.000 28.759 ( 0.000 0.000 -0.000) 0.000 28.763 ( 0.000 0.000 0.000) 0.000 29.126 ( 0.000 0.000 -0.000) 0.000 29.372 ( -0.000 0.000 0.000) 0.000 29.382 ( 0.000 0.000 -0.000) 0.000 30.112 ( 0.000 0.000 -0.000) 0.000 ======================= Grid point 9 (6/63) ======================= q-point: ( 0.00 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.300 ( 0.000 14.671 0.000) 14.671 0.392 ( 0.000 18.880 0.000) 18.880 0.568 ( 0.000 10.179 0.000) 10.179 0.630 ( 0.000 19.041 0.000) 19.041 0.905 ( 0.000 -0.149 0.000) 0.149 0.937 ( 0.000 0.618 0.000) 0.618 0.962 ( 0.000 2.463 0.000) 2.463 0.970 ( 0.000 1.675 0.000) 1.675 1.070 ( 0.000 3.832 0.000) 3.832 1.075 ( 0.000 0.182 0.000) 0.182 1.167 ( 0.000 -2.122 0.000) 2.122 1.203 ( 0.000 -2.144 0.000) 2.144 1.239 ( 0.000 -2.528 0.000) 2.528 1.300 ( 0.000 0.457 0.000) 0.457 1.301 ( 0.000 -4.479 0.000) 4.479 1.342 ( 0.000 -0.141 0.000) 0.141 1.392 ( 0.000 -6.561 0.000) 6.561 1.469 ( 0.000 1.308 0.000) 1.308 1.498 ( 0.000 -1.808 0.000) 1.808 1.586 ( 0.000 -0.196 0.000) 0.196 1.689 ( 0.000 -1.265 0.000) 1.265 1.799 ( 0.000 -0.483 0.000) 0.483 1.875 ( 0.000 -2.010 0.000) 2.010 1.936 ( 0.000 4.793 0.000) 4.793 2.059 ( 0.000 -5.141 0.000) 5.141 2.146 ( 0.000 4.193 0.000) 4.193 2.226 ( 0.000 -0.364 0.000) 0.364 2.280 ( 0.000 -4.532 0.000) 4.532 2.601 ( 0.000 3.485 0.000) 3.485 2.841 ( 0.000 -1.118 0.000) 1.118 2.880 ( 0.000 -1.195 0.000) 1.195 3.006 ( 0.000 -0.588 0.000) 0.588 3.144 ( 0.000 5.511 0.000) 5.511 3.155 ( 0.000 -0.133 0.000) 0.133 3.201 ( 0.000 0.736 0.000) 0.736 3.323 ( 0.000 -2.674 0.000) 2.674 3.484 ( 0.000 0.753 0.000) 0.753 3.507 ( 0.000 -2.937 0.000) 2.937 3.514 ( 0.000 -4.225 0.000) 4.225 3.619 ( 0.000 0.762 0.000) 0.762 3.622 ( 0.000 -5.617 0.000) 5.617 3.760 ( 0.000 0.723 0.000) 0.723 3.819 ( 0.000 2.274 0.000) 2.274 3.900 ( 0.000 -5.237 0.000) 5.237 3.986 ( 0.000 -2.577 0.000) 2.577 4.106 ( 0.000 -4.439 0.000) 4.439 4.275 ( 0.000 9.358 0.000) 9.358 4.716 ( 0.000 -0.075 0.000) 0.075 4.744 ( 0.000 2.213 0.000) 2.213 4.853 ( 0.000 -0.350 0.000) 0.350 4.971 ( 0.000 3.173 0.000) 3.173 5.021 ( 0.000 5.260 0.000) 5.260 5.347 ( 0.000 4.074 0.000) 4.074 5.556 ( 0.000 -10.695 0.000) 10.695 5.567 ( 0.000 -2.400 0.000) 2.400 5.893 ( 0.000 -4.305 0.000) 4.305 6.317 ( 0.000 7.851 0.000) 7.851 6.670 ( 0.000 -1.600 0.000) 1.600 6.812 ( 0.000 2.558 0.000) 2.558 7.031 ( 0.000 -5.529 0.000) 5.529 7.488 ( 0.000 5.623 0.000) 5.623 7.640 ( 0.000 0.249 0.000) 0.249 8.374 ( 0.000 1.096 0.000) 1.096 8.453 ( 0.000 -0.060 0.000) 0.060 8.632 ( 0.000 -2.854 0.000) 2.854 8.656 ( 0.000 -1.374 0.000) 1.374 8.965 ( 0.000 8.181 0.000) 8.181 9.186 ( 0.000 5.039 0.000) 5.039 9.390 ( 0.000 -2.935 0.000) 2.935 9.637 ( 0.000 -5.386 0.000) 5.386 9.873 ( 0.000 -0.279 0.000) 0.279 9.898 ( 0.000 -1.059 0.000) 1.059 11.058 ( 0.000 1.845 0.000) 1.845 11.124 ( 0.000 1.589 0.000) 1.589 11.176 ( 0.000 -0.809 0.000) 0.809 11.357 ( 0.000 -3.889 0.000) 3.889 12.258 ( 0.000 3.628 0.000) 3.628 12.556 ( 0.000 -3.461 0.000) 3.461 12.816 ( 0.000 0.417 0.000) 0.417 12.880 ( 0.000 -1.583 0.000) 1.583 13.201 ( 0.000 3.372 0.000) 3.372 13.408 ( 0.000 -1.847 0.000) 1.847 14.924 ( 0.000 -0.860 0.000) 0.860 14.954 ( 0.000 -1.422 0.000) 1.422 14.973 ( 0.000 1.027 0.000) 1.027 14.995 ( 0.000 0.313 0.000) 0.313 15.408 ( 0.000 2.082 0.000) 2.082 15.575 ( 0.000 -2.226 0.000) 2.226 15.644 ( 0.000 1.649 0.000) 1.649 15.766 ( 0.000 -1.561 0.000) 1.561 16.220 ( 0.000 -0.024 0.000) 0.024 16.224 ( 0.000 -0.106 0.000) 0.106 16.576 ( 0.000 0.214 0.000) 0.214 16.592 ( 0.000 -0.166 0.000) 0.166 16.773 ( 0.000 0.469 0.000) 0.469 16.824 ( 0.000 -0.894 0.000) 0.894 16.865 ( 0.000 0.568 0.000) 0.568 16.881 ( 0.000 0.024 0.000) 0.024 26.426 ( 0.000 -0.911 0.000) 0.911 26.458 ( 0.000 -2.083 0.000) 2.083 26.476 ( 0.000 2.028 0.000) 2.028 26.604 ( 0.000 -0.639 0.000) 0.639 26.972 ( 0.000 3.230 0.000) 3.230 27.186 ( 0.000 -2.040 0.000) 2.040 27.749 ( 0.000 2.984 0.000) 2.984 28.045 ( 0.000 -5.722 0.000) 5.722 28.276 ( 0.000 5.786 0.000) 5.786 28.517 ( 0.000 -1.552 0.000) 1.552 28.978 ( 0.000 1.173 0.000) 1.173 29.007 ( 0.000 0.086 0.000) 0.086 29.059 ( 0.000 0.130 0.000) 0.130 29.290 ( 0.000 -6.512 0.000) 6.512 29.768 ( 0.000 6.852 0.000) 6.852 30.117 ( 0.000 -2.921 0.000) 2.921 ======================= Grid point 10 (7/63) ======================= q-point: ( 0.12 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.361 ( 6.144 11.361 -2.564) 13.168 0.462 ( 10.302 9.984 -0.617) 14.360 0.624 ( 3.795 3.849 0.292) 5.413 0.878 ( 7.784 3.645 1.292) 8.691 0.940 ( 1.249 0.301 0.604) 1.420 0.966 ( 2.359 0.090 -0.401) 2.394 0.981 ( 10.903 6.222 0.147) 12.554 1.025 ( 3.188 1.652 -2.748) 4.522 1.118 ( 5.600 0.963 0.301) 5.691 1.155 ( 6.149 8.287 -0.189) 10.320 1.207 ( 1.085 2.137 3.199) 3.997 1.232 ( 6.890 -2.160 -0.881) 7.275 1.280 ( 2.641 0.175 1.631) 3.110 1.339 ( 3.343 -5.554 -0.038) 6.483 1.365 ( 0.568 -3.664 0.281) 3.718 1.389 ( 3.329 -1.785 1.412) 4.032 1.410 ( 9.658 -3.868 0.413) 10.412 1.522 ( 1.772 -1.067 -2.269) 3.070 1.533 ( 6.582 1.766 1.627) 7.006 1.597 ( 1.065 -0.976 1.115) 1.825 1.646 ( -0.487 -0.113 -1.250) 1.346 1.820 ( 1.574 0.751 0.977) 1.999 1.887 ( 1.555 -2.632 -0.009) 3.057 1.996 ( 4.480 1.664 -1.046) 4.893 2.066 ( 0.117 -0.650 -0.795) 1.034 2.129 ( 0.756 1.444 -2.539) 3.017 2.217 ( -1.425 -2.956 1.538) 3.624 2.313 ( 3.301 -2.295 -1.593) 4.324 2.603 ( 0.405 3.582 -0.407) 3.628 2.788 ( -4.784 -0.192 -0.125) 4.790 2.881 ( -0.753 -0.330 -0.806) 1.151 2.925 ( -4.925 2.219 -0.063) 5.402 3.083 ( -4.694 3.562 2.566) 6.427 3.162 ( -0.377 1.008 -5.120) 5.232 3.248 ( 1.407 -1.279 1.817) 2.630 3.338 ( -2.758 -1.905 -5.185) 6.174 3.468 ( 0.417 -4.027 -0.866) 4.140 3.472 ( -1.905 -2.143 -0.850) 2.991 3.505 ( -2.539 -4.464 0.797) 5.197 3.601 ( -1.298 -0.334 -1.504) 2.015 3.652 ( 3.132 -1.425 -2.116) 4.040 3.737 ( -3.441 0.818 0.568) 3.583 3.800 ( -2.323 0.876 -1.408) 2.854 3.892 ( 0.340 -6.639 0.915) 6.711 4.010 ( 1.178 -1.098 2.227) 2.748 4.122 ( 0.977 -4.295 0.744) 4.467 4.307 ( 2.498 6.028 -1.493) 6.693 4.603 ( -5.574 8.019 -9.094) 13.345 4.717 ( -1.832 0.048 -0.258) 1.851 4.890 ( 1.999 -0.858 1.832) 2.844 4.972 ( 0.333 2.754 -1.875) 3.348 5.007 ( -2.337 4.709 5.142) 7.353 5.325 ( -1.295 2.793 0.303) 3.094 5.525 ( -0.990 -6.827 1.230) 7.007 5.608 ( 0.858 -4.670 3.145) 5.695 5.921 ( 1.692 -6.898 0.657) 7.133 6.302 ( -1.716 6.714 1.708) 7.137 6.488 ( -12.083 8.839 -2.778) 15.227 6.822 ( -0.131 0.249 1.909) 1.929 6.925 ( -4.494 0.715 4.655) 6.510 7.467 ( 0.534 2.989 4.220) 5.199 7.592 ( -5.003 0.753 1.542) 5.289 8.336 ( -6.407 -2.508 -3.979) 7.948 8.468 ( -3.700 -2.128 -1.612) 4.562 8.566 ( -4.600 -0.182 1.434) 4.821 8.779 ( 9.397 -7.600 -11.076) 16.393 8.904 ( -4.078 7.024 4.591) 9.330 9.238 ( 4.588 1.974 -6.674) 8.336 9.510 ( 10.017 -0.093 4.316) 10.907 9.724 ( 7.864 -4.870 -0.752) 9.280 9.975 ( 9.689 -0.802 -0.061) 9.722 10.007 ( 10.461 -0.433 0.108) 10.471 11.032 ( -2.134 1.795 -0.535) 2.839 11.091 ( -0.992 3.662 -0.475) 3.823 11.170 ( -1.242 -1.346 -0.463) 1.889 11.345 ( -1.209 -3.494 1.138) 3.868 12.174 ( -8.103 2.845 0.185) 8.590 12.275 ( -16.284 5.615 -0.358) 17.228 12.817 ( 0.164 0.548 -1.207) 1.336 12.929 ( 2.834 -2.679 -0.617) 3.948 13.210 ( 0.939 5.304 -0.227) 5.391 13.469 ( 5.718 -2.082 1.868) 6.366 14.881 ( -3.091 -0.105 -0.520) 3.136 14.916 ( -2.914 -0.253 -1.099) 3.125 14.951 ( -1.486 0.470 1.100) 1.908 15.013 ( 0.900 -0.395 0.915) 1.342 15.381 ( -2.095 0.561 0.997) 2.387 15.417 ( -5.445 0.902 -0.100) 5.520 15.640 ( -0.032 1.446 0.862) 1.683 15.745 ( -1.887 -1.252 -0.979) 2.467 16.043 ( -10.552 0.142 -0.659) 10.574 16.162 ( -11.910 -5.608 2.763) 13.451 16.758 ( 0.795 0.215 -0.390) 0.911 16.801 ( 4.508 0.953 -0.701) 4.660 16.812 ( 5.072 0.798 -1.890) 5.471 16.900 ( 16.313 -0.150 0.273) 16.316 16.978 ( 10.300 0.020 0.831) 10.334 17.225 ( 25.341 -15.272 2.958) 29.735 26.416 ( -0.590 -0.872 -0.821) 1.335 26.472 ( 0.688 -2.081 1.649) 2.743 26.492 ( 1.184 0.756 -0.059) 1.407 26.605 ( 0.218 -0.860 -0.655) 1.103 26.978 ( 0.436 3.044 1.819) 3.573 27.186 ( -0.122 -2.040 0.962) 2.259 27.466 ( -23.724 25.491 -4.770) 35.148 27.724 ( -2.361 1.958 -0.040) 3.068 28.196 ( -0.173 3.267 2.257) 3.975 28.705 ( -0.352 -8.751 6.918) 11.160 28.991 ( -2.169 -0.655 10.297) 10.543 29.037 ( 0.900 -1.097 1.090) 1.790 29.083 ( 2.489 0.730 0.414) 2.627 29.327 ( -2.431 -1.676 3.893) 4.886 29.851 ( 1.352 -4.025 -7.922) 8.988 30.048 ( -3.131 -6.317 -7.868) 10.565 ======================= Grid point 11 (8/63) ======================= q-point: ( 0.25 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 101 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.505 ( 7.755 6.409 -3.738) 10.732 0.673 ( 6.769 1.851 1.474) 7.171 0.745 ( 9.173 4.308 -1.140) 10.198 0.901 ( 0.632 -1.037 0.256) 1.241 0.947 ( -0.001 0.299 0.244) 0.386 1.015 ( 1.427 -0.151 -1.621) 2.165 1.047 ( 1.053 -1.814 -0.946) 2.301 1.146 ( 4.499 0.883 -1.201) 4.739 1.194 ( 0.487 1.668 2.361) 2.931 1.214 ( 1.509 0.277 0.782) 1.722 1.291 ( 2.158 -0.492 2.471) 3.317 1.306 ( 1.809 -0.688 0.760) 2.079 1.369 ( 2.929 0.305 -3.074) 4.257 1.407 ( 0.274 1.684 1.829) 2.501 1.482 ( 7.168 -1.330 -1.278) 7.402 1.507 ( -0.659 -3.002 -0.143) 3.077 1.590 ( 16.247 2.382 1.696) 16.508 1.614 ( 4.452 -1.333 -1.076) 4.770 1.695 ( 11.245 -2.433 1.536) 11.608 1.735 ( 15.736 2.252 1.791) 15.997 1.790 ( 13.446 1.347 -0.085) 13.514 1.867 ( 3.233 1.048 -0.187) 3.404 1.944 ( 1.150 -1.218 -1.183) 2.051 2.009 ( 1.165 0.893 -0.444) 1.533 2.100 ( 2.492 -0.316 1.362) 2.857 2.166 ( -2.604 -2.304 2.452) 4.255 2.198 ( 4.840 -2.417 -4.018) 6.739 2.384 ( 3.341 1.824 -1.759) 4.194 2.619 ( 1.238 1.559 1.727) 2.636 2.697 ( -2.888 0.288 -1.484) 3.259 2.832 ( -3.190 3.306 1.617) 4.870 2.869 ( -0.325 1.295 -0.409) 1.396 3.006 ( -2.797 2.004 0.422) 3.466 3.123 ( -2.213 1.475 -6.624) 7.138 3.229 ( -3.148 -2.307 0.863) 3.997 3.237 ( -4.921 0.485 -1.556) 5.184 3.393 ( -7.248 -2.642 0.223) 7.718 3.424 ( -2.679 -1.777 -1.667) 3.621 3.503 ( 0.586 -4.271 -0.293) 4.321 3.556 ( -2.798 0.891 0.114) 2.939 3.645 ( -4.843 0.442 -0.952) 4.955 3.717 ( 1.711 0.477 2.632) 3.176 3.734 ( -2.237 -1.229 -2.828) 3.810 3.887 ( -1.047 -4.305 0.659) 4.479 4.032 ( 0.568 0.668 0.724) 1.137 4.112 ( -2.773 -2.879 -0.921) 4.102 4.342 ( 1.229 3.187 -1.365) 3.679 4.540 ( 0.492 7.873 -5.977) 9.897 4.671 ( -2.416 0.228 -0.545) 2.487 4.936 ( 2.503 -2.155 0.250) 3.313 4.936 ( -4.495 3.602 1.360) 5.919 4.996 ( 1.506 1.499 0.999) 2.348 5.303 ( -1.023 0.922 0.825) 1.606 5.523 ( 0.064 -5.859 3.766) 6.965 5.611 ( -0.709 -1.945 2.194) 3.017 5.938 ( -0.342 -7.617 0.452) 7.638 6.246 ( -4.990 5.494 0.592) 7.446 6.284 ( -7.311 7.842 -0.473) 10.732 6.820 ( -0.093 -1.134 1.682) 2.031 6.880 ( -1.425 -0.544 1.894) 2.432 7.453 ( -5.698 1.425 1.993) 6.202 7.536 ( 2.374 0.541 2.640) 3.591 8.151 ( -10.434 -2.088 -1.851) 10.800 8.307 ( -9.014 -2.040 -2.506) 9.575 8.533 ( -0.704 1.120 0.442) 1.395 8.805 ( -1.450 10.120 -3.658) 10.858 8.939 ( 3.918 -10.868 1.040) 11.600 9.314 ( 3.754 0.764 -2.627) 4.646 9.734 ( 10.695 1.229 1.782) 10.912 9.909 ( 9.883 -4.094 -1.415) 10.791 10.240 ( 16.195 -0.132 0.138) 16.197 10.282 ( 16.603 0.261 -0.322) 16.608 10.997 ( -1.177 0.433 -0.834) 1.506 11.078 ( -0.783 2.620 -0.975) 2.903 11.137 ( -1.163 -0.670 -0.995) 1.670 11.314 ( -2.347 -2.407 2.757) 4.348 11.952 ( -13.634 1.775 0.004) 13.749 11.988 ( -13.439 2.636 -0.147) 13.696 12.814 ( -0.150 0.498 -1.269) 1.372 12.960 ( 0.304 -5.270 -1.831) 5.587 13.256 ( 3.589 8.575 1.026) 9.352 13.613 ( 7.424 -2.582 2.741) 8.325 14.795 ( -5.061 0.484 1.065) 5.194 14.878 ( -1.029 -1.739 -0.623) 2.115 14.923 ( -0.732 0.771 -1.245) 1.638 15.025 ( -0.076 -1.383 1.024) 1.723 15.339 ( -2.171 -0.735 0.933) 2.475 15.356 ( -1.597 -1.819 0.158) 2.426 15.635 ( -0.761 0.583 0.967) 1.362 15.697 ( -2.460 -0.894 -1.724) 3.134 15.871 ( -6.642 0.781 -0.208) 6.691 15.922 ( -10.891 -0.691 1.586) 11.027 16.769 ( 0.793 0.564 0.167) 0.988 16.833 ( 0.606 -0.620 -3.232) 3.346 16.889 ( 3.834 3.146 0.092) 4.961 17.093 ( 3.564 -2.229 1.337) 4.411 17.315 ( 18.971 2.220 0.378) 19.104 17.640 ( 16.520 -7.820 0.312) 18.281 26.409 ( 0.207 -0.107 -0.981) 1.009 26.483 ( -0.076 -1.813 1.671) 2.467 26.516 ( 1.481 0.535 -0.831) 1.781 26.611 ( 0.513 -1.166 -0.906) 1.563 26.992 ( 0.447 2.562 2.457) 3.578 27.178 ( -1.113 1.127 -3.285) 3.647 27.200 ( -5.941 13.879 3.501) 15.498 27.665 ( -3.252 -0.322 -0.163) 3.272 28.204 ( 0.315 2.876 1.990) 3.512 28.661 ( -3.467 -6.905 2.213) 8.037 28.920 ( -6.027 1.367 6.380) 8.882 29.027 ( -2.488 -1.596 -4.200) 5.136 29.145 ( 2.219 1.931 0.443) 2.975 29.244 ( -3.097 1.799 2.617) 4.436 29.709 ( -10.722 0.448 1.295) 10.809 30.027 ( 0.560 -10.607 -7.934) 13.258 ======================= Grid point 12 (9/63) ======================= q-point: ( 0.38 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.630 ( 4.829 4.012 -2.245) 6.668 0.760 ( 3.063 1.322 0.020) 3.336 0.840 ( 0.544 0.853 1.084) 1.483 0.900 ( -1.266 -1.281 -0.372) 1.839 0.989 ( 1.907 2.999 -1.202) 3.752 1.023 ( 0.019 1.591 -0.780) 1.772 1.133 ( 6.732 -3.491 1.827) 7.801 1.193 ( 1.695 -0.249 -1.739) 2.441 1.200 ( -1.021 -1.117 -0.289) 1.540 1.244 ( 4.281 1.300 -0.607) 4.515 1.278 ( -1.044 -1.518 4.073) 4.470 1.358 ( -0.116 1.126 -0.898) 1.445 1.424 ( 3.492 2.833 -2.583) 5.186 1.437 ( 0.829 3.276 1.417) 3.665 1.461 ( 0.245 -4.002 0.816) 4.092 1.637 ( 6.179 1.277 0.183) 6.312 1.698 ( 4.743 -1.829 -3.471) 6.156 1.786 ( 1.624 0.169 1.531) 2.238 1.827 ( -5.049 0.713 -3.303) 6.076 1.865 ( 2.931 -1.010 2.241) 3.825 1.874 ( 2.125 -4.041 1.282) 4.742 1.990 ( 5.115 -0.766 -0.509) 5.197 2.039 ( -0.364 -3.283 0.697) 3.376 2.134 ( 9.039 -0.292 2.207) 9.309 2.157 ( 3.535 -0.502 0.618) 3.623 2.254 ( 2.360 -4.376 -3.199) 5.912 2.304 ( 15.879 5.467 1.690) 16.879 2.456 ( 5.821 2.237 1.305) 6.371 2.648 ( 1.164 1.610 1.684) 2.605 2.695 ( 1.897 2.178 -0.509) 2.932 2.837 ( 3.957 2.975 -1.534) 5.183 2.880 ( 0.447 -0.118 -0.885) 0.999 2.977 ( -0.491 -0.216 0.526) 0.752 3.052 ( -3.346 2.688 -4.518) 6.231 3.152 ( -3.299 2.123 -2.313) 4.554 3.170 ( -2.926 -1.987 0.766) 3.619 3.223 ( -7.338 -1.116 1.143) 7.510 3.361 ( -4.348 -2.863 0.202) 5.210 3.474 ( -1.724 -2.309 0.667) 2.958 3.491 ( -3.985 -0.947 -0.254) 4.104 3.574 ( -2.221 0.724 -0.069) 2.337 3.649 ( -4.046 1.026 -1.760) 4.529 3.799 ( 4.066 1.243 2.819) 5.101 3.864 ( -1.434 -1.749 0.829) 2.408 4.009 ( -4.543 0.134 -2.573) 5.222 4.023 ( -2.810 1.429 -0.770) 3.245 4.363 ( 1.188 0.728 -0.455) 1.466 4.571 ( 2.633 3.982 -3.151) 5.720 4.629 ( -1.382 1.411 -0.983) 2.206 4.836 ( -5.205 4.447 1.377) 6.983 4.996 ( 3.239 -2.650 -0.446) 4.209 5.033 ( 1.639 -1.182 0.175) 2.028 5.292 ( -0.238 1.198 1.276) 1.766 5.519 ( -1.434 -4.679 2.729) 5.604 5.611 ( 0.769 -0.935 1.708) 2.093 5.911 ( -2.082 -6.870 0.464) 7.194 6.130 ( -4.269 5.279 -1.569) 6.968 6.187 ( -3.885 4.146 0.952) 5.761 6.826 ( 0.182 -2.215 1.457) 2.658 6.867 ( -0.123 -2.027 0.706) 2.150 7.347 ( -4.181 3.580 0.433) 5.521 7.600 ( 2.630 -1.574 1.909) 3.610 7.960 ( -7.479 -1.549 -0.712) 7.671 8.151 ( -5.668 -2.227 -1.961) 6.398 8.522 ( -0.480 1.877 0.061) 1.938 8.785 ( -0.317 12.156 -0.804) 12.187 8.996 ( 1.719 -12.361 0.296) 12.484 9.372 ( 2.253 1.083 -0.528) 2.555 9.911 ( 6.340 1.217 0.295) 6.463 10.074 ( 6.199 -4.441 -0.980) 7.689 10.571 ( 15.098 1.191 1.321) 15.203 10.641 ( 18.463 -0.156 -0.815) 18.482 10.979 ( -0.577 -0.165 -1.495) 1.610 11.051 ( -1.007 0.474 -2.571) 2.802 11.148 ( 2.715 0.524 -0.476) 2.806 11.252 ( -5.051 -0.396 4.151) 6.550 11.652 ( -16.062 1.279 0.763) 16.131 11.735 ( -10.891 0.121 -1.236) 10.962 12.809 ( -0.181 0.211 -0.627) 0.686 12.947 ( -0.744 -5.763 -1.953) 6.130 13.334 ( 3.251 9.578 1.569) 10.236 13.745 ( 4.833 -2.882 1.882) 5.933 14.712 ( -3.045 0.833 0.880) 3.277 14.857 ( -0.988 -3.096 -0.050) 3.250 14.931 ( 1.741 0.461 -2.030) 2.714 15.012 ( -1.438 -1.176 1.074) 2.146 15.307 ( -1.192 -1.592 0.534) 2.059 15.332 ( -0.901 -2.757 0.265) 2.913 15.606 ( -2.141 1.079 0.494) 2.448 15.650 ( -1.812 -0.516 -1.352) 2.320 15.766 ( -4.124 1.333 0.734) 4.396 15.779 ( -3.308 1.456 0.042) 3.615 16.788 ( 0.883 0.730 0.667) 1.326 16.830 ( -0.273 -0.270 -2.645) 2.673 16.961 ( 3.221 2.353 -0.088) 3.990 17.120 ( -0.485 -1.517 1.211) 2.001 17.622 ( 11.009 2.478 0.233) 11.287 17.895 ( 8.923 -4.071 -0.220) 9.810 26.422 ( 1.194 0.146 -1.009) 1.570 26.474 ( -1.010 -1.129 1.408) 2.068 26.549 ( 1.760 0.761 -0.946) 2.138 26.618 ( 0.187 -0.779 -0.470) 0.928 27.002 ( 0.126 2.092 1.654) 2.670 27.125 ( -1.350 10.787 -1.519) 10.977 27.170 ( -0.912 -1.641 2.034) 2.768 27.606 ( -2.445 -2.186 0.008) 3.280 28.213 ( 0.230 2.943 1.167) 3.174 28.614 ( -0.818 -5.800 0.506) 5.879 28.795 ( -6.700 1.268 1.873) 7.071 28.914 ( -6.502 1.073 -2.088) 6.913 29.146 ( -0.546 2.150 1.859) 2.894 29.283 ( 4.539 -0.221 -2.707) 5.289 29.522 ( -7.854 2.157 3.145) 8.731 30.019 ( -0.215 -9.631 -3.246) 10.166 ======================= Grid point 13 (10/63) ======================= q-point: (-0.50 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 53 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.677 ( 0.000 3.128 -0.000) 3.128 0.799 ( 0.000 0.436 -0.000) 0.436 0.835 ( 0.000 0.928 0.000) 0.928 0.883 ( 0.000 -1.336 0.000) 1.336 1.000 ( 0.000 3.926 0.000) 3.926 1.025 ( 0.000 2.124 0.000) 2.124 1.179 ( 0.000 -1.732 -0.000) 1.732 1.190 ( 0.000 -2.292 0.000) 2.292 1.219 ( 0.000 -2.206 0.000) 2.206 1.267 ( 0.000 1.427 -0.000) 1.427 1.323 ( 0.000 0.639 -0.000) 0.639 1.350 ( 0.000 -3.455 0.000) 3.455 1.446 ( 0.000 3.800 0.000) 3.800 1.480 ( 0.000 0.637 -0.000) 0.637 1.543 ( 0.000 3.961 0.000) 3.961 1.588 ( 0.000 -1.478 0.000) 1.478 1.697 ( 0.000 0.577 -0.000) 0.577 1.797 ( 0.000 2.810 0.000) 2.810 1.837 ( -0.000 -0.626 0.000) 0.626 1.848 ( 0.000 -4.449 -0.000) 4.449 1.927 ( 0.000 -1.214 0.000) 1.214 2.017 ( 0.000 -6.392 -0.000) 6.392 2.066 ( 0.000 1.952 0.000) 1.952 2.139 ( 0.000 -5.847 0.000) 5.847 2.224 ( 0.000 1.634 0.000) 1.634 2.295 ( 0.000 -1.211 -0.000) 1.211 2.538 ( 0.000 2.032 0.000) 2.032 2.547 ( -0.000 0.764 -0.000) 0.764 2.645 ( 0.000 2.810 -0.000) 2.810 2.748 ( 0.000 -0.543 -0.000) 0.543 2.838 ( 0.000 2.333 -0.000) 2.333 2.900 ( 0.000 0.853 -0.000) 0.853 2.970 ( 0.000 -0.626 0.000) 0.626 3.048 ( -0.000 2.653 0.000) 2.653 3.075 ( 0.000 2.781 -0.000) 2.781 3.115 ( -0.000 3.376 0.000) 3.376 3.189 ( 0.000 -5.324 -0.000) 5.324 3.299 ( 0.000 -4.333 0.000) 4.333 3.438 ( 0.000 -0.402 -0.000) 0.402 3.469 ( 0.000 -1.824 0.000) 1.824 3.534 ( 0.000 1.554 -0.000) 1.554 3.595 ( 0.000 2.335 0.000) 2.335 3.841 ( 0.000 0.125 0.000) 0.125 3.860 ( 0.000 2.486 0.000) 2.486 3.963 ( 0.000 0.612 -0.000) 0.612 3.973 ( 0.000 1.518 0.000) 1.518 4.378 ( 0.000 -0.675 -0.000) 0.675 4.595 ( 0.000 -0.574 -0.000) 0.574 4.625 ( 0.000 2.925 -0.000) 2.925 4.771 ( 0.000 7.056 -0.000) 7.056 5.042 ( -0.000 -4.717 0.000) 4.717 5.043 ( 0.000 -0.345 -0.000) 0.345 5.293 ( 0.000 1.733 0.000) 1.733 5.500 ( 0.000 -3.507 -0.000) 3.507 5.627 ( 0.000 -1.626 -0.000) 1.626 5.884 ( 0.000 -6.272 0.000) 6.272 6.087 ( 0.000 5.093 0.000) 5.093 6.144 ( 0.000 2.444 0.000) 2.444 6.828 ( 0.000 -2.419 0.000) 2.419 6.870 ( 0.000 -2.940 -0.000) 2.940 7.304 ( 0.000 4.573 0.000) 4.573 7.630 ( 0.000 -2.365 0.000) 2.365 7.881 ( 0.000 -1.243 -0.000) 1.243 8.090 ( 0.000 -2.254 0.000) 2.254 8.517 ( 0.000 2.089 0.000) 2.089 8.782 ( 0.000 12.884 -0.000) 12.884 9.012 ( 0.000 -12.883 0.000) 12.883 9.395 ( 0.000 1.342 0.000) 1.342 9.976 ( 0.000 1.120 -0.000) 1.120 10.137 ( 0.000 -4.562 -0.000) 4.562 10.748 ( 0.000 1.363 0.000) 1.363 10.892 ( 0.000 -3.451 0.000) 3.451 10.990 ( 0.000 1.578 0.000) 1.578 11.028 ( 0.000 1.878 0.000) 1.878 11.135 ( 0.000 1.413 -0.000) 1.413 11.252 ( 0.000 -1.462 0.000) 1.462 11.404 ( 0.000 2.838 0.000) 2.838 11.613 ( 0.000 -1.768 -0.000) 1.768 12.806 ( 0.000 0.068 -0.000) 0.068 12.936 ( 0.000 -5.718 -0.000) 5.718 13.370 ( 0.000 9.771 0.000) 9.771 13.797 ( 0.000 -2.956 0.000) 2.956 14.682 ( 0.000 0.826 0.000) 0.826 14.846 ( 0.000 -3.426 0.000) 3.426 14.966 ( 0.000 -0.327 0.000) 0.327 14.981 ( 0.000 -0.337 -0.000) 0.337 15.295 ( 0.000 -2.063 0.000) 2.063 15.323 ( 0.000 -3.059 -0.000) 3.059 15.579 ( 0.000 2.418 -0.000) 2.418 15.628 ( 0.000 -0.231 0.000) 0.231 15.731 ( 0.000 1.104 -0.000) 1.104 15.748 ( 0.000 1.495 0.000) 1.495 16.801 ( 0.000 0.567 -0.000) 0.567 16.820 ( 0.000 0.080 0.000) 0.080 17.000 ( 0.000 1.585 0.000) 1.585 17.107 ( 0.000 -0.928 -0.000) 0.928 17.734 ( 0.000 2.526 0.000) 2.526 17.985 ( 0.000 -3.205 0.000) 3.205 26.444 ( 0.000 -0.177 -0.000) 0.177 26.454 ( 0.000 -0.449 0.000) 0.449 26.569 ( 0.000 0.742 -0.000) 0.742 26.618 ( 0.000 -0.368 0.000) 0.368 27.005 ( 0.000 1.861 -0.000) 1.861 27.112 ( 0.000 9.025 0.000) 9.025 27.161 ( 0.000 -1.647 -0.000) 1.647 27.579 ( 0.000 -2.855 0.000) 2.855 28.216 ( 0.000 3.004 -0.000) 3.004 28.627 ( 0.000 -7.863 0.000) 7.863 28.703 ( 0.000 3.230 0.000) 3.230 28.838 ( 0.000 2.120 0.000) 2.120 29.143 ( 0.000 1.820 -0.000) 1.820 29.352 ( 0.000 -2.881 0.000) 2.881 29.424 ( 0.000 5.151 -0.000) 5.151 30.013 ( 0.000 -9.254 -0.000) 9.254 ======================= Grid point 18 (11/63) ======================= q-point: ( 0.00 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.562 ( 0.000 10.602 0.000) 10.602 0.647 ( 0.000 1.959 0.000) 1.959 0.729 ( 0.000 14.328 0.000) 14.328 0.876 ( 0.000 0.921 0.000) 0.921 0.907 ( 0.000 0.642 0.000) 0.642 0.959 ( 0.000 0.207 0.000) 0.207 1.015 ( 0.000 -6.169 0.000) 6.169 1.023 ( 0.000 3.544 0.000) 3.544 1.037 ( 0.000 3.301 0.000) 3.301 1.040 ( 0.000 -3.362 0.000) 3.362 1.141 ( 0.000 -6.311 0.000) 6.311 1.145 ( 0.000 -6.574 0.000) 6.574 1.245 ( 0.000 -0.179 0.000) 0.179 1.251 ( 0.000 -1.403 0.000) 1.403 1.321 ( 0.000 12.626 0.000) 12.626 1.322 ( 0.000 1.788 0.000) 1.788 1.358 ( 0.000 -0.336 0.000) 0.336 1.456 ( 0.000 -2.750 0.000) 2.750 1.565 ( 0.000 9.903 0.000) 9.903 1.597 ( 0.000 2.202 0.000) 2.202 1.646 ( 0.000 -2.952 0.000) 2.952 1.806 ( 0.000 1.311 0.000) 1.311 1.816 ( 0.000 -5.317 0.000) 5.317 1.896 ( 0.000 -11.111 0.000) 11.111 2.018 ( 0.000 3.742 0.000) 3.742 2.107 ( 0.000 -6.088 0.000) 6.088 2.234 ( 0.000 3.578 0.000) 3.578 2.270 ( 0.000 -0.201 0.000) 0.201 2.685 ( 0.000 4.320 0.000) 4.320 2.760 ( 0.000 -3.639 0.000) 3.639 2.937 ( 0.000 2.732 0.000) 2.732 2.978 ( 0.000 -1.826 0.000) 1.826 3.172 ( 0.000 1.414 0.000) 1.414 3.194 ( 0.000 -0.806 0.000) 0.806 3.237 ( 0.000 3.311 0.000) 3.311 3.282 ( 0.000 -1.609 0.000) 1.609 3.437 ( 0.000 -2.506 0.000) 2.506 3.448 ( 0.000 -3.073 0.000) 3.073 3.508 ( 0.000 1.775 0.000) 1.775 3.536 ( 0.000 -1.704 0.000) 1.704 3.636 ( 0.000 1.858 0.000) 1.858 3.731 ( 0.000 -6.710 0.000) 6.710 3.823 ( 0.000 2.834 0.000) 2.834 3.904 ( 0.000 4.877 0.000) 4.877 3.910 ( 0.000 -4.751 0.000) 4.751 4.007 ( 0.000 -5.260 0.000) 5.260 4.477 ( 0.000 10.001 0.000) 10.001 4.645 ( 0.000 -6.468 0.000) 6.468 4.808 ( 0.000 2.924 0.000) 2.924 4.844 ( 0.000 -0.811 0.000) 0.811 5.063 ( 0.000 5.792 0.000) 5.792 5.123 ( 0.000 2.766 0.000) 2.766 5.364 ( 0.000 -6.106 0.000) 6.106 5.373 ( 0.000 -3.052 0.000) 3.052 5.594 ( 0.000 6.869 0.000) 6.869 5.762 ( 0.000 -8.384 0.000) 8.384 6.477 ( 0.000 7.673 0.000) 7.673 6.607 ( 0.000 -5.018 0.000) 5.018 6.870 ( 0.000 3.020 0.000) 3.020 6.934 ( 0.000 -3.858 0.000) 3.858 7.588 ( 0.000 3.910 0.000) 3.910 7.636 ( 0.000 -1.028 0.000) 1.028 8.403 ( 0.000 1.767 0.000) 1.767 8.438 ( 0.000 -1.488 0.000) 1.488 8.604 ( 0.000 0.053 0.000) 0.053 8.624 ( 0.000 -1.637 0.000) 1.637 9.142 ( 0.000 8.953 0.000) 8.953 9.298 ( 0.000 -6.390 0.000) 6.390 9.323 ( 0.000 8.259 0.000) 8.259 9.494 ( 0.000 -8.485 0.000) 8.485 9.869 ( 0.000 -0.010 0.000) 0.010 9.877 ( 0.000 -0.849 0.000) 0.849 11.105 ( 0.000 2.601 0.000) 2.601 11.150 ( 0.000 -1.796 0.000) 1.796 11.174 ( 0.000 3.533 0.000) 3.533 11.262 ( 0.000 -5.063 0.000) 5.063 12.352 ( 0.000 5.534 0.000) 5.534 12.464 ( 0.000 -5.455 0.000) 5.455 12.828 ( 0.000 0.795 0.000) 0.795 12.849 ( 0.000 -1.371 0.000) 1.371 13.279 ( 0.000 4.135 0.000) 4.135 13.355 ( 0.000 -3.366 0.000) 3.366 14.915 ( 0.000 0.053 0.000) 0.053 14.927 ( 0.000 -1.097 0.000) 1.097 14.989 ( 0.000 0.633 0.000) 0.633 14.997 ( 0.000 -0.146 0.000) 0.146 15.461 ( 0.000 3.105 0.000) 3.105 15.523 ( 0.000 -2.988 0.000) 2.988 15.681 ( 0.000 2.115 0.000) 2.115 15.726 ( 0.000 -2.285 0.000) 2.285 16.220 ( 0.000 0.035 0.000) 0.035 16.221 ( 0.000 -0.116 0.000) 0.116 16.582 ( 0.000 0.306 0.000) 0.306 16.588 ( 0.000 -0.277 0.000) 0.277 16.786 ( 0.000 0.835 0.000) 0.835 16.805 ( 0.000 -0.987 0.000) 0.987 16.875 ( 0.000 0.403 0.000) 0.403 16.880 ( 0.000 -0.143 0.000) 0.143 26.413 ( 0.000 -0.235 0.000) 0.235 26.422 ( 0.000 -1.221 0.000) 1.221 26.525 ( 0.000 2.694 0.000) 2.694 26.575 ( 0.000 -2.186 0.000) 2.186 27.050 ( 0.000 4.262 0.000) 4.262 27.129 ( 0.000 -3.535 0.000) 3.535 27.828 ( 0.000 4.823 0.000) 4.823 27.933 ( 0.000 -5.567 0.000) 5.567 28.385 ( 0.000 5.027 0.000) 5.027 28.469 ( 0.000 -3.364 0.000) 3.364 29.003 ( 0.000 0.883 0.000) 0.883 29.009 ( 0.000 0.040 0.000) 0.040 29.079 ( 0.000 2.423 0.000) 2.423 29.162 ( 0.000 -5.716 0.000) 5.716 29.910 ( 0.000 6.973 0.000) 6.973 30.034 ( 0.000 -5.365 0.000) 5.365 ======================= Grid point 19 (12/63) ======================= q-point: ( 0.12 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.583 ( 2.187 9.343 -1.818) 9.766 0.661 ( 2.089 3.477 -1.332) 4.269 0.740 ( 3.661 10.199 -0.767) 10.863 0.897 ( 3.077 -2.299 -0.123) 3.843 0.932 ( -1.981 -0.764 0.583) 2.202 0.948 ( -1.289 -1.143 0.092) 1.725 1.018 ( 1.806 1.940 0.498) 2.697 1.078 ( 3.719 0.781 -2.459) 4.527 1.112 ( 3.796 -4.080 2.939) 6.301 1.156 ( 8.031 -2.172 1.194) 8.405 1.195 ( 4.599 -3.588 2.588) 6.381 1.225 ( 8.438 -4.156 1.199) 9.482 1.268 ( 3.185 1.657 -0.008) 3.590 1.302 ( 3.841 -0.069 -0.494) 3.873 1.348 ( 5.106 0.325 1.596) 5.360 1.381 ( 3.193 0.042 -1.091) 3.375 1.462 ( 12.280 8.111 -0.435) 14.724 1.508 ( 3.280 -0.090 -0.426) 3.309 1.583 ( -0.910 1.080 0.925) 1.689 1.613 ( 1.246 -0.043 -1.836) 2.219 1.636 ( 5.346 7.408 -0.598) 9.155 1.824 ( 0.749 -4.074 -0.541) 4.177 1.846 ( 3.973 1.581 0.417) 4.296 1.961 ( 5.729 -9.247 0.302) 10.882 2.035 ( 1.642 2.356 -1.091) 3.072 2.103 ( -0.328 -5.093 -0.838) 5.172 2.215 ( -1.261 4.026 0.217) 4.224 2.274 ( 0.898 -2.072 -0.575) 2.330 2.681 ( -0.494 3.910 -0.295) 3.953 2.749 ( -1.809 -2.887 -0.706) 3.479 2.915 ( -1.469 2.186 0.179) 2.640 2.940 ( -2.868 -0.313 -0.093) 2.887 3.138 ( -3.758 2.586 0.748) 4.623 3.177 ( -1.849 -0.743 -2.617) 3.289 3.248 ( -0.213 1.161 1.051) 1.580 3.282 ( -0.419 -2.487 -0.820) 2.652 3.403 ( -1.845 -1.824 0.711) 2.690 3.420 ( -2.282 -2.980 0.188) 3.758 3.483 ( -1.570 2.587 -0.423) 3.055 3.556 ( 0.507 -3.720 -0.084) 3.755 3.651 ( 1.649 1.455 -1.074) 2.447 3.717 ( -1.333 -4.785 -1.867) 5.307 3.802 ( -2.616 2.302 0.566) 3.530 3.844 ( -2.625 0.121 -1.251) 2.910 3.976 ( 3.139 -0.412 2.201) 3.856 4.029 ( 1.931 -4.580 1.110) 5.093 4.478 ( 0.113 9.255 -0.394) 9.264 4.630 ( -1.267 -5.118 -1.715) 5.544 4.769 ( -2.254 5.069 -3.647) 6.639 4.852 ( 0.166 -3.069 -0.334) 3.092 5.045 ( -1.258 4.444 -3.711) 5.925 5.092 ( -3.061 1.807 0.787) 3.640 5.360 ( -0.984 -1.271 2.407) 2.894 5.384 ( 0.875 -4.365 4.449) 6.294 5.604 ( 0.761 5.517 0.836) 5.632 5.766 ( 0.317 -8.847 0.241) 8.856 6.443 ( -3.279 6.701 -0.363) 7.469 6.540 ( -6.146 -2.265 -1.684) 6.763 6.854 ( -1.727 2.313 1.272) 3.154 6.900 ( -2.862 -2.236 1.783) 4.045 7.543 ( -3.100 3.660 4.284) 6.431 7.591 ( -4.238 -1.065 2.792) 5.186 8.336 ( -6.492 2.308 -3.144) 7.573 8.406 ( -5.286 -4.013 -2.425) 7.066 8.589 ( -0.883 2.348 1.277) 2.815 8.654 ( 3.910 -4.366 -0.845) 5.921 9.080 ( -3.841 8.653 1.170) 9.540 9.215 ( -0.783 -4.328 -1.470) 4.637 9.535 ( 12.493 3.022 0.134) 12.854 9.622 ( 10.482 -5.194 -2.410) 11.944 9.972 ( 10.142 0.469 0.052) 10.153 9.989 ( 10.709 -1.125 0.151) 10.769 11.078 ( -2.325 2.651 -0.977) 3.659 11.127 ( -1.889 -1.781 -2.495) 3.601 11.172 ( -0.338 3.546 2.033) 4.102 11.259 ( -0.477 -4.772 1.215) 4.947 12.244 ( -9.917 3.753 0.153) 10.604 12.304 ( -13.163 -1.662 0.012) 13.267 12.836 ( 0.521 1.428 -1.452) 2.102 12.875 ( 1.327 -2.483 -1.495) 3.188 13.318 ( 3.632 5.187 0.721) 6.373 13.409 ( 5.018 -3.911 1.331) 6.500 14.883 ( -2.653 0.432 -0.277) 2.702 14.899 ( -2.903 -1.110 0.018) 3.108 14.973 ( -1.072 1.387 0.323) 1.782 14.998 ( -0.481 -1.076 0.452) 1.262 15.401 ( -4.597 1.152 0.418) 4.757 15.419 ( -6.419 -0.552 -0.057) 6.443 15.674 ( -0.763 1.903 -0.077) 2.052 15.713 ( -1.370 -1.926 -0.658) 2.454 16.051 ( -9.960 0.788 0.161) 9.992 16.082 ( -9.557 -2.525 1.284) 9.968 16.770 ( 1.878 0.907 -0.850) 2.252 16.790 ( 3.202 -0.990 -1.578) 3.704 16.852 ( 8.294 2.157 -0.032) 8.570 16.888 ( 13.198 -1.231 0.073) 13.256 16.988 ( 13.673 1.356 1.221) 13.794 17.044 ( 20.049 -4.791 1.842) 20.695 26.410 ( -0.023 0.386 -0.221) 0.445 26.431 ( 0.520 -1.756 1.039) 2.106 26.529 ( 0.496 2.415 -0.770) 2.583 26.575 ( 0.160 -2.077 -0.787) 2.226 27.053 ( 0.085 4.094 1.460) 4.347 27.130 ( -0.112 -3.502 1.307) 3.739 27.743 ( -13.041 4.911 -6.551) 15.399 27.765 ( -6.400 1.468 -1.731) 6.791 28.319 ( -2.298 8.750 4.651) 10.172 28.511 ( -0.694 -10.061 7.008) 12.281 28.996 ( -0.407 0.788 1.411) 1.667 29.014 ( 0.053 -1.027 -0.495) 1.141 29.131 ( 3.650 3.909 0.198) 5.352 29.233 ( 3.802 -6.019 1.321) 7.241 29.862 ( -4.009 3.723 -3.966) 6.758 29.950 ( -7.167 -4.607 -1.818) 8.712 ======================= Grid point 20 (13/63) ======================= q-point: ( 0.25 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 101 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.648 ( 4.448 6.815 -3.195) 8.742 0.725 ( 3.902 0.406 -1.807) 4.319 0.848 ( 5.049 6.279 -0.898) 8.107 0.891 ( -0.536 0.198 1.166) 1.298 0.929 ( 0.858 -1.117 0.785) 1.613 0.983 ( 3.749 -3.416 -2.087) 5.484 1.052 ( 1.562 2.418 -0.099) 2.881 1.131 ( 1.545 -3.927 0.736) 4.283 1.180 ( 3.686 -0.276 3.054) 4.795 1.217 ( 0.776 -3.395 3.176) 4.714 1.271 ( 0.233 3.233 -0.630) 3.302 1.318 ( 3.396 -1.369 -2.037) 4.190 1.380 ( 3.489 1.618 -1.457) 4.113 1.418 ( -0.320 -0.328 0.165) 0.487 1.461 ( 10.844 1.267 -0.659) 10.938 1.503 ( -0.553 0.190 0.809) 0.998 1.566 ( 9.365 -1.810 2.847) 9.954 1.579 ( 9.544 -3.253 -0.551) 10.098 1.697 ( 3.668 3.239 0.560) 4.925 1.759 ( 7.978 -1.648 -0.522) 8.163 1.824 ( 11.262 1.994 -1.692) 11.561 1.862 ( 7.678 -1.921 -0.554) 7.934 1.970 ( 5.756 4.128 1.129) 7.172 2.036 ( -0.358 -0.840 0.480) 1.031 2.077 ( 2.147 -0.105 -1.129) 2.428 2.113 ( 3.944 -2.242 -1.973) 4.947 2.219 ( 2.895 4.463 1.597) 5.554 2.340 ( 6.581 -5.707 -0.493) 8.724 2.659 ( -1.231 2.162 1.262) 2.790 2.692 ( -2.604 -0.749 -0.392) 2.738 2.902 ( 0.267 2.763 -0.261) 2.788 2.910 ( 0.462 1.655 -0.231) 1.734 3.049 ( -4.511 2.792 0.359) 5.317 3.114 ( -3.267 -3.376 -2.545) 5.343 3.201 ( -4.196 0.877 -1.006) 4.403 3.226 ( -4.101 -1.435 -1.155) 4.496 3.359 ( -4.342 -0.117 0.427) 4.365 3.391 ( -1.643 -2.175 -0.589) 2.789 3.467 ( -0.183 1.361 0.914) 1.650 3.533 ( -2.690 -3.994 -0.750) 4.873 3.645 ( -3.180 1.422 0.505) 3.520 3.690 ( -0.734 -2.527 -1.857) 3.221 3.753 ( -0.124 2.806 0.884) 2.945 3.815 ( -0.001 -3.057 0.022) 3.057 4.029 ( 1.455 0.128 0.567) 1.567 4.058 ( 0.023 -2.452 0.127) 2.456 4.472 ( -0.805 7.900 -0.541) 7.959 4.596 ( -1.682 -3.438 -1.691) 4.184 4.730 ( -0.854 6.246 -3.132) 7.039 4.853 ( 0.237 -5.628 -1.428) 5.812 5.007 ( -2.299 2.692 -2.847) 4.543 5.028 ( -1.887 0.816 -1.192) 2.376 5.344 ( -0.959 2.532 4.024) 4.850 5.410 ( 0.611 -4.600 4.508) 6.470 5.620 ( 0.542 4.350 1.255) 4.559 5.769 ( -0.218 -9.039 0.592) 9.061 6.352 ( -5.730 4.325 -0.434) 7.192 6.385 ( -8.246 1.648 -0.444) 8.421 6.818 ( -1.665 0.923 1.639) 2.512 6.849 ( -2.293 -1.973 1.455) 3.357 7.493 ( -3.693 2.233 2.875) 5.185 7.530 ( -1.025 -1.240 2.624) 3.078 8.159 ( -9.675 2.887 -1.816) 10.259 8.240 ( -9.128 -4.401 -2.175) 10.365 8.595 ( 0.569 4.868 0.287) 4.909 8.726 ( 2.884 -8.378 -1.269) 8.951 9.042 ( -0.335 11.256 1.539) 11.366 9.238 ( 2.456 -7.734 0.317) 8.121 9.773 ( 10.807 2.535 -1.116) 11.156 9.832 ( 10.150 -3.445 -2.602) 11.030 10.251 ( 17.030 1.079 0.301) 17.067 10.274 ( 17.041 -0.989 0.144) 17.070 11.027 ( -2.186 2.286 -1.948) 3.715 11.075 ( -2.445 -2.186 -3.342) 4.683 11.171 ( -0.120 3.541 2.591) 4.389 11.248 ( -0.954 -3.907 2.550) 4.762 11.995 ( -14.488 2.047 -0.109) 14.632 12.018 ( -14.877 0.050 -0.098) 14.878 12.833 ( -0.388 1.505 -1.910) 2.462 12.878 ( -0.461 -3.107 -2.316) 3.903 13.415 ( 5.403 7.215 1.970) 9.227 13.537 ( 6.736 -5.035 2.496) 8.772 14.810 ( -4.198 1.125 0.662) 4.396 14.840 ( -2.875 -1.848 0.204) 3.423 14.948 ( -0.851 1.741 -0.941) 2.154 14.988 ( -0.491 -2.152 -0.058) 2.208 15.325 ( -2.936 -0.378 0.992) 3.122 15.329 ( -2.888 -0.767 0.599) 3.047 15.651 ( -1.372 1.028 -0.277) 1.737 15.675 ( -2.035 -1.262 -1.149) 2.656 15.890 ( -6.333 0.988 0.321) 6.418 15.908 ( -7.518 -0.803 0.765) 7.599 16.789 ( 0.971 1.299 -0.864) 1.837 16.815 ( 0.823 -1.184 -2.141) 2.581 16.961 ( 3.828 3.824 0.682) 5.454 17.035 ( 3.864 -3.471 1.077) 5.304 17.379 ( 19.660 4.331 0.444) 20.137 17.489 ( 19.959 -6.740 0.521) 21.072 26.415 ( 0.540 0.856 0.065) 1.014 26.443 ( 0.398 -1.896 1.085) 2.220 26.544 ( 1.243 1.921 -1.193) 2.580 26.582 ( 0.741 -1.790 -1.130) 2.243 27.057 ( -0.054 3.648 1.965) 4.144 27.128 ( -0.429 -3.300 1.668) 3.722 27.494 ( -9.387 11.237 -3.373) 15.026 27.634 ( -6.223 -3.524 -2.153) 7.469 28.305 ( -0.503 7.448 4.075) 8.505 28.485 ( -2.172 -9.875 4.808) 11.196 28.962 ( -3.906 2.282 0.506) 4.552 28.999 ( -2.131 -1.459 -2.640) 3.693 29.192 ( 2.102 2.976 0.943) 3.764 29.247 ( -1.775 -1.781 3.553) 4.353 29.735 ( -7.664 2.596 -1.392) 8.211 29.832 ( -2.661 -7.627 -4.759) 9.375 ======================= Grid point 21 (14/63) ======================= q-point: ( 0.38 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.726 ( 3.333 4.950 -2.401) 6.433 0.790 ( 2.777 -0.337 -2.173) 3.543 0.858 ( -1.138 1.391 1.412) 2.285 0.883 ( -0.961 -0.536 0.693) 1.300 1.025 ( 3.968 0.659 -0.406) 4.043 1.048 ( 2.652 -0.035 -0.533) 2.705 1.091 ( 3.013 0.799 0.477) 3.153 1.152 ( 0.628 -3.547 0.886) 3.710 1.198 ( -2.138 1.368 0.141) 2.542 1.243 ( 0.964 -2.119 1.348) 2.690 1.290 ( 2.716 2.565 -0.957) 3.857 1.342 ( -1.255 -2.627 1.978) 3.520 1.411 ( 3.297 -0.097 -1.685) 3.704 1.427 ( 2.451 -1.038 -1.673) 3.144 1.559 ( 4.127 7.355 -0.396) 8.443 1.657 ( 8.021 -0.426 -0.669) 8.061 1.680 ( 2.534 0.389 -1.131) 2.802 1.745 ( 1.163 -6.740 1.158) 6.937 1.794 ( 4.127 -0.136 2.033) 4.603 1.806 ( 3.490 -1.383 1.158) 3.929 1.891 ( -3.803 2.478 -1.366) 4.741 1.943 ( 0.589 -2.563 -2.793) 3.836 2.037 ( -0.770 2.127 0.035) 2.262 2.110 ( 0.149 -3.668 -0.373) 3.690 2.149 ( 6.953 0.228 2.951) 7.557 2.168 ( 7.256 -2.390 0.544) 7.659 2.422 ( 12.670 5.392 0.433) 13.776 2.481 ( 6.526 -0.367 -0.215) 6.539 2.676 ( 1.582 0.757 0.377) 1.794 2.693 ( 3.482 -1.260 -0.308) 3.716 2.923 ( 1.455 4.696 -0.632) 4.956 2.935 ( 0.987 3.977 -0.286) 4.108 2.984 ( -1.150 1.376 0.430) 1.844 3.064 ( -1.671 -6.154 -0.527) 6.399 3.108 ( -3.349 2.202 -2.917) 4.957 3.155 ( -2.058 -2.294 -1.504) 3.429 3.235 ( -7.372 1.458 1.544) 7.671 3.292 ( -7.639 -3.735 1.471) 8.630 3.451 ( -1.121 0.680 0.062) 1.312 3.475 ( -2.116 -1.159 -2.038) 3.158 3.603 ( -1.526 2.456 0.664) 2.967 3.650 ( -2.475 -1.448 -0.526) 2.916 3.811 ( 4.427 0.578 2.275) 5.011 3.832 ( 1.435 -1.432 1.232) 2.372 4.013 ( -3.094 0.515 -1.931) 3.683 4.029 ( -2.275 -0.729 -1.128) 2.642 4.451 ( -0.863 6.619 -0.644) 6.706 4.563 ( -1.125 -3.726 -0.917) 3.998 4.719 ( -0.046 6.303 -1.370) 6.450 4.847 ( -0.806 -5.468 -0.787) 5.583 4.974 ( 0.202 2.780 -1.398) 3.118 5.019 ( 0.558 -1.183 -1.708) 2.151 5.340 ( -0.150 3.413 2.838) 4.441 5.420 ( -0.283 -4.722 2.976) 5.589 5.631 ( 0.414 3.817 0.902) 3.944 5.758 ( -0.885 -7.966 0.493) 8.030 6.224 ( -5.652 3.377 -0.305) 6.591 6.246 ( -5.642 1.214 0.215) 5.775 6.800 ( -0.600 -0.225 1.253) 1.407 6.819 ( -0.858 -2.104 0.742) 2.390 7.432 ( -2.348 4.711 0.897) 5.340 7.529 ( 0.021 -4.859 1.318) 5.035 7.989 ( -6.280 4.010 -0.717) 7.485 8.082 ( -5.733 -4.546 -1.291) 7.429 8.601 ( 0.055 6.025 -0.148) 6.028 8.762 ( 1.080 -10.123 -0.976) 10.227 9.054 ( 0.807 13.625 1.498) 13.731 9.290 ( 2.167 -9.007 0.884) 9.306 9.943 ( 6.145 1.961 -1.038) 6.533 9.992 ( 5.963 -3.264 -1.685) 7.003 10.600 ( 16.058 1.633 1.054) 16.175 10.629 ( 17.081 -1.097 0.315) 17.119 10.996 ( -0.138 1.649 -3.053) 3.472 11.034 ( -0.439 -1.817 -4.252) 4.645 11.179 ( 0.468 2.337 3.024) 3.851 11.226 ( -2.077 -2.108 3.827) 4.837 11.689 ( -15.382 2.182 -0.210) 15.537 11.726 ( -13.600 -1.216 -0.676) 13.671 12.820 ( -0.479 1.098 -1.201) 1.696 12.859 ( -0.744 -3.069 -1.772) 3.621 13.517 ( 3.917 8.435 1.811) 9.474 13.659 ( 4.525 -5.790 1.942) 7.601 14.738 ( -2.764 1.915 0.584) 3.413 14.790 ( -1.990 -3.233 0.323) 3.810 14.947 ( 0.822 1.227 -1.258) 1.940 14.979 ( -0.421 -1.889 -0.164) 1.942 15.282 ( -1.629 -0.529 0.821) 1.899 15.290 ( -1.391 -1.302 0.564) 1.988 15.623 ( -1.197 0.684 -0.463) 1.455 15.637 ( -1.389 -0.724 -0.959) 1.837 15.793 ( -3.533 1.096 0.512) 3.734 15.801 ( -3.202 0.450 0.265) 3.245 16.805 ( 0.704 0.936 -0.433) 1.248 16.821 ( 0.213 -0.632 -1.693) 1.820 17.018 ( 1.929 3.155 0.485) 3.730 17.078 ( 0.622 -2.681 0.931) 2.905 17.693 ( 11.076 4.574 0.155) 11.984 17.796 ( 10.540 -5.485 0.020) 11.882 26.429 ( 0.799 0.680 -0.051) 1.050 26.449 ( -0.045 -1.270 0.838) 1.523 26.571 ( 1.475 1.370 -0.961) 2.231 26.598 ( 0.829 -1.243 -0.781) 1.686 27.057 ( -0.195 3.204 1.378) 3.493 27.120 ( -0.485 -2.970 1.100) 3.205 27.358 ( -4.133 10.967 -1.322) 11.794 27.528 ( -3.820 -6.003 -1.032) 7.190 28.306 ( 0.008 6.525 2.062) 6.843 28.461 ( -0.659 -8.524 2.223) 8.834 28.852 ( -5.962 3.522 -0.392) 6.935 28.908 ( -5.438 -1.703 -1.505) 5.894 29.200 ( -0.517 3.067 1.886) 3.637 29.257 ( 1.754 -2.363 0.384) 2.968 29.611 ( -4.105 7.069 -0.340) 8.182 29.798 ( -0.660 -11.231 -2.461) 11.517 ======================= Grid point 22 (15/63) ======================= q-point: (-0.50 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 53 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.759 ( 0.000 4.396 0.000) 4.396 0.825 ( 0.000 -2.170 -0.000) 2.170 0.836 ( -0.000 2.844 0.000) 2.844 0.871 ( 0.000 -0.295 0.000) 0.295 1.059 ( 0.000 1.386 0.000) 1.386 1.072 ( 0.000 2.562 0.000) 2.562 1.130 ( 0.000 -2.426 -0.000) 2.426 1.161 ( 0.000 -3.260 0.000) 3.260 1.172 ( 0.000 1.187 0.000) 1.187 1.234 ( 0.000 -4.192 0.000) 4.192 1.333 ( 0.000 1.214 -0.000) 1.214 1.337 ( 0.000 0.636 0.000) 0.636 1.468 ( 0.000 -0.972 0.000) 0.972 1.477 ( 0.000 -0.992 0.000) 0.992 1.627 ( 0.000 3.489 0.000) 3.489 1.632 ( -0.000 4.389 0.000) 4.389 1.714 ( 0.000 3.186 -0.000) 3.186 1.790 ( 0.000 -1.255 0.000) 1.255 1.801 ( 0.000 -1.464 -0.000) 1.464 1.844 ( 0.000 -4.243 0.000) 4.243 1.906 ( 0.000 -0.445 0.000) 0.445 1.913 ( -0.000 -1.945 -0.000) 1.945 2.030 ( 0.000 -2.142 0.000) 2.142 2.055 ( -0.000 -2.341 0.000) 2.341 2.251 ( 0.000 1.146 0.000) 1.146 2.273 ( 0.000 -1.045 -0.000) 1.045 2.565 ( 0.000 0.789 0.000) 0.789 2.568 ( -0.000 0.701 -0.000) 0.701 2.698 ( 0.000 2.059 0.000) 2.059 2.730 ( 0.000 -1.301 -0.000) 1.301 2.923 ( 0.000 5.662 0.000) 5.662 2.955 ( 0.000 4.194 0.000) 4.194 2.980 ( 0.000 0.826 -0.000) 0.826 3.050 ( 0.000 -5.779 -0.000) 5.779 3.082 ( 0.000 0.952 0.000) 0.952 3.129 ( 0.000 -1.286 -0.000) 1.286 3.164 ( -0.000 1.217 0.000) 1.217 3.191 ( 0.000 -4.293 0.000) 4.293 3.438 ( 0.000 0.383 0.000) 0.383 3.447 ( 0.000 -0.546 -0.000) 0.546 3.579 ( 0.000 2.571 -0.000) 2.571 3.616 ( 0.000 -0.571 -0.000) 0.571 3.860 ( 0.000 1.586 0.000) 1.586 3.885 ( 0.000 -0.304 0.000) 0.304 3.969 ( -0.000 -0.010 -0.000) 0.010 3.974 ( 0.000 -0.684 0.000) 0.684 4.442 ( 0.000 5.920 -0.000) 5.920 4.552 ( 0.000 -4.152 -0.000) 4.152 4.717 ( 0.000 6.164 -0.000) 6.164 4.834 ( 0.000 -3.392 -0.000) 3.392 4.984 ( 0.000 1.264 -0.000) 1.264 5.026 ( 0.000 -1.574 0.000) 1.574 5.343 ( 0.000 3.226 0.000) 3.226 5.418 ( 0.000 -4.239 -0.000) 4.239 5.638 ( 0.000 3.218 0.000) 3.218 5.747 ( 0.000 -6.973 0.000) 6.973 6.167 ( 0.000 2.382 0.000) 2.382 6.180 ( 0.000 0.880 0.000) 0.880 6.795 ( 0.000 -0.470 0.000) 0.470 6.814 ( 0.000 -2.219 0.000) 2.219 7.409 ( 0.000 5.717 0.000) 5.717 7.530 ( 0.000 -6.382 0.000) 6.382 7.924 ( 0.000 4.618 -0.000) 4.618 8.022 ( 0.000 -4.525 0.000) 4.525 8.601 ( 0.000 6.358 0.000) 6.358 8.771 ( 0.000 -10.724 -0.000) 10.724 9.065 ( 0.000 14.554 0.000) 14.554 9.314 ( 0.000 -9.287 0.000) 9.287 10.004 ( 0.000 1.749 -0.000) 1.749 10.052 ( 0.000 -3.331 0.000) 3.331 10.785 ( 0.000 2.221 0.000) 2.221 10.832 ( 0.000 -2.611 0.000) 2.611 11.022 ( 0.000 1.468 0.000) 1.468 11.041 ( 0.000 -0.343 -0.000) 0.343 11.171 ( 0.000 2.066 -0.000) 2.066 11.214 ( 0.000 -2.197 0.000) 2.197 11.479 ( 0.000 4.328 0.000) 4.328 11.560 ( 0.000 -3.542 0.000) 3.542 12.814 ( 0.000 0.873 -0.000) 0.873 12.849 ( 0.000 -2.955 -0.000) 2.955 13.560 ( 0.000 8.798 0.000) 8.798 13.708 ( 0.000 -6.003 0.000) 6.003 14.711 ( 0.000 2.132 0.000) 2.132 14.769 ( 0.000 -3.727 0.000) 3.727 14.962 ( 0.000 0.060 0.000) 0.060 14.970 ( -0.000 -0.628 0.000) 0.628 15.266 ( 0.000 -0.537 0.000) 0.537 15.276 ( 0.000 -1.510 -0.000) 1.510 15.610 ( 0.000 0.801 -0.000) 0.801 15.621 ( 0.000 -0.456 0.000) 0.456 15.759 ( 0.000 1.342 -0.000) 1.342 15.770 ( 0.000 0.362 0.000) 0.362 16.813 ( 0.000 0.550 -0.000) 0.550 16.820 ( 0.000 -0.153 0.000) 0.153 17.040 ( 0.000 2.181 0.000) 2.181 17.080 ( 0.000 -1.777 -0.000) 1.777 17.805 ( 0.000 4.478 0.000) 4.478 17.902 ( 0.000 -4.902 0.000) 4.902 26.442 ( 0.000 -0.020 0.000) 0.020 26.445 ( 0.000 -0.371 0.000) 0.371 26.587 ( 0.000 1.002 0.000) 1.002 26.606 ( 0.000 -0.807 0.000) 0.807 27.056 ( 0.000 3.038 -0.000) 3.038 27.116 ( 0.000 -2.802 0.000) 2.802 27.317 ( 0.000 10.298 -0.000) 10.298 27.487 ( 0.000 -6.587 0.000) 6.587 28.309 ( 0.000 6.366 -0.000) 6.366 28.461 ( 0.000 -8.468 0.000) 8.468 28.781 ( 0.000 4.065 0.000) 4.065 28.842 ( 0.000 -1.672 0.000) 1.672 29.198 ( 0.000 3.611 -0.000) 3.611 29.278 ( 0.000 -4.198 0.000) 4.198 29.570 ( 0.000 9.454 -0.000) 9.454 29.789 ( 0.000 -12.060 0.000) 12.060 ======================= Grid point 45 (16/63) ======================= q-point: ( 0.00 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.151 ( -17.559 0.000 10.085) 20.249 0.314 ( -1.108 0.000 14.493) 14.536 0.564 ( 0.910 0.000 23.155) 23.173 0.576 ( -0.422 0.000 3.824) 3.848 0.838 ( 1.966 0.000 -6.224) 6.528 0.938 ( -0.151 0.000 1.671) 1.678 0.968 ( 1.644 0.000 0.921) 1.884 0.981 ( 0.387 0.000 -4.450) 4.467 1.064 ( -2.252 0.000 0.433) 2.293 1.080 ( -4.758 0.000 0.983) 4.859 1.135 ( 4.701 0.000 -1.626) 4.975 1.253 ( 2.429 0.000 0.878) 2.583 1.259 ( 1.188 0.000 -0.222) 1.209 1.294 ( 2.970 0.000 -2.776) 4.065 1.341 ( -3.675 0.000 1.243) 3.879 1.398 ( -1.819 0.000 3.443) 3.894 1.419 ( 0.530 0.000 -0.356) 0.638 1.430 ( 2.490 0.000 -2.635) 3.626 1.555 ( 1.899 0.000 -2.531) 3.164 1.597 ( 0.421 0.000 2.528) 2.563 1.665 ( 1.083 0.000 -2.866) 3.064 1.841 ( -2.798 0.000 -1.552) 3.199 1.852 ( 3.007 0.000 0.634) 3.074 1.897 ( -1.421 0.000 2.173) 2.596 2.024 ( -3.472 0.000 -6.592) 7.451 2.104 ( -0.431 0.000 -1.348) 1.415 2.239 ( 0.211 0.000 2.642) 2.651 2.363 ( 0.167 0.000 0.931) 0.945 2.622 ( -1.199 0.000 6.430) 6.541 2.867 ( 0.759 0.000 -0.242) 0.797 2.963 ( 2.289 0.000 2.041) 3.067 3.021 ( -1.184 0.000 6.009) 6.124 3.081 ( -2.910 0.000 -2.324) 3.724 3.218 ( 8.280 0.000 2.531) 8.659 3.250 ( -1.771 0.000 -0.239) 1.787 3.450 ( -4.946 0.000 -3.408) 6.006 3.540 ( -0.104 0.000 -1.050) 1.055 3.548 ( -4.121 0.000 1.314) 4.325 3.635 ( -1.828 0.000 3.370) 3.834 3.644 ( -15.046 0.000 0.228) 15.048 3.707 ( 0.449 0.000 1.599) 1.661 3.737 ( 1.330 0.000 0.768) 1.536 3.822 ( 0.659 0.000 -0.400) 0.771 3.965 ( -0.303 0.000 -0.408) 0.508 4.066 ( 0.739 0.000 -5.286) 5.338 4.161 ( 4.689 0.000 -3.857) 6.071 4.283 ( -8.986 0.000 1.531) 9.116 4.412 ( -1.026 0.000 -1.267) 1.630 4.746 ( 0.587 0.000 1.673) 1.773 4.889 ( 2.404 0.000 2.577) 3.524 4.924 ( -1.441 0.000 -1.494) 2.076 5.202 ( -4.510 0.000 -6.367) 7.803 5.451 ( -13.504 0.000 5.229) 14.481 5.635 ( 3.337 0.000 3.814) 5.068 5.676 ( 1.596 0.000 -1.631) 2.282 6.124 ( -0.123 0.000 -7.207) 7.208 6.182 ( 11.100 0.000 6.412) 12.819 6.346 ( -0.035 0.000 2.863) 2.863 6.831 ( 0.040 0.000 -2.350) 2.351 6.926 ( 14.698 0.000 -7.875) 16.675 7.547 ( 7.278 0.000 9.159) 11.698 7.660 ( 0.797 0.000 2.100) 2.246 8.437 ( -1.746 0.000 -0.954) 1.990 8.552 ( -1.334 0.000 -0.871) 1.593 8.595 ( -35.613 0.000 -0.481) 35.617 8.647 ( 3.808 0.000 -2.131) 4.364 8.867 ( 2.290 0.000 0.367) 2.319 9.018 ( -9.558 0.000 -4.179) 10.432 9.483 ( 5.454 0.000 5.425) 7.693 9.824 ( -2.482 0.000 -2.971) 3.871 9.878 ( 1.492 0.000 0.158) 1.500 9.905 ( -0.405 0.000 -0.450) 0.605 11.008 ( 0.850 0.000 0.222) 0.879 11.034 ( -0.421 0.000 -0.483) 0.640 11.210 ( -0.628 0.000 1.512) 1.637 11.373 ( 1.531 0.000 -2.268) 2.736 12.243 ( -0.661 0.000 1.461) 1.604 12.367 ( -0.974 0.000 -1.270) 1.600 12.818 ( -1.663 0.000 0.629) 1.778 12.889 ( 1.954 0.000 -0.942) 2.169 13.249 ( -2.864 0.000 1.780) 3.373 13.406 ( 2.575 0.000 -1.651) 3.059 14.910 ( -0.752 0.000 0.857) 1.140 14.954 ( 1.270 0.000 -0.121) 1.276 14.994 ( 2.293 0.000 0.593) 2.368 15.091 ( -7.751 0.000 -1.575) 7.910 15.401 ( -0.127 0.000 0.263) 0.293 15.514 ( -1.148 0.000 -3.244) 3.442 15.664 ( 1.696 0.000 2.854) 3.320 15.776 ( -0.956 0.000 -0.649) 1.155 16.222 ( -2.228 0.000 0.373) 2.259 16.258 ( 20.936 0.000 -0.444) 20.940 16.581 ( -2.205 0.000 0.630) 2.293 16.599 ( 0.215 0.000 0.376) 0.433 16.772 ( 0.817 0.000 0.381) 0.901 16.828 ( 0.448 0.000 -0.681) 0.815 16.832 ( -2.838 0.000 0.352) 2.860 16.877 ( 5.894 0.000 -0.679) 5.933 26.407 ( -0.968 0.000 -2.429) 2.615 26.469 ( 3.818 0.000 -4.198) 5.675 26.504 ( 1.080 0.000 1.011) 1.479 26.590 ( -0.445 0.000 -1.550) 1.613 26.989 ( -0.175 0.000 3.025) 3.030 26.990 ( 1.800 0.000 3.858) 4.257 27.675 ( -9.357 0.000 -1.309) 9.448 27.703 ( 0.479 0.000 -1.290) 1.376 28.299 ( -0.173 0.000 11.612) 11.613 28.821 ( -0.882 0.000 -0.503) 1.016 28.850 ( 50.651 0.000 0.145) 50.651 28.994 ( -3.091 0.000 -1.383) 3.386 29.060 ( 0.283 0.000 0.100) 0.300 29.292 ( -1.602 0.000 -7.214) 7.390 30.060 ( 0.459 0.000 3.411) 3.442 30.320 ( -24.518 0.000 -2.621) 24.658 ======================= Grid point 46 (17/63) ======================= q-point: ( 0.12 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.309 ( 9.957 0.000 9.019) 13.434 0.460 ( 10.539 0.000 7.542) 12.960 0.627 ( 4.513 0.000 4.710) 6.523 0.816 ( 15.284 0.000 0.430) 15.290 0.893 ( 1.279 0.000 -2.201) 2.545 0.979 ( 3.838 0.000 -0.578) 3.881 1.010 ( 3.754 0.000 -0.117) 3.756 1.017 ( -1.470 0.000 1.917) 2.416 1.079 ( 12.977 0.000 6.873) 14.685 1.103 ( 5.396 0.000 -0.578) 5.427 1.197 ( 0.813 0.000 -1.327) 1.556 1.264 ( 0.956 0.000 1.140) 1.487 1.314 ( 0.085 0.000 1.820) 1.822 1.335 ( 3.651 0.000 0.252) 3.660 1.383 ( 2.766 0.000 -1.040) 2.955 1.462 ( 11.011 0.000 -1.330) 11.091 1.506 ( 5.918 0.000 -1.757) 6.174 1.516 ( 8.347 0.000 0.632) 8.371 1.557 ( 0.641 0.000 -2.312) 2.399 1.598 ( -0.521 0.000 6.376) 6.397 1.641 ( -1.324 0.000 -0.971) 1.643 1.870 ( -1.417 0.000 1.727) 2.234 1.899 ( 6.419 0.000 -4.970) 8.118 1.953 ( -1.450 0.000 -6.190) 6.357 1.955 ( 6.705 0.000 1.605) 6.894 2.085 ( -1.109 0.000 -2.118) 2.391 2.262 ( 1.634 0.000 2.328) 2.844 2.352 ( -2.027 0.000 0.719) 2.151 2.615 ( 0.085 0.000 4.291) 4.292 2.808 ( -5.508 0.000 1.120) 5.621 2.932 ( -4.548 0.000 1.426) 4.766 2.991 ( -2.940 0.000 9.237) 9.693 3.021 ( -4.123 0.000 -4.258) 5.926 3.126 ( -11.830 0.000 7.248) 13.874 3.237 ( -0.077 0.000 -1.827) 1.828 3.337 ( 2.131 0.000 0.369) 2.163 3.504 ( -4.459 0.000 -1.488) 4.701 3.506 ( -3.449 0.000 2.113) 4.045 3.568 ( 1.525 0.000 3.270) 3.608 3.614 ( 1.173 0.000 0.733) 1.383 3.647 ( -5.099 0.000 2.189) 5.549 3.745 ( -0.534 0.000 0.794) 0.956 3.820 ( -2.264 0.000 2.874) 3.658 3.979 ( 1.954 0.000 -1.355) 2.378 4.070 ( -0.763 0.000 -1.076) 1.319 4.132 ( -3.925 0.000 -1.883) 4.353 4.238 ( 1.292 0.000 -0.812) 1.526 4.383 ( -0.947 0.000 -0.815) 1.250 4.740 ( -1.663 0.000 2.551) 3.045 4.893 ( -0.560 0.000 -2.997) 3.049 4.959 ( 3.587 0.000 3.387) 4.934 5.042 ( -6.206 0.000 -0.277) 6.212 5.330 ( -1.252 0.000 4.110) 4.297 5.678 ( 0.405 0.000 5.195) 5.211 5.698 ( 0.474 0.000 0.373) 0.604 6.084 ( -2.383 0.000 -7.987) 8.334 6.214 ( -3.437 0.000 6.097) 6.998 6.316 ( -3.421 0.000 2.056) 3.992 6.826 ( 0.348 0.000 -2.388) 2.414 6.939 ( -4.765 0.000 -5.096) 6.977 7.621 ( -5.139 0.000 2.987) 5.944 7.631 ( -0.394 0.000 11.373) 11.379 8.215 ( -3.953 0.000 -6.879) 7.934 8.445 ( -9.826 0.000 -4.453) 10.788 8.547 ( 4.661 0.000 -2.110) 5.117 8.596 ( -3.567 0.000 0.263) 3.576 8.991 ( 7.667 0.000 4.134) 8.711 9.033 ( 7.509 0.000 -4.192) 8.600 9.629 ( 7.881 0.000 5.654) 9.699 9.790 ( 2.693 0.000 -3.189) 4.174 9.990 ( 9.011 0.000 -0.834) 9.049 9.996 ( 9.787 0.000 -0.184) 9.789 11.019 ( -0.911 0.000 -0.888) 1.272 11.026 ( 0.759 0.000 0.666) 1.010 11.171 ( -3.113 0.000 0.008) 3.113 11.384 ( -0.011 0.000 -1.137) 1.137 12.145 ( -8.732 0.000 0.843) 8.772 12.220 ( -10.308 0.000 2.560) 10.621 12.804 ( -0.516 0.000 -0.171) 0.543 12.981 ( 6.594 0.000 0.057) 6.594 13.155 ( -4.490 0.000 2.535) 5.156 13.506 ( 6.991 0.000 -0.668) 7.022 14.881 ( -2.399 0.000 0.146) 2.403 14.885 ( -4.611 0.000 -0.495) 4.637 14.988 ( -2.776 0.000 2.154) 3.514 15.028 ( 1.162 0.000 -0.759) 1.388 15.385 ( -1.351 0.000 -0.483) 1.434 15.409 ( -3.725 0.000 0.101) 3.727 15.674 ( 0.298 0.000 2.922) 2.937 15.730 ( -3.069 0.000 -1.595) 3.458 16.028 ( -10.646 0.000 -0.428) 10.655 16.245 ( -13.680 0.000 -2.658) 13.936 16.751 ( 4.528 0.000 -0.771) 4.594 16.766 ( 1.177 0.000 -1.270) 1.731 16.786 ( 1.558 0.000 1.380) 2.082 16.913 ( 18.035 0.000 0.706) 18.049 16.979 ( 11.177 0.000 -0.557) 11.191 17.280 ( 23.437 0.000 -14.007) 27.304 26.384 ( -0.723 0.000 -1.916) 2.048 26.487 ( -0.386 0.000 -4.774) 4.790 26.525 ( 0.694 0.000 0.933) 1.163 26.583 ( 0.171 0.000 -2.369) 2.375 26.992 ( 0.000 0.000 2.547) 2.547 27.024 ( 0.733 0.000 3.865) 3.933 27.453 ( -8.521 0.000 10.290) 13.360 27.697 ( -0.828 0.000 -0.605) 1.026 28.275 ( -1.788 0.000 10.157) 10.314 28.760 ( -4.776 0.000 -3.207) 5.752 28.960 ( -0.523 0.000 -5.319) 5.345 29.059 ( -0.195 0.000 0.262) 0.327 29.215 ( -3.610 0.000 -6.180) 7.157 29.649 ( 23.679 0.000 -21.329) 31.869 29.713 ( -27.258 0.000 19.495) 33.512 29.981 ( -8.262 0.000 4.661) 9.486 ======================= Grid point 47 (18/63) ======================= q-point: ( 0.25 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.477 ( 6.552 0.000 6.753) 9.409 0.659 ( 7.288 0.000 0.329) 7.295 0.771 ( 8.300 0.000 6.095) 10.298 0.902 ( 0.531 0.000 -0.515) 0.740 0.938 ( 0.815 0.000 -0.725) 1.091 0.996 ( -1.053 0.000 -0.550) 1.188 1.068 ( 2.634 0.000 -0.626) 2.707 1.096 ( 5.849 0.000 1.043) 5.942 1.195 ( 1.153 0.000 -3.233) 3.432 1.214 ( 3.303 0.000 0.326) 3.319 1.287 ( 1.836 0.000 1.243) 2.217 1.318 ( 0.624 0.000 1.078) 1.246 1.371 ( 1.140 0.000 1.432) 1.830 1.443 ( 9.653 0.000 -3.274) 10.193 1.481 ( 7.697 0.000 -1.972) 7.946 1.546 ( 0.517 0.000 3.406) 3.445 1.584 ( -1.369 0.000 0.225) 1.387 1.684 ( 10.290 0.000 3.958) 11.025 1.689 ( 9.183 0.000 -3.163) 9.712 1.728 ( 10.038 0.000 -0.011) 10.038 1.788 ( 17.352 0.000 3.519) 17.705 1.882 ( 5.025 0.000 2.197) 5.484 1.902 ( -0.602 0.000 -2.996) 3.055 2.031 ( 1.740 0.000 -3.377) 3.799 2.093 ( 6.216 0.000 -5.177) 8.089 2.103 ( 7.020 0.000 2.069) 7.319 2.273 ( -5.465 0.000 1.100) 5.575 2.339 ( 6.166 0.000 2.753) 6.753 2.660 ( 3.859 0.000 1.945) 4.321 2.674 ( -7.340 0.000 -0.312) 7.346 2.870 ( -0.893 0.000 0.419) 0.986 2.910 ( -3.856 0.000 -2.404) 4.544 2.925 ( -5.343 0.000 9.966) 11.308 3.028 ( -2.779 0.000 0.006) 2.779 3.208 ( -2.758 0.000 -0.975) 2.925 3.311 ( -3.248 0.000 2.272) 3.964 3.406 ( -7.245 0.000 0.555) 7.266 3.418 ( -3.001 0.000 -2.034) 3.626 3.559 ( -3.669 0.000 2.532) 4.457 3.611 ( 0.572 0.000 4.348) 4.385 3.616 ( -2.249 0.000 -0.554) 2.316 3.715 ( -3.750 0.000 0.817) 3.838 3.784 ( 0.442 0.000 2.933) 2.966 3.982 ( -5.230 0.000 0.230) 5.235 4.005 ( -0.002 0.000 -0.481) 0.481 4.087 ( -3.919 0.000 -3.771) 5.438 4.273 ( 4.054 0.000 -2.613) 4.823 4.392 ( 1.893 0.000 1.674) 2.527 4.690 ( -3.619 0.000 1.943) 4.108 4.886 ( -0.955 0.000 -2.980) 3.130 4.967 ( -1.027 0.000 0.121) 1.034 5.032 ( 2.981 0.000 2.572) 3.938 5.329 ( -0.128 0.000 3.028) 3.031 5.682 ( -2.526 0.000 1.778) 3.089 5.688 ( -0.063 0.000 4.931) 4.932 6.013 ( -2.851 0.000 -8.134) 8.619 6.137 ( -5.103 0.000 5.160) 7.257 6.234 ( -4.403 0.000 1.101) 4.538 6.842 ( 1.489 0.000 -2.113) 2.585 6.866 ( -1.947 0.000 -3.199) 3.745 7.487 ( -8.143 0.000 3.539) 8.879 7.656 ( 0.777 0.000 7.137) 7.179 8.091 ( -6.979 0.000 -5.488) 8.878 8.235 ( -8.672 0.000 -5.395) 10.213 8.549 ( -1.764 0.000 0.290) 1.788 8.596 ( 1.056 0.000 -3.110) 3.285 9.139 ( 5.426 0.000 4.811) 7.251 9.169 ( 6.021 0.000 -2.924) 6.694 9.800 ( 7.912 0.000 4.193) 8.955 9.915 ( 9.060 0.000 -4.518) 10.124 10.249 ( 16.544 0.000 -1.143) 16.583 10.257 ( 16.065 0.000 0.671) 16.079 10.997 ( -1.130 0.000 -1.178) 1.632 11.037 ( 0.118 0.000 0.514) 0.527 11.106 ( -2.785 0.000 -0.883) 2.922 11.372 ( -1.103 0.000 0.239) 1.128 11.929 ( -12.401 0.000 -0.393) 12.407 11.984 ( -13.819 0.000 2.340) 14.016 12.795 ( -0.265 0.000 -0.464) 0.535 13.101 ( -1.596 0.000 4.200) 4.493 13.114 ( 5.937 0.000 -0.318) 5.946 13.649 ( 6.850 0.000 -1.860) 7.098 14.809 ( -4.582 0.000 0.640) 4.626 14.837 ( -0.263 0.000 -3.222) 3.232 14.928 ( -2.767 0.000 1.212) 3.021 15.041 ( 0.046 0.000 -1.138) 1.139 15.355 ( -2.038 0.000 0.075) 2.039 15.357 ( -0.992 0.000 -1.714) 1.981 15.669 ( -2.446 0.000 -1.611) 2.929 15.677 ( -0.747 0.000 2.443) 2.555 15.859 ( -6.490 0.000 0.127) 6.491 15.963 ( -12.907 0.000 0.565) 12.919 16.774 ( 1.054 0.000 -0.771) 1.306 16.811 ( 0.648 0.000 1.842) 1.953 16.831 ( 4.142 0.000 -1.434) 4.384 17.126 ( 3.622 0.000 -0.471) 3.653 17.316 ( 19.114 0.000 1.904) 19.209 17.639 ( 15.900 0.000 -7.530) 17.593 26.377 ( 0.408 0.000 -1.171) 1.240 26.478 ( 0.612 0.000 -3.215) 3.273 26.531 ( -0.321 0.000 1.038) 1.086 26.588 ( 0.721 0.000 -2.630) 2.727 26.999 ( 0.322 0.000 1.880) 1.908 27.037 ( -0.027 0.000 3.215) 3.216 27.353 ( -4.421 0.000 9.028) 10.053 27.668 ( -1.966 0.000 -0.258) 1.983 28.263 ( -1.367 0.000 7.643) 7.764 28.645 ( -4.702 0.000 -6.589) 8.095 28.907 ( -4.323 0.000 -7.254) 8.444 29.037 ( -2.992 0.000 1.536) 3.363 29.170 ( 0.328 0.000 -3.070) 3.087 29.338 ( -14.586 0.000 13.197) 19.670 29.797 ( -10.007 0.000 6.333) 11.843 29.896 ( 7.937 0.000 -14.284) 16.341 ======================= Grid point 48 (19/63) ======================= q-point: ( 0.38 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.604 ( 5.120 0.000 3.443) 6.170 0.766 ( 4.020 0.000 0.654) 4.073 0.869 ( -0.219 0.000 2.390) 2.400 0.919 ( 0.863 0.000 -0.168) 0.879 0.925 ( -1.545 0.000 -0.483) 1.618 0.979 ( -0.099 0.000 -0.368) 0.381 1.179 ( 6.823 0.000 -1.229) 6.932 1.190 ( 3.251 0.000 3.097) 4.490 1.212 ( 0.480 0.000 -1.800) 1.863 1.221 ( 1.322 0.000 0.983) 1.648 1.328 ( 1.734 0.000 -0.121) 1.739 1.331 ( 0.330 0.000 0.820) 0.884 1.451 ( 5.137 0.000 3.536) 6.236 1.464 ( -3.270 0.000 4.772) 5.784 1.548 ( -1.912 0.000 2.296) 2.988 1.600 ( 8.630 0.000 -4.572) 9.767 1.639 ( 4.234 0.000 -2.117) 4.734 1.747 ( -4.866 0.000 -2.821) 5.625 1.779 ( 1.526 0.000 -1.531) 2.162 1.867 ( 2.583 0.000 -2.018) 3.278 1.931 ( 3.716 0.000 1.042) 3.860 1.993 ( 2.619 0.000 1.253) 2.903 2.072 ( 4.796 0.000 -4.777) 6.769 2.171 ( 3.514 0.000 0.928) 3.634 2.197 ( -0.013 0.000 2.577) 2.577 2.238 ( 6.156 0.000 -2.763) 6.747 2.266 ( 18.002 0.000 3.059) 18.260 2.490 ( 4.875 0.000 2.091) 5.304 2.608 ( 5.261 0.000 -1.932) 5.605 2.756 ( 2.656 0.000 3.452) 4.355 2.836 ( -2.749 0.000 6.692) 7.235 2.863 ( -1.949 0.000 -1.738) 2.611 2.908 ( 4.687 0.000 -2.355) 5.245 2.979 ( -0.980 0.000 -0.897) 1.328 3.134 ( -4.372 0.000 0.816) 4.448 3.217 ( -9.928 0.000 3.324) 10.470 3.294 ( 0.333 0.000 3.111) 3.129 3.370 ( -2.137 0.000 -1.858) 2.832 3.482 ( -4.204 0.000 1.459) 4.450 3.554 ( -2.198 0.000 -0.846) 2.355 3.588 ( -3.817 0.000 1.977) 4.299 3.616 ( -5.532 0.000 1.913) 5.853 3.827 ( 1.822 0.000 1.187) 2.174 3.879 ( -5.336 0.000 -2.773) 6.014 3.968 ( -2.874 0.000 -0.230) 2.883 3.991 ( -2.742 0.000 0.701) 2.830 4.389 ( 7.487 0.000 -3.291) 8.179 4.448 ( 2.074 0.000 4.255) 4.733 4.623 ( -2.512 0.000 0.707) 2.609 4.816 ( -4.733 0.000 0.125) 4.735 5.002 ( 2.963 0.000 -0.585) 3.020 5.081 ( 1.464 0.000 0.664) 1.607 5.327 ( -0.744 0.000 3.220) 3.304 5.609 ( -4.546 0.000 1.093) 4.676 5.689 ( -1.067 0.000 2.681) 2.885 5.953 ( -1.389 0.000 -7.055) 7.190 6.047 ( -4.109 0.000 4.346) 5.981 6.168 ( -2.270 0.000 1.551) 2.749 6.835 ( -0.745 0.000 -3.289) 3.372 6.864 ( 0.823 0.000 -3.063) 3.172 7.346 ( -5.814 0.000 3.603) 6.840 7.667 ( -0.763 0.000 1.348) 1.549 7.959 ( -4.806 0.000 -0.988) 4.906 8.106 ( -3.193 0.000 -3.817) 4.977 8.523 ( -0.936 0.000 0.226) 0.963 8.599 ( 0.059 0.000 -2.304) 2.304 9.218 ( 1.957 0.000 3.507) 4.016 9.256 ( 3.359 0.000 -2.181) 4.005 9.940 ( 4.940 0.000 2.934) 5.746 10.077 ( 7.009 0.000 -4.100) 8.120 10.599 ( 16.025 0.000 2.448) 16.211 10.607 ( 18.581 0.000 -1.765) 18.665 10.959 ( -2.244 0.000 -1.842) 2.903 11.029 ( -1.086 0.000 -0.201) 1.104 11.094 ( 2.822 0.000 -1.415) 3.157 11.324 ( -5.137 0.000 2.387) 5.665 11.686 ( -9.915 0.000 -2.415) 10.205 11.691 ( -15.540 0.000 2.772) 15.785 12.794 ( 0.302 0.000 -0.005) 0.302 13.103 ( 0.535 0.000 7.078) 7.098 13.193 ( 1.995 0.000 -2.356) 3.087 13.749 ( 3.385 0.000 -4.099) 5.316 14.725 ( -3.624 0.000 1.016) 3.764 14.851 ( 2.160 0.000 -4.626) 5.106 14.893 ( -0.902 0.000 0.378) 0.978 15.024 ( -1.478 0.000 -1.193) 1.900 15.323 ( -1.159 0.000 -0.298) 1.197 15.344 ( 0.006 0.000 -1.979) 1.979 15.633 ( -0.816 0.000 -0.555) 0.987 15.638 ( -3.842 0.000 2.487) 4.577 15.765 ( -3.018 0.000 0.438) 3.049 15.777 ( -5.253 0.000 1.388) 5.433 16.799 ( 0.934 0.000 -0.192) 0.954 16.826 ( 0.924 0.000 3.250) 3.379 16.909 ( 3.829 0.000 -1.978) 4.310 17.142 ( -1.321 0.000 -0.760) 1.524 17.625 ( 10.687 0.000 2.340) 10.941 17.885 ( 9.430 0.000 -4.386) 10.400 26.396 ( 1.554 0.000 -0.620) 1.673 26.498 ( 1.761 0.000 -2.856) 3.355 26.515 ( -1.461 0.000 1.225) 1.907 26.598 ( 0.699 0.000 -2.260) 2.366 27.011 ( 0.389 0.000 1.495) 1.544 27.037 ( -0.513 0.000 2.412) 2.466 27.291 ( -3.327 0.000 7.278) 8.002 27.623 ( -2.253 0.000 -0.916) 2.432 28.246 ( -1.509 0.000 5.429) 5.635 28.594 ( 1.506 0.000 -5.365) 5.572 28.779 ( -6.227 0.000 -5.518) 8.320 28.916 ( -8.856 0.000 3.585) 9.554 29.177 ( -4.055 0.000 3.866) 5.603 29.204 ( 3.294 0.000 -3.331) 4.685 29.635 ( -7.528 0.000 7.650) 10.732 29.984 ( 4.023 0.000 -9.365) 10.192 ======================= Grid point 49 (20/63) ======================= q-point: (-0.50 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.684 ( 1.933 0.000 3.454) 3.958 0.814 ( -1.943 0.000 0.820) 2.109 0.841 ( 0.393 0.000 1.369) 1.424 0.899 ( -0.527 0.000 -1.402) 1.498 0.936 ( 1.359 0.000 -0.156) 1.368 0.990 ( 1.039 0.000 -0.554) 1.177 1.188 ( -0.509 0.000 -0.846) 0.987 1.204 ( -0.784 0.000 -0.992) 1.264 1.237 ( 0.929 0.000 2.618) 2.777 1.315 ( -2.195 0.000 2.839) 3.589 1.326 ( 1.823 0.000 0.792) 1.988 1.382 ( 2.983 0.000 -1.427) 3.306 1.433 ( -0.849 0.000 3.188) 3.299 1.483 ( -4.458 0.000 1.486) 4.699 1.535 ( -5.445 0.000 2.478) 5.982 1.649 ( 5.878 0.000 3.668) 6.929 1.682 ( -0.241 0.000 -0.526) 0.579 1.738 ( 3.867 0.000 -1.828) 4.277 1.820 ( 3.960 0.000 -1.994) 4.434 1.872 ( -0.898 0.000 -5.596) 5.668 1.961 ( -3.784 0.000 -2.111) 4.333 1.967 ( -0.228 0.000 1.057) 1.081 2.113 ( -4.577 0.000 -0.680) 4.627 2.163 ( 3.528 0.000 -3.705) 5.116 2.210 ( -0.306 0.000 3.139) 3.153 2.341 ( 3.789 0.000 2.151) 4.357 2.477 ( -4.946 0.000 -2.747) 5.658 2.525 ( -2.283 0.000 -2.118) 3.114 2.671 ( -7.168 0.000 4.533) 8.481 2.754 ( 4.754 0.000 0.565) 4.787 2.863 ( 4.912 0.000 3.447) 6.001 2.913 ( 3.573 0.000 0.838) 3.670 2.977 ( 0.075 0.000 -1.653) 1.655 3.011 ( 0.883 0.000 0.153) 0.896 3.063 ( -3.314 0.000 2.215) 3.986 3.065 ( 1.932 0.000 1.071) 2.209 3.319 ( -1.481 0.000 -1.920) 2.424 3.323 ( -0.082 0.000 4.201) 4.202 3.426 ( -0.154 0.000 -0.212) 0.262 3.513 ( -2.340 0.000 -0.089) 2.342 3.549 ( 2.439 0.000 3.540) 4.299 3.590 ( 3.850 0.000 2.265) 4.467 3.790 ( -4.817 0.000 -2.585) 5.467 3.815 ( 0.215 0.000 -2.051) 2.062 3.967 ( 2.473 0.000 1.762) 3.037 3.982 ( 1.099 0.000 1.734) 2.053 4.444 ( -2.805 0.000 2.233) 3.585 4.541 ( 7.908 0.000 -2.829) 8.399 4.623 ( 1.602 0.000 2.247) 2.759 4.725 ( -4.326 0.000 2.988) 5.258 5.044 ( 0.917 0.000 -0.047) 0.918 5.082 ( -1.517 0.000 -1.189) 1.928 5.314 ( -0.962 0.000 3.276) 3.414 5.535 ( -2.184 0.000 -0.598) 2.264 5.641 ( -3.729 0.000 -0.413) 3.752 5.948 ( 2.276 0.000 -5.541) 5.991 6.013 ( -0.082 0.000 4.448) 4.448 6.147 ( -0.340 0.000 2.367) 2.391 6.819 ( -0.347 0.000 -3.395) 3.413 6.853 ( -1.114 0.000 -4.308) 4.449 7.290 ( -0.290 0.000 3.546) 3.558 7.639 ( -1.638 0.000 -1.480) 2.208 7.910 ( 0.119 0.000 0.287) 0.311 8.096 ( 2.587 0.000 -1.570) 3.026 8.514 ( 0.049 0.000 0.269) 0.274 8.596 ( 0.184 0.000 -2.118) 2.126 9.236 ( -0.473 0.000 2.016) 2.071 9.302 ( 1.627 0.000 -1.072) 1.948 9.988 ( -0.996 0.000 2.116) 2.339 10.153 ( 1.023 0.000 -3.001) 3.170 10.747 ( -4.154 0.000 1.317) 4.358 10.937 ( 13.500 0.000 -2.856) 13.799 10.959 ( 3.039 0.000 -0.245) 3.048 10.967 ( -6.954 0.000 -0.548) 6.976 11.141 ( -10.647 0.000 1.680) 10.779 11.246 ( 10.530 0.000 -1.375) 10.620 11.427 ( -7.821 0.000 3.782) 8.688 11.611 ( 2.980 0.000 -1.761) 3.462 12.809 ( 1.010 0.000 1.586) 1.880 13.141 ( 1.522 0.000 9.185) 9.310 13.184 ( -2.078 0.000 -4.827) 5.255 13.761 ( -1.309 0.000 -6.064) 6.204 14.677 ( -1.142 0.000 0.415) 1.215 14.892 ( 0.595 0.000 0.844) 1.033 14.896 ( 3.052 0.000 -5.440) 6.237 14.983 ( -2.203 0.000 -0.951) 2.399 15.308 ( -0.326 0.000 -0.861) 0.921 15.347 ( 0.573 0.000 -1.681) 1.776 15.576 ( -1.633 0.000 2.587) 3.059 15.639 ( 1.481 0.000 0.566) 1.586 15.730 ( -0.753 0.000 0.847) 1.133 15.738 ( 0.104 0.000 0.749) 0.756 16.797 ( -0.864 0.000 0.955) 1.288 16.869 ( 2.276 0.000 3.848) 4.471 16.960 ( 0.898 0.000 -2.175) 2.353 17.101 ( -1.628 0.000 -1.596) 2.280 17.732 ( -0.511 0.000 2.206) 2.265 17.981 ( 0.716 0.000 -3.380) 3.455 26.430 ( 1.738 0.000 -0.689) 1.870 26.482 ( -1.870 0.000 1.467) 2.376 26.523 ( 0.861 0.000 -2.977) 3.099 26.605 ( 0.433 0.000 -1.604) 1.661 27.016 ( -0.219 0.000 1.477) 1.493 27.024 ( -1.222 0.000 1.766) 2.148 27.254 ( -1.536 0.000 6.552) 6.730 27.590 ( -0.453 0.000 -1.711) 1.770 28.224 ( -1.456 0.000 3.675) 3.953 28.678 ( -1.956 0.000 -1.204) 2.297 28.695 ( 8.621 0.000 -3.902) 9.463 28.764 ( -5.745 0.000 0.194) 5.748 29.133 ( -1.598 0.000 0.757) 1.768 29.284 ( 5.522 0.000 -3.736) 6.667 29.514 ( -6.397 0.000 7.704) 10.014 30.043 ( 3.714 0.000 -6.196) 7.224 ======================= Grid point 50 (21/63) ======================= q-point: (-0.38 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.684 ( -2.834 0.000 6.275) 6.885 0.739 ( -4.251 0.000 -0.201) 4.256 0.856 ( -0.621 0.000 2.377) 2.456 0.901 ( 0.850 0.000 -2.431) 2.575 0.973 ( 1.850 0.000 0.432) 1.900 1.014 ( 1.331 0.000 -0.498) 1.422 1.161 ( -5.110 0.000 -1.791) 5.415 1.184 ( -0.893 0.000 -2.030) 2.218 1.235 ( -1.818 0.000 1.823) 2.575 1.241 ( -6.413 0.000 2.671) 6.947 1.281 ( -1.448 0.000 3.249) 3.557 1.358 ( -2.757 0.000 0.424) 2.790 1.414 ( -3.512 0.000 1.503) 3.820 1.420 ( -0.959 0.000 1.306) 1.620 1.489 ( 1.474 0.000 -1.148) 1.868 1.628 ( -4.448 0.000 1.698) 4.761 1.740 ( -3.815 0.000 -0.806) 3.899 1.797 ( -2.472 0.000 -4.046) 4.742 1.816 ( -4.822 0.000 0.238) 4.828 1.825 ( 1.397 0.000 -1.565) 2.098 1.926 ( -0.519 0.000 -3.694) 3.730 1.955 ( 0.368 0.000 3.523) 3.542 2.025 ( -5.289 0.000 -3.417) 6.296 2.147 ( -2.241 0.000 -0.007) 2.241 2.202 ( -22.062 0.000 -0.606) 22.070 2.207 ( -2.136 0.000 2.681) 3.428 2.355 ( -6.276 0.000 -3.055) 6.980 2.389 ( 0.629 0.000 3.406) 3.464 2.574 ( -1.593 0.000 -1.465) 2.164 2.684 ( -5.244 0.000 1.588) 5.479 2.850 ( -7.014 0.000 2.026) 7.301 2.972 ( 1.681 0.000 0.418) 1.732 2.999 ( -1.058 0.000 2.377) 2.602 3.064 ( 5.935 0.000 0.545) 5.960 3.156 ( 10.913 0.000 2.605) 11.219 3.169 ( 4.708 0.000 2.883) 5.521 3.321 ( 0.678 0.000 4.023) 4.080 3.370 ( 6.545 0.000 -2.281) 6.931 3.458 ( 2.044 0.000 -2.188) 2.994 3.520 ( 2.830 0.000 1.245) 3.092 3.664 ( 6.545 0.000 6.330) 9.105 3.690 ( -3.398 0.000 -1.570) 3.743 3.704 ( 5.367 0.000 0.728) 5.416 3.852 ( 2.339 0.000 -1.989) 3.071 4.014 ( 1.233 0.000 0.885) 1.517 4.055 ( 5.848 0.000 0.711) 5.891 4.389 ( -2.150 0.000 -0.055) 2.151 4.630 ( -2.481 0.000 6.627) 7.076 4.657 ( 1.140 0.000 2.535) 2.780 4.707 ( 5.348 0.000 -3.383) 6.329 5.019 ( -4.120 0.000 -1.842) 4.513 5.037 ( -1.362 0.000 2.094) 2.498 5.309 ( 0.032 0.000 2.453) 2.454 5.534 ( 2.119 0.000 -2.125) 3.001 5.570 ( -2.484 0.000 -0.464) 2.527 6.010 ( 4.260 0.000 -5.165) 6.695 6.035 ( 0.825 0.000 3.017) 3.128 6.167 ( 2.011 0.000 3.028) 3.635 6.807 ( -0.334 0.000 -3.373) 3.390 6.819 ( -1.114 0.000 -3.936) 4.091 7.339 ( 4.278 0.000 2.961) 5.203 7.592 ( -3.033 0.000 -0.220) 3.041 7.980 ( 7.231 0.000 -1.748) 7.439 8.188 ( 6.414 0.000 -0.767) 6.460 8.524 ( 0.833 0.000 0.258) 0.871 8.603 ( 1.077 0.000 -2.175) 2.427 9.216 ( -1.543 0.000 1.208) 1.960 9.323 ( 0.692 0.000 0.841) 1.089 9.899 ( -8.307 0.000 0.825) 8.348 10.103 ( -5.424 0.000 -2.027) 5.790 10.543 ( -14.234 0.000 -0.157) 14.235 10.664 ( -19.490 0.000 0.737) 19.504 11.006 ( 1.412 0.000 0.437) 1.478 11.030 ( -2.106 0.000 -0.286) 2.126 11.147 ( 7.518 0.000 -5.248) 9.168 11.234 ( -3.069 0.000 4.097) 5.119 11.627 ( 16.690 0.000 -0.005) 16.690 11.755 ( 10.294 0.000 0.587) 10.311 12.837 ( 1.200 0.000 3.459) 3.661 13.106 ( -4.360 0.000 -5.910) 7.344 13.190 ( 1.451 0.000 9.640) 9.749 13.680 ( -5.333 0.000 -6.935) 8.748 14.686 ( 2.190 0.000 -0.427) 2.231 14.911 ( 0.898 0.000 1.303) 1.582 14.930 ( -0.348 0.000 -3.076) 3.096 14.957 ( 1.458 0.000 -2.689) 3.059 15.306 ( 0.390 0.000 -1.272) 1.331 15.360 ( 0.949 0.000 -1.076) 1.434 15.588 ( 1.624 0.000 0.998) 1.906 15.688 ( 2.838 0.000 1.180) 3.074 15.749 ( 3.278 0.000 0.490) 3.314 15.773 ( 3.392 0.000 1.038) 3.547 16.777 ( -1.081 0.000 0.818) 1.355 16.916 ( 1.322 0.000 4.813) 4.991 16.923 ( -3.474 0.000 -1.601) 3.825 17.089 ( 0.195 0.000 -3.103) 3.109 17.615 ( -11.382 0.000 1.959) 11.549 17.897 ( -8.426 0.000 -4.063) 9.354 26.444 ( -0.706 0.000 -0.559) 0.900 26.464 ( 0.472 0.000 0.843) 0.966 26.513 ( -1.206 0.000 -3.082) 3.310 26.613 ( 0.465 0.000 -1.249) 1.333 26.997 ( -1.604 0.000 1.336) 2.088 27.008 ( -0.816 0.000 1.750) 1.930 27.258 ( 0.600 0.000 7.529) 7.553 27.601 ( 1.732 0.000 -1.934) 2.596 28.202 ( -1.337 0.000 2.196) 2.571 28.682 ( 2.582 0.000 -1.071) 2.796 28.700 ( -0.657 0.000 -3.466) 3.527 28.914 ( 12.188 0.000 -0.135) 12.189 29.105 ( -1.342 0.000 -0.390) 1.397 29.362 ( -3.728 0.000 1.901) 4.185 29.459 ( 6.425 0.000 1.657) 6.635 30.119 ( 4.981 0.000 -3.700) 6.204 ======================= Grid point 51 (22/63) ======================= q-point: (-0.25 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.608 ( -5.858 0.000 9.897) 11.500 0.645 ( -5.940 0.000 0.770) 5.990 0.783 ( -8.847 0.000 5.427) 10.379 0.911 ( 0.635 0.000 -2.975) 3.042 0.947 ( -3.745 0.000 1.776) 4.145 1.030 ( -0.168 0.000 -0.749) 0.768 1.064 ( 1.123 0.000 -1.854) 2.167 1.146 ( -4.363 0.000 0.570) 4.400 1.180 ( -6.900 0.000 -1.193) 7.003 1.181 ( -2.704 0.000 0.898) 2.849 1.258 ( -1.802 0.000 -0.877) 2.005 1.275 ( -3.814 0.000 -0.349) 3.830 1.342 ( -0.964 0.000 0.381) 1.036 1.395 ( -4.319 0.000 0.853) 4.402 1.512 ( -9.753 0.000 0.371) 9.760 1.547 ( 3.209 0.000 -1.652) 3.609 1.579 ( -17.078 0.000 4.447) 17.647 1.619 ( -5.949 0.000 -3.874) 7.099 1.648 ( -9.259 0.000 -1.590) 9.395 1.722 ( -9.667 0.000 -2.466) 9.977 1.743 ( -14.718 0.000 -0.603) 14.730 1.866 ( -3.031 0.000 0.308) 3.047 1.967 ( -3.432 0.000 -0.812) 3.527 2.019 ( 2.976 0.000 3.628) 4.692 2.075 ( -4.543 0.000 -2.133) 5.019 2.188 ( -1.014 0.000 -0.462) 1.115 2.292 ( -1.275 0.000 0.156) 1.285 2.393 ( -0.925 0.000 4.137) 4.239 2.573 ( 1.154 0.000 -0.948) 1.493 2.679 ( 3.810 0.000 0.222) 3.817 2.791 ( 1.894 0.000 1.231) 2.259 2.969 ( -1.540 0.000 5.597) 5.805 2.992 ( 1.507 0.000 -0.474) 1.580 3.146 ( 1.902 0.000 0.693) 2.025 3.261 ( 3.567 0.000 1.215) 3.769 3.352 ( 7.082 0.000 7.322) 10.186 3.399 ( 5.540 0.000 -2.850) 6.230 3.495 ( 5.335 0.000 1.543) 5.553 3.506 ( 4.324 0.000 -0.435) 4.345 3.607 ( 4.544 0.000 1.484) 4.780 3.621 ( -2.434 0.000 -2.836) 3.737 3.797 ( 5.017 0.000 4.848) 6.977 3.807 ( 3.501 0.000 2.859) 4.520 3.893 ( 2.681 0.000 -1.313) 2.986 4.010 ( -1.416 0.000 -0.980) 1.722 4.155 ( 2.784 0.000 -1.252) 3.053 4.376 ( 0.976 0.000 -0.437) 1.069 4.564 ( -4.525 0.000 3.834) 5.930 4.682 ( 1.262 0.000 1.393) 1.880 4.825 ( 6.324 0.000 0.945) 6.394 4.932 ( -3.845 0.000 -1.405) 4.094 5.029 ( 0.764 0.000 6.140) 6.187 5.316 ( 0.099 0.000 1.580) 1.583 5.564 ( 1.790 0.000 3.311) 3.764 5.589 ( 3.350 0.000 -2.947) 4.462 6.035 ( -1.508 0.000 0.719) 1.671 6.076 ( 3.240 0.000 -5.913) 6.742 6.236 ( 3.902 0.000 3.355) 5.146 6.788 ( -0.963 0.000 -3.283) 3.422 6.806 ( 0.511 0.000 -2.682) 2.731 7.457 ( 6.623 0.000 2.233) 6.989 7.528 ( -3.154 0.000 2.377) 3.950 8.172 ( 11.418 0.000 -3.124) 11.837 8.332 ( 7.956 0.000 -1.829) 8.164 8.544 ( 1.084 0.000 0.005) 1.084 8.637 ( 3.025 0.000 -2.571) 3.970 9.194 ( -0.486 0.000 0.783) 0.921 9.339 ( 0.642 0.000 4.047) 4.098 9.669 ( -14.274 0.000 -1.794) 14.386 9.951 ( -8.763 0.000 -0.193) 8.765 10.241 ( -14.940 0.000 -0.673) 14.955 10.285 ( -17.427 0.000 0.373) 17.431 11.002 ( -0.719 0.000 -0.937) 1.181 11.026 ( 0.731 0.000 0.507) 0.890 11.218 ( -0.136 0.000 3.441) 3.444 11.255 ( 4.779 0.000 -4.564) 6.608 11.939 ( 14.148 0.000 0.774) 14.169 11.976 ( 10.838 0.000 1.464) 10.937 12.862 ( 0.391 0.000 4.409) 4.427 13.002 ( -4.764 0.000 -4.976) 6.889 13.227 ( 0.466 0.000 8.266) 8.279 13.542 ( -6.612 0.000 -6.216) 9.075 14.763 ( 5.505 0.000 -1.077) 5.609 14.914 ( -0.055 0.000 -1.677) 1.678 14.927 ( 0.387 0.000 1.211) 1.271 14.992 ( 1.943 0.000 -1.792) 2.643 15.321 ( 1.377 0.000 -1.366) 1.939 15.378 ( 0.986 0.000 -0.533) 1.120 15.609 ( 0.391 0.000 -0.055) 0.395 15.740 ( 2.042 0.000 1.061) 2.302 15.885 ( 7.564 0.000 1.525) 7.716 15.889 ( 10.542 0.000 -1.469) 10.644 16.761 ( -0.610 0.000 0.243) 0.656 16.846 ( -3.616 0.000 -1.200) 3.810 16.930 ( -1.002 0.000 4.823) 4.926 17.065 ( -2.558 0.000 -3.527) 4.357 17.305 ( -19.322 0.000 1.679) 19.394 17.634 ( -17.002 0.000 -8.276) 18.910 26.431 ( -0.292 0.000 -0.605) 0.672 26.474 ( -1.946 0.000 -3.414) 3.929 26.475 ( 0.351 0.000 0.053) 0.355 26.613 ( -0.240 0.000 -1.159) 1.184 26.971 ( -1.128 0.000 1.479) 1.860 26.995 ( -0.736 0.000 2.294) 2.409 27.312 ( 3.584 0.000 11.370) 11.922 27.642 ( 2.443 0.000 -1.835) 3.055 28.180 ( -1.078 0.000 0.696) 1.283 28.694 ( -0.246 0.000 -5.608) 5.613 28.750 ( 3.708 0.000 -0.618) 3.759 29.078 ( -1.145 0.000 -0.602) 1.294 29.136 ( 9.204 0.000 -0.041) 9.204 29.235 ( -7.272 0.000 3.131) 7.917 29.687 ( 13.756 0.000 -0.023) 13.756 30.235 ( 7.286 0.000 -1.427) 7.425 ======================= Grid point 52 (23/63) ======================= q-point: (-0.12 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.461 ( -12.402 0.000 7.922) 14.716 0.490 ( -9.069 0.000 12.527) 15.465 0.628 ( -5.438 0.000 4.473) 7.041 0.810 ( -25.264 0.000 5.955) 25.956 0.932 ( 0.711 0.000 -1.713) 1.854 0.936 ( -0.025 0.000 0.105) 0.108 0.936 ( -9.675 0.000 -2.299) 9.944 1.026 ( -3.709 0.000 -1.443) 3.980 1.095 ( -4.299 0.000 0.291) 4.308 1.120 ( -2.982 0.000 1.155) 3.198 1.141 ( 2.805 0.000 -0.295) 2.820 1.256 ( -0.854 0.000 -0.225) 0.883 1.278 ( -6.145 0.000 0.006) 6.145 1.294 ( -0.256 0.000 -5.084) 5.090 1.406 ( -2.220 0.000 -0.666) 2.318 1.443 ( -3.099 0.000 4.944) 5.835 1.485 ( -9.316 0.000 1.671) 9.464 1.486 ( -5.641 0.000 -0.765) 5.693 1.545 ( -3.447 0.000 -2.755) 4.412 1.581 ( 0.108 0.000 -2.575) 2.577 1.615 ( 2.967 0.000 -1.163) 3.187 1.831 ( -0.723 0.000 0.939) 1.185 1.921 ( -1.610 0.000 1.784) 2.403 1.961 ( -6.429 0.000 -1.885) 6.699 2.068 ( 0.859 0.000 -0.621) 1.060 2.135 ( -3.039 0.000 -2.965) 4.246 2.261 ( -2.201 0.000 2.305) 3.188 2.366 ( -1.131 0.000 0.956) 1.481 2.616 ( 1.216 0.000 5.245) 5.384 2.785 ( 5.896 0.000 -0.133) 5.898 2.875 ( 5.128 0.000 1.142) 5.253 2.990 ( 2.135 0.000 6.099) 6.462 3.062 ( 5.671 0.000 2.100) 6.047 3.143 ( -1.908 0.000 -1.274) 2.294 3.289 ( -0.987 0.000 0.256) 1.020 3.450 ( 1.439 0.000 -2.149) 2.586 3.511 ( 6.430 0.000 3.251) 7.205 3.566 ( -2.034 0.000 -1.161) 2.342 3.596 ( 3.983 0.000 3.905) 5.578 3.623 ( 5.788 0.000 1.507) 5.981 3.690 ( 3.224 0.000 0.302) 3.238 3.837 ( -0.929 0.000 1.331) 1.623 3.843 ( -1.427 0.000 -5.389) 5.574 3.978 ( -0.977 0.000 -1.251) 1.588 3.980 ( 6.016 0.000 2.505) 6.516 4.153 ( -1.781 0.000 -2.917) 3.418 4.408 ( 1.554 0.000 -0.361) 1.595 4.457 ( -6.607 0.000 -4.052) 7.751 4.717 ( 1.850 0.000 0.856) 2.038 4.875 ( -1.414 0.000 0.183) 1.426 4.927 ( 2.062 0.000 0.019) 2.062 5.158 ( 10.067 0.000 7.338) 12.458 5.352 ( 6.199 0.000 11.738) 13.275 5.630 ( 2.577 0.000 5.806) 6.352 5.642 ( 2.358 0.000 -2.825) 3.679 5.985 ( -2.065 0.000 2.841) 3.512 6.117 ( 1.970 0.000 -6.543) 6.833 6.312 ( 2.741 0.000 3.076) 4.120 6.766 ( 0.246 0.000 -1.308) 1.331 6.822 ( 1.148 0.000 -1.996) 2.303 7.490 ( -1.078 0.000 5.479) 5.585 7.589 ( 5.564 0.000 1.802) 5.848 8.365 ( 7.218 0.000 -2.608) 7.675 8.493 ( 8.481 0.000 -2.659) 8.888 8.563 ( 0.901 0.000 -0.836) 1.229 8.721 ( 5.725 0.000 -4.178) 7.087 9.176 ( -4.837 0.000 -7.344) 8.794 9.308 ( -13.297 0.000 4.880) 14.164 9.411 ( -1.415 0.000 -2.385) 2.773 9.812 ( -3.229 0.000 3.905) 5.067 9.980 ( -10.138 0.000 -0.752) 10.166 10.008 ( -9.838 0.000 -0.040) 9.838 10.996 ( 0.275 0.000 -0.498) 0.569 11.037 ( 0.192 0.000 0.103) 0.217 11.217 ( -0.659 0.000 2.435) 2.523 11.329 ( 3.354 0.000 -3.414) 4.786 12.166 ( 7.372 0.000 1.652) 7.555 12.197 ( 11.962 0.000 2.889) 12.306 12.860 ( -1.491 0.000 3.180) 3.512 12.911 ( -3.212 0.000 -2.864) 4.303 13.241 ( 0.032 0.000 6.264) 6.264 13.423 ( -3.598 0.000 -4.101) 5.456 14.881 ( 5.240 0.000 -0.083) 5.240 14.923 ( 1.176 0.000 -1.665) 2.038 14.936 ( 0.961 0.000 0.215) 0.985 15.052 ( 5.227 0.000 3.248) 6.154 15.357 ( 3.134 0.000 0.124) 3.137 15.394 ( 0.636 0.000 -0.080) 0.641 15.617 ( 0.674 0.000 0.828) 1.068 15.773 ( 1.062 0.000 0.209) 1.082 16.071 ( 10.473 0.000 1.794) 10.626 16.120 ( 11.352 0.000 -6.135) 12.904 16.755 ( -0.146 0.000 -0.442) 0.465 16.786 ( -2.203 0.000 0.193) 2.211 16.881 ( -13.378 0.000 3.497) 13.828 16.905 ( -10.644 0.000 0.989) 10.690 16.953 ( -9.495 0.000 -1.736) 9.652 17.163 ( -28.102 0.000 -18.052) 33.400 26.425 ( -0.348 0.000 -2.035) 2.065 26.432 ( -0.930 0.000 -2.274) 2.457 26.484 ( 0.641 0.000 0.798) 1.023 26.602 ( -0.512 0.000 -1.124) 1.235 26.963 ( 0.079 0.000 2.493) 2.494 26.989 ( -0.383 0.000 2.878) 2.904 27.489 ( 13.434 0.000 17.440) 22.014 27.682 ( 1.800 0.000 -1.662) 2.450 28.168 ( 0.588 0.000 1.636) 1.738 28.625 ( -6.025 0.000 -2.982) 6.723 28.808 ( 1.975 0.000 -0.511) 2.040 29.061 ( -0.409 0.000 -0.135) 0.431 29.093 ( -6.588 0.000 2.500) 7.046 29.277 ( 4.399 0.000 -4.511) 6.301 29.943 ( 10.294 0.000 1.844) 10.458 30.397 ( 8.133 0.000 -2.110) 8.402 ======================= Grid point 53 (24/63) ======================= q-point: ( 0.00 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 101 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.374 ( -1.477 14.308 3.232) 14.743 0.451 ( -3.368 8.812 7.223) 11.881 0.612 ( 0.727 3.967 4.586) 6.107 0.751 ( -0.770 12.316 7.209) 14.292 0.899 ( -0.903 6.193 -2.469) 6.728 0.948 ( 1.361 -0.183 -0.042) 1.374 0.958 ( 1.042 1.406 3.647) 4.045 1.000 ( 0.034 0.376 -5.159) 5.173 1.040 ( -0.439 -0.378 2.840) 2.898 1.091 ( -3.021 1.660 0.935) 3.571 1.151 ( 2.715 1.770 -0.496) 3.279 1.216 ( 1.689 -2.489 2.413) 3.856 1.228 ( 4.619 -3.512 -2.147) 6.187 1.284 ( 0.664 -0.792 -0.694) 1.244 1.301 ( -1.727 -3.107 -0.515) 3.592 1.358 ( 1.306 -4.925 -0.453) 5.115 1.389 ( -1.246 -0.448 2.978) 3.259 1.441 ( -1.613 1.248 0.179) 2.047 1.567 ( 0.929 0.366 -0.522) 1.126 1.583 ( 0.729 -0.884 2.388) 2.648 1.666 ( -0.144 -0.502 -1.867) 1.939 1.801 ( 0.043 -1.373 0.171) 1.384 1.854 ( 0.233 -1.789 -1.715) 2.489 1.924 ( -1.501 2.616 0.160) 3.021 2.044 ( -2.335 0.347 -4.352) 4.951 2.087 ( 0.301 -0.223 -2.641) 2.667 2.240 ( -0.081 0.611 1.197) 1.346 2.294 ( -0.105 -6.093 1.241) 6.219 2.653 ( -1.359 2.610 4.553) 5.421 2.832 ( 0.376 -1.109 -0.687) 1.358 2.951 ( -1.137 -3.762 3.928) 5.556 3.029 ( -1.578 0.657 1.266) 2.127 3.130 ( -0.990 3.488 1.013) 3.764 3.221 ( 4.275 1.563 3.776) 5.915 3.237 ( 0.951 -0.202 0.826) 1.275 3.441 ( -7.500 -3.691 0.116) 8.360 3.490 ( 0.125 -3.849 3.655) 5.309 3.526 ( -1.564 -1.889 -1.268) 2.761 3.539 ( -2.875 -4.030 2.373) 5.490 3.607 ( -0.592 -1.383 2.919) 3.284 3.645 ( -1.382 -4.183 1.854) 4.780 3.782 ( 2.169 0.307 1.547) 2.681 3.813 ( -0.764 1.477 -0.289) 1.688 3.911 ( -1.450 -5.740 0.400) 5.934 4.020 ( 1.440 -5.386 0.936) 5.654 4.063 ( 2.664 -2.093 -3.669) 4.994 4.313 ( -1.846 6.913 3.266) 7.865 4.569 ( -5.667 8.010 -7.724) 12.487 4.741 ( -0.025 -0.807 0.700) 1.069 4.891 ( 2.060 -0.448 2.023) 2.921 4.929 ( -0.602 0.437 -2.334) 2.450 5.115 ( -1.344 -1.098 -0.126) 1.740 5.433 ( -2.069 2.125 7.906) 8.444 5.563 ( 1.851 -6.562 3.154) 7.513 5.670 ( 0.931 -3.015 4.777) 5.725 5.897 ( 1.573 -7.495 0.604) 7.682 6.302 ( 2.545 6.373 -0.816) 6.911 6.525 ( -2.618 4.812 -7.638) 9.399 6.824 ( 0.526 0.444 -1.096) 1.294 6.930 ( 6.357 -1.259 -7.126) 9.631 7.586 ( 5.998 3.404 7.383) 10.103 7.679 ( 2.594 1.242 2.915) 4.095 8.418 ( -10.303 -1.240 1.238) 10.451 8.469 ( -0.387 -2.568 2.221) 3.417 8.587 ( -4.222 -1.275 -3.311) 5.515 8.640 ( 0.865 -1.731 -2.107) 2.861 8.971 ( 2.001 8.356 0.535) 8.609 9.105 ( -9.030 7.402 -4.861) 12.647 9.448 ( 5.625 -3.536 4.674) 8.123 9.687 ( -2.567 -8.898 1.440) 9.372 9.872 ( 0.440 -0.409 -0.024) 0.601 9.894 ( -0.002 -1.039 -0.423) 1.122 11.042 ( -0.384 1.539 -1.177) 1.975 11.068 ( -0.002 2.386 -2.622) 3.545 11.205 ( -0.747 -0.160 1.862) 2.013 11.346 ( 1.123 -2.892 -1.479) 3.437 12.271 ( 0.117 3.230 1.331) 3.496 12.460 ( -0.677 2.726 -5.283) 5.983 12.822 ( -1.793 0.422 0.620) 1.944 12.880 ( 0.170 -0.989 -0.401) 1.081 13.240 ( -1.171 0.701 2.486) 2.836 13.390 ( 1.947 -1.623 -1.578) 2.985 14.900 ( -0.840 -0.437 -0.064) 0.949 14.953 ( 0.208 -0.948 -0.610) 1.146 14.991 ( 2.670 0.083 0.994) 2.850 15.038 ( -2.635 -2.281 1.488) 3.789 15.416 ( 0.503 1.668 0.540) 1.824 15.525 ( -1.712 -0.130 -3.417) 3.824 15.663 ( 0.835 0.361 1.638) 1.874 15.759 ( -0.801 -1.599 -0.704) 1.922 16.222 ( -1.686 -0.004 0.313) 1.714 16.238 ( 9.559 -0.946 0.522) 9.620 16.583 ( -1.924 0.185 0.600) 2.024 16.597 ( -0.015 -0.150 0.399) 0.426 16.777 ( 0.873 0.434 0.344) 1.034 16.820 ( -0.430 -0.660 -0.358) 0.865 16.850 ( -0.966 0.977 -0.704) 1.543 16.875 ( 3.549 -0.096 -0.639) 3.607 26.415 ( -0.387 -0.855 -0.910) 1.307 26.441 ( -0.356 1.396 -2.392) 2.792 26.500 ( 1.671 -1.296 1.887) 2.834 26.585 ( -0.509 -0.789 -1.657) 1.905 27.020 ( 1.137 3.082 3.719) 4.962 27.147 ( 0.775 5.585 -2.557) 6.191 27.657 ( -2.736 1.112 -5.830) 6.536 27.771 ( -5.031 2.120 -8.422) 10.037 28.360 ( -0.526 5.377 9.660) 11.068 28.712 ( 17.835 -6.179 6.344) 19.912 28.906 ( 13.566 2.278 -3.787) 14.267 28.992 ( -2.575 -0.240 -1.747) 3.121 29.058 ( 0.280 -0.061 -0.056) 0.292 29.228 ( -2.518 -5.645 -6.124) 8.701 29.990 ( -6.914 -2.621 9.825) 12.297 30.193 ( -7.040 -5.514 4.664) 10.086 ======================= Grid point 54 (25/63) ======================= q-point: ( 0.12 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.419 ( 4.021 9.029 6.224) 11.680 0.533 ( 9.591 4.490 6.591) 12.473 0.633 ( 2.043 3.105 1.713) 4.092 0.883 ( 7.065 3.591 -2.415) 8.285 0.910 ( 1.125 1.424 -1.340) 2.256 0.974 ( 1.527 -1.348 -2.166) 2.973 1.012 ( -0.283 0.503 2.242) 2.315 1.041 ( 3.516 2.132 -0.116) 4.114 1.106 ( 8.583 2.029 -1.173) 8.897 1.148 ( 7.170 3.012 1.948) 8.017 1.234 ( 5.241 4.425 2.039) 7.156 1.273 ( 0.932 -3.307 0.510) 3.474 1.299 ( 4.505 3.930 2.410) 6.445 1.330 ( 2.528 -2.450 0.117) 3.523 1.359 ( 2.634 0.886 0.778) 2.886 1.418 ( 11.626 -3.607 1.266) 12.239 1.423 ( 5.414 -5.726 0.527) 7.898 1.504 ( 6.818 -1.234 0.558) 6.951 1.580 ( 2.326 0.664 -2.269) 3.316 1.604 ( 1.726 0.369 3.556) 3.969 1.625 ( -1.957 -1.175 0.136) 2.287 1.847 ( 0.322 -1.210 0.403) 1.316 1.857 ( 3.657 -2.428 -2.351) 4.979 1.953 ( 2.815 0.569 -2.575) 3.857 2.028 ( 2.959 4.594 -3.002) 6.235 2.074 ( -0.866 -1.071 -2.143) 2.547 2.250 ( 0.241 -0.790 1.709) 1.899 2.299 ( 0.728 -4.809 0.451) 4.885 2.632 ( -0.895 2.053 2.818) 3.600 2.783 ( -4.758 -2.262 -0.250) 5.274 2.912 ( -2.286 0.611 3.842) 4.513 2.974 ( -3.092 -0.866 2.097) 3.835 3.100 ( -2.922 4.230 1.481) 5.350 3.178 ( -6.528 1.860 3.568) 7.668 3.267 ( -4.640 2.665 -0.598) 5.384 3.324 ( 1.001 -1.045 1.654) 2.198 3.448 ( -4.003 -3.702 -0.430) 5.469 3.504 ( -1.936 -0.867 3.117) 3.771 3.565 ( 1.417 -1.335 2.266) 2.988 3.583 ( -2.692 -4.103 -0.406) 4.924 3.610 ( 1.735 -0.036 2.163) 2.773 3.763 ( -2.344 1.017 1.344) 2.887 3.817 ( -2.492 -0.280 2.065) 3.248 3.902 ( 0.706 -7.431 -0.334) 7.472 4.033 ( 0.160 -2.884 -0.821) 3.003 4.099 ( 0.523 -2.481 -2.957) 3.895 4.303 ( 0.318 7.582 1.584) 7.753 4.473 ( -1.998 7.165 -3.337) 8.152 4.724 ( -1.900 -1.228 1.200) 2.561 4.889 ( -0.884 -1.129 -3.446) 3.732 4.954 ( 2.101 0.258 2.549) 3.313 5.063 ( -3.111 1.305 -1.418) 3.660 5.381 ( -2.561 4.697 5.102) 7.392 5.603 ( 0.668 -6.674 4.792) 8.243 5.685 ( 0.036 -1.644 3.840) 4.177 5.926 ( 0.919 -7.755 -0.620) 7.834 6.322 ( -0.858 3.399 0.667) 3.569 6.399 ( -7.659 6.652 -4.400) 11.058 6.818 ( -0.408 0.187 -2.170) 2.216 6.924 ( -3.057 -1.796 -4.506) 5.734 7.640 ( -1.438 1.997 6.058) 6.539 7.673 ( -4.529 2.669 8.028) 9.596 8.209 ( -6.471 0.265 -5.005) 8.184 8.410 ( -7.662 -2.958 -3.904) 9.094 8.589 ( -3.512 0.508 0.854) 3.650 8.605 ( 4.124 2.068 -4.565) 6.491 9.007 ( 1.606 4.220 3.987) 6.024 9.124 ( 7.616 5.675 -2.872) 9.923 9.603 ( 8.645 -2.522 4.791) 10.201 9.701 ( 4.886 -7.150 -2.423) 8.993 9.971 ( 9.534 -0.670 -0.248) 9.561 10.003 ( 10.254 -0.266 -0.474) 10.268 11.016 ( -1.591 0.939 -0.679) 1.968 11.060 ( -0.401 1.471 -1.671) 2.263 11.177 ( -2.177 0.764 0.780) 2.435 11.353 ( 0.020 -2.887 -0.580) 2.945 12.183 ( -8.820 3.063 0.818) 9.372 12.273 ( -12.917 3.401 -0.211) 13.359 12.804 ( -0.469 0.156 -0.195) 0.532 12.923 ( 2.553 -3.992 0.281) 4.748 13.227 ( 0.786 5.345 1.441) 5.591 13.486 ( 6.925 -2.075 -0.424) 7.242 14.869 ( -1.871 -0.248 -0.278) 1.908 14.900 ( -4.642 0.423 -0.462) 4.684 14.982 ( -1.990 -0.451 1.450) 2.503 15.022 ( -0.025 -0.600 -0.302) 0.672 15.391 ( -2.400 0.576 -0.183) 2.475 15.413 ( -4.541 0.269 -0.265) 4.557 15.670 ( -0.011 -0.177 1.936) 1.944 15.720 ( -2.716 -0.998 -1.413) 3.220 16.035 ( -10.319 0.720 -0.192) 10.346 16.181 ( -11.168 -4.786 -0.760) 12.174 16.749 ( 2.555 0.134 -0.353) 2.582 16.769 ( 2.658 -0.038 -1.224) 2.926 16.811 ( 3.596 2.065 0.724) 4.210 16.908 ( 16.796 -0.483 0.442) 16.809 16.982 ( 11.883 0.349 -0.372) 11.894 17.165 ( 23.315 -7.745 -5.920) 25.271 26.398 ( -0.729 0.846 -0.971) 1.480 26.446 ( 0.962 -0.662 -2.196) 2.488 26.524 ( 0.375 -1.319 1.292) 1.884 26.573 ( -0.190 -0.935 -2.071) 2.281 27.045 ( 0.686 2.822 3.585) 4.614 27.138 ( -1.176 7.179 -2.757) 7.779 27.476 ( -9.613 3.285 3.617) 10.784 27.697 ( -2.099 -0.392 -2.342) 3.169 28.327 ( -2.376 5.164 10.019) 11.520 28.737 ( -4.659 -2.638 -1.973) 5.706 28.962 ( -0.437 0.145 -4.648) 4.671 29.062 ( 0.224 0.298 -0.806) 0.888 29.141 ( -2.589 -6.217 -2.126) 7.062 29.419 ( 16.085 -15.051 -5.345) 22.668 29.756 ( -11.909 5.412 8.287) 15.486 30.027 ( -10.011 0.323 3.131) 10.494 ======================= Grid point 55 (26/63) ======================= q-point: ( 0.25 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 101 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.522 ( 5.188 4.048 4.404) 7.918 0.697 ( 3.788 1.415 0.133) 4.046 0.775 ( 10.917 1.934 4.760) 12.066 0.918 ( -0.286 1.532 0.470) 1.628 0.946 ( 0.421 0.686 -0.196) 0.828 0.991 ( 1.172 -1.276 -1.163) 2.086 1.034 ( 2.766 -1.093 0.667) 3.048 1.124 ( 3.839 1.601 -1.000) 4.278 1.197 ( 0.168 0.694 -1.346) 1.524 1.238 ( 1.211 1.167 0.019) 1.683 1.286 ( 3.724 -0.156 -2.093) 4.275 1.321 ( 3.816 0.058 2.006) 4.312 1.352 ( 0.217 -1.932 1.119) 2.243 1.413 ( 7.135 -1.898 -4.148) 8.468 1.472 ( 2.100 -1.112 1.745) 2.948 1.499 ( 1.496 -0.565 1.064) 1.921 1.603 ( 1.578 -0.830 1.152) 2.123 1.678 ( 10.380 -0.222 2.711) 10.731 1.705 ( 8.344 -1.200 -0.923) 8.480 1.731 ( 8.685 2.059 -2.157) 9.183 1.796 ( 18.462 -1.468 1.898) 18.617 1.870 ( 6.776 1.061 1.037) 6.937 1.920 ( 1.152 1.098 -0.715) 1.744 2.012 ( 4.797 -0.696 0.451) 4.868 2.062 ( 1.270 -0.161 -3.940) 4.143 2.128 ( 3.669 -0.724 -2.084) 4.281 2.250 ( 1.590 -0.687 4.281) 4.618 2.355 ( 4.550 0.298 -0.908) 4.649 2.649 ( 2.796 0.032 0.933) 2.948 2.665 ( -6.023 -0.216 -1.207) 6.146 2.881 ( -1.297 2.758 1.646) 3.464 2.915 ( -2.979 -0.341 3.920) 4.935 3.029 ( -4.572 5.137 2.568) 7.341 3.056 ( -3.863 2.939 0.650) 4.897 3.200 ( -3.522 0.159 -1.461) 3.817 3.278 ( -4.556 -2.773 2.685) 5.971 3.379 ( -2.913 -2.643 -1.218) 4.118 3.421 ( -5.866 0.067 0.534) 5.891 3.539 ( -1.868 -1.190 3.248) 3.932 3.580 ( -1.989 -2.339 2.676) 4.073 3.641 ( -1.279 1.440 0.145) 1.931 3.719 ( -2.986 0.086 1.512) 3.348 3.770 ( 1.340 -1.234 1.933) 2.656 3.901 ( -1.150 -5.212 0.561) 5.367 4.023 ( -1.090 -0.230 -1.739) 2.065 4.073 ( -2.910 -1.207 -2.662) 4.125 4.317 ( 1.243 5.390 -0.515) 5.555 4.480 ( 2.467 6.857 -0.076) 7.288 4.674 ( -3.026 -1.124 0.951) 3.365 4.881 ( 0.272 -0.994 -3.555) 3.702 4.967 ( -1.474 0.452 0.731) 1.706 5.026 ( 0.518 -1.606 1.088) 2.008 5.358 ( -0.982 3.546 4.013) 5.444 5.613 ( -0.450 -5.550 3.985) 6.848 5.679 ( -1.445 -1.043 4.414) 4.761 5.928 ( -0.467 -5.882 -1.889) 6.196 6.226 ( -7.619 4.791 -1.663) 9.153 6.280 ( -4.115 4.449 -0.180) 6.063 6.811 ( 0.246 -1.368 -2.503) 2.864 6.865 ( -1.901 -1.117 -3.144) 3.840 7.524 ( -7.964 3.277 4.422) 9.681 7.665 ( 0.236 0.371 7.665) 7.677 8.058 ( -7.820 -1.697 -5.682) 9.814 8.219 ( -8.638 -2.093 -5.381) 10.390 8.550 ( -1.290 1.471 1.104) 2.246 8.666 ( 2.645 3.652 -5.786) 7.336 9.056 ( 1.759 -1.732 6.339) 6.802 9.260 ( 5.644 2.972 -1.779) 6.621 9.789 ( 8.684 -1.037 3.379) 9.375 9.855 ( 9.899 -4.850 -3.811) 11.663 10.243 ( 17.116 0.111 -0.053) 17.116 10.272 ( 16.317 0.604 -0.361) 16.332 10.986 ( -1.316 -0.307 -0.257) 1.376 11.034 ( -2.079 -0.523 -1.878) 2.850 11.141 ( -0.996 2.922 0.331) 3.105 11.347 ( -0.592 -2.399 0.353) 2.496 11.951 ( -13.689 2.004 -0.067) 13.835 12.004 ( -14.387 1.494 1.250) 14.518 12.797 ( -0.192 0.265 -0.397) 0.515 12.955 ( 0.795 -6.375 1.538) 6.606 13.286 ( 3.936 8.807 1.457) 9.756 13.628 ( 6.765 -2.180 -1.427) 7.249 14.809 ( -4.390 0.152 0.149) 4.395 14.845 ( -0.001 0.551 -2.104) 2.175 14.919 ( -3.710 -0.626 0.828) 3.853 15.020 ( -0.231 -1.975 -1.237) 2.342 15.347 ( -2.504 -0.678 -0.011) 2.594 15.348 ( -1.607 -0.759 -1.093) 2.086 15.658 ( -1.944 -0.788 -0.361) 2.129 15.669 ( -1.406 -0.684 0.702) 1.714 15.874 ( -6.120 1.304 0.358) 6.268 15.949 ( -10.691 -1.157 0.687) 10.776 16.776 ( 1.370 0.244 -0.160) 1.401 16.794 ( 1.210 -0.495 0.171) 1.319 16.883 ( 3.340 3.695 -0.411) 4.998 17.102 ( 3.871 -2.313 -0.437) 4.531 17.334 ( 19.085 1.739 1.398) 19.215 17.579 ( 18.012 -5.206 -5.307) 19.486 26.392 ( 0.332 1.305 -0.572) 1.463 26.467 ( 1.576 -0.222 -2.259) 2.763 26.524 ( -0.520 -1.001 1.136) 1.600 26.574 ( 0.680 -1.166 -2.327) 2.690 27.059 ( 0.046 2.341 3.011) 3.815 27.104 ( -1.337 7.468 -1.566) 7.747 27.351 ( -4.889 0.673 7.532) 9.005 27.646 ( -2.682 -2.357 -1.443) 3.851 28.304 ( -1.811 4.135 7.646) 8.880 28.628 ( -4.560 -2.082 -5.104) 7.154 28.914 ( -4.114 0.735 -5.842) 7.183 29.015 ( -4.387 -2.269 1.455) 5.149 29.148 ( 2.647 -0.282 -0.884) 2.805 29.368 ( -11.271 0.750 8.642) 14.223 29.744 ( -0.757 -4.084 -1.660) 4.473 29.855 ( -2.693 -3.096 -3.655) 5.495 ======================= Grid point 56 (27/63) ======================= q-point: ( 0.38 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.631 ( 4.796 2.565 2.181) 5.860 0.767 ( 2.924 -0.219 0.445) 2.965 0.869 ( -0.655 0.256 1.245) 1.430 0.907 ( -1.363 0.363 1.394) 1.983 0.971 ( 1.811 2.672 -0.362) 3.248 1.009 ( 0.247 2.385 -0.731) 2.506 1.152 ( 6.169 -3.419 -0.851) 7.104 1.175 ( 2.359 0.513 0.510) 2.467 1.204 ( 2.654 0.131 -1.422) 3.014 1.227 ( -1.086 -0.899 2.677) 3.026 1.323 ( -0.769 -1.318 -0.020) 1.526 1.362 ( 2.471 2.562 -0.178) 3.564 1.417 ( 2.507 -1.214 2.941) 4.051 1.483 ( 1.498 0.111 2.396) 2.828 1.504 ( 1.286 -3.029 2.282) 4.004 1.593 ( 8.527 0.594 -3.693) 9.312 1.660 ( 3.032 1.407 0.082) 3.344 1.761 ( -2.603 0.874 -3.078) 4.124 1.789 ( 0.331 1.393 -1.131) 1.825 1.873 ( 2.886 -0.197 -2.329) 3.713 1.883 ( 0.373 -3.480 0.075) 3.501 1.966 ( 5.272 -5.458 -0.532) 7.607 2.049 ( 0.125 -0.396 0.130) 0.435 2.125 ( 3.455 -1.824 -1.640) 4.237 2.210 ( 7.440 -0.946 0.332) 7.508 2.227 ( 6.443 0.861 3.201) 7.245 2.340 ( 10.956 4.468 1.228) 11.895 2.468 ( 5.264 -1.478 -0.263) 5.473 2.619 ( 4.589 1.240 -2.532) 5.385 2.740 ( 3.192 -1.164 1.783) 3.837 2.865 ( -0.652 2.789 4.397) 5.248 2.882 ( -0.227 3.059 1.622) 3.470 2.975 ( -1.222 3.985 -1.009) 4.289 3.003 ( -0.899 1.148 0.134) 1.464 3.115 ( -4.626 0.252 -0.573) 4.668 3.212 ( -3.389 -3.824 2.594) 5.731 3.264 ( -5.513 -0.507 2.092) 5.918 3.348 ( -2.892 -1.861 -1.490) 3.748 3.477 ( -3.624 -0.550 1.445) 3.940 3.524 ( -2.267 -1.916 1.670) 3.406 3.606 ( -2.595 1.195 1.550) 3.251 3.640 ( -4.719 1.846 1.793) 5.375 3.839 ( 2.754 0.481 0.628) 2.865 3.866 ( -2.758 -0.773 -1.351) 3.167 3.966 ( -2.044 0.063 -0.384) 2.081 4.008 ( -2.639 0.704 -0.608) 2.798 4.365 ( 3.106 1.074 0.603) 3.341 4.538 ( 2.481 5.083 0.319) 5.665 4.625 ( -1.283 0.704 0.556) 1.565 4.842 ( -3.252 1.957 -0.760) 3.871 4.983 ( 2.966 -1.756 -0.552) 3.491 5.047 ( 0.742 -3.089 1.027) 3.339 5.346 ( -1.032 2.550 3.423) 4.391 5.581 ( -3.602 -3.122 2.802) 5.529 5.661 ( -0.872 -1.536 3.038) 3.514 5.900 ( -1.901 -4.717 -2.164) 5.526 6.104 ( -3.624 4.442 -0.291) 5.740 6.194 ( -3.843 2.111 -0.351) 4.398 6.807 ( -0.495 -2.098 -3.043) 3.729 6.836 ( -0.394 -2.466 -3.387) 4.208 7.393 ( -5.284 4.292 3.911) 7.851 7.678 ( -0.311 -0.113 3.672) 3.687 7.907 ( -5.603 -2.890 -2.880) 6.931 8.084 ( -3.596 -2.340 -4.165) 5.979 8.532 ( -0.684 2.169 0.962) 2.470 8.695 ( 1.496 6.117 -5.248) 8.197 9.087 ( 0.241 -5.476 5.914) 8.063 9.338 ( 2.719 1.561 -2.416) 3.958 9.941 ( 5.511 0.038 2.376) 6.002 10.031 ( 7.396 -3.844 -2.804) 8.794 10.607 ( 16.943 0.750 1.844) 17.060 10.617 ( 17.860 0.856 -1.224) 17.923 10.953 ( -2.170 -0.471 -1.258) 2.552 10.993 ( -0.789 -2.047 -1.694) 2.771 11.147 ( 2.005 3.714 -0.237) 4.227 11.320 ( -3.386 -0.747 2.148) 4.079 11.669 ( -13.911 -0.188 -0.054) 13.913 11.713 ( -13.680 0.692 -0.062) 13.698 12.798 ( 0.388 0.443 0.293) 0.657 12.975 ( 0.863 -6.782 3.574) 7.714 13.351 ( 1.879 9.608 0.224) 9.792 13.727 ( 3.254 -2.308 -3.605) 5.377 14.730 ( -3.377 0.617 0.858) 3.539 14.862 ( -1.225 -1.082 -1.987) 2.572 14.864 ( 1.655 -0.398 -1.499) 2.268 15.004 ( -1.127 -1.963 -1.436) 2.681 15.306 ( -1.640 -1.327 -0.328) 2.135 15.323 ( -0.734 -1.750 -1.274) 2.286 15.623 ( -1.372 -0.387 0.434) 1.490 15.640 ( -1.583 -0.294 0.898) 1.844 15.785 ( -2.974 1.585 0.613) 3.425 15.791 ( -5.036 1.233 1.215) 5.325 16.802 ( 0.899 0.327 0.030) 0.957 16.822 ( 1.541 -0.245 2.539) 2.980 16.943 ( 2.760 2.942 -1.498) 4.303 17.125 ( -0.866 -1.667 -0.800) 2.042 17.643 ( 10.805 1.829 1.752) 11.098 17.852 ( 10.037 -3.092 -3.595) 11.100 26.408 ( 1.237 1.109 -0.193) 1.672 26.495 ( 0.630 -0.586 -0.709) 1.115 26.513 ( 0.124 0.227 -0.598) 0.652 26.587 ( 0.958 -0.980 -2.211) 2.601 27.055 ( -1.035 2.125 2.682) 3.575 27.090 ( 0.050 6.057 -0.714) 6.099 27.285 ( -3.262 -0.024 6.917) 7.647 27.591 ( -2.325 -3.201 -1.411) 4.201 28.281 ( -1.770 3.436 5.389) 6.632 28.576 ( 0.733 -2.310 -4.280) 4.919 28.788 ( -6.543 1.191 -3.416) 7.476 28.900 ( -7.061 -1.313 1.493) 7.336 29.194 ( -0.861 1.792 1.778) 2.667 29.234 ( 0.028 2.288 -0.952) 2.479 29.623 ( -7.140 -0.880 6.329) 9.582 29.898 ( 3.786 -7.789 -7.783) 11.644 ======================= Grid point 57 (28/63) ======================= q-point: (-0.50 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 101 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.707 ( 2.048 2.412 2.835) 4.249 0.807 ( 0.515 -0.309 0.930) 1.107 0.850 ( -0.876 0.606 0.563) 1.205 0.880 ( -0.736 -0.607 0.106) 0.959 0.992 ( 0.659 3.951 -0.680) 4.062 1.016 ( 0.677 2.299 -0.956) 2.580 1.149 ( -1.480 -2.279 -0.925) 2.871 1.204 ( -1.067 -1.165 0.463) 1.646 1.213 ( 0.521 -2.183 0.569) 2.315 1.300 ( 1.549 -0.724 -1.654) 2.379 1.330 ( 1.098 -3.338 2.074) 4.080 1.361 ( -1.935 1.948 3.078) 4.125 1.463 ( 1.756 1.964 0.979) 2.811 1.501 ( -4.019 1.576 1.538) 4.583 1.573 ( -4.723 3.153 2.678) 6.278 1.625 ( 7.117 -2.551 2.804) 8.063 1.689 ( 0.830 0.389 -0.765) 1.194 1.756 ( 5.049 1.394 -2.839) 5.958 1.808 ( -0.121 -0.205 -1.782) 1.798 1.849 ( -0.737 -2.440 -2.764) 3.760 1.880 ( -3.203 -1.673 -1.618) 3.960 2.020 ( -1.766 -3.593 -0.836) 4.090 2.056 ( -1.123 0.165 -0.092) 1.138 2.122 ( 2.773 -4.348 -1.897) 5.494 2.244 ( -2.197 1.669 2.172) 3.511 2.317 ( 1.314 -1.749 1.804) 2.835 2.503 ( -2.720 2.074 -2.493) 4.233 2.537 ( 0.320 0.878 -1.996) 2.204 2.680 ( -5.231 0.937 2.865) 6.038 2.757 ( 4.271 -0.009 0.832) 4.351 2.875 ( 2.012 1.820 3.045) 4.078 2.928 ( 1.446 1.879 1.951) 3.070 2.982 ( -1.786 -1.270 1.318) 2.558 2.999 ( 2.451 1.490 -2.133) 3.574 3.070 ( 1.814 0.965 -1.512) 2.551 3.128 ( -0.421 3.276 1.402) 3.588 3.263 ( -0.495 -3.689 3.763) 5.293 3.275 ( -1.142 -5.279 -1.305) 5.557 3.432 ( -0.203 0.771 0.693) 1.057 3.499 ( -1.439 0.062 1.742) 2.260 3.581 ( 0.992 0.573 3.668) 3.843 3.606 ( 2.610 2.210 0.944) 3.547 3.813 ( -0.854 0.553 -2.003) 2.247 3.823 ( -3.369 1.843 -2.765) 4.732 3.988 ( 1.132 0.446 1.637) 2.039 3.994 ( 2.725 1.695 1.437) 3.516 4.403 ( -0.283 -0.722 2.353) 2.477 4.581 ( 2.963 0.788 -1.538) 3.430 4.639 ( 1.600 2.497 1.915) 3.530 4.787 ( -1.764 5.069 0.894) 5.441 5.037 ( 1.248 -2.735 -0.194) 3.012 5.048 ( -0.563 -1.195 0.194) 1.335 5.326 ( -1.523 1.624 3.097) 3.815 5.514 ( -2.567 -2.125 1.418) 3.622 5.635 ( -2.385 -0.459 0.814) 2.561 5.867 ( -0.198 -4.988 -1.986) 5.373 6.090 ( 1.757 3.933 0.482) 4.335 6.145 ( -0.815 0.186 0.083) 0.840 6.785 ( -0.880 -2.507 -3.531) 4.419 6.824 ( -0.311 -2.711 -4.043) 4.878 7.341 ( -0.595 4.640 3.545) 5.870 7.660 ( -1.989 0.422 1.105) 2.314 7.850 ( 0.645 -3.437 -1.494) 3.803 8.066 ( 2.328 -2.981 -2.303) 4.428 8.526 ( -0.103 2.480 0.956) 2.660 8.708 ( 0.829 7.641 -5.018) 9.179 9.091 ( -0.781 -7.565 5.455) 9.360 9.363 ( 0.462 0.403 -2.878) 2.943 9.999 ( -0.419 0.990 1.983) 2.255 10.116 ( 1.271 -3.183 -1.680) 3.817 10.761 ( -3.939 1.409 1.366) 4.401 10.898 ( -0.983 -3.032 0.581) 3.240 10.952 ( 9.179 1.136 -3.010) 9.727 11.003 ( 2.920 0.842 -2.092) 3.689 11.162 ( -10.298 1.937 2.117) 10.690 11.259 ( 5.807 0.783 0.204) 5.863 11.428 ( -5.150 0.599 2.192) 5.629 11.592 ( 2.808 -1.850 -1.861) 3.844 12.815 ( 1.084 0.662 1.903) 2.288 13.000 ( 0.711 -6.710 3.931) 7.809 13.355 ( -1.215 9.613 -0.484) 9.701 13.737 ( -1.407 -2.456 -5.546) 6.226 14.686 ( -0.982 0.951 0.528) 1.466 14.848 ( 0.258 -3.366 -0.381) 3.397 14.909 ( 2.609 0.608 -3.537) 4.437 14.975 ( -1.367 -0.923 -1.264) 2.078 15.283 ( -0.497 -1.860 -0.694) 2.047 15.313 ( 0.032 -2.545 -1.015) 2.740 15.600 ( -0.592 1.598 1.666) 2.383 15.638 ( 1.202 -0.197 0.681) 1.396 15.741 ( -0.704 1.164 0.911) 1.637 15.756 ( -0.071 1.449 0.644) 1.587 16.806 ( -0.456 0.923 1.157) 1.549 16.866 ( 2.031 -0.415 3.483) 4.053 16.978 ( 0.510 1.686 -2.070) 2.719 17.091 ( -1.465 -0.957 -1.608) 2.376 17.751 ( -0.406 1.940 1.654) 2.581 17.954 ( 0.546 -2.680 -2.881) 3.973 26.434 ( 1.188 0.364 -0.311) 1.281 26.475 ( -1.663 -0.681 1.374) 2.262 26.534 ( 1.017 1.012 -2.787) 3.135 26.599 ( 0.636 -0.565 -1.718) 1.917 27.033 ( -1.553 2.027 2.196) 3.367 27.094 ( 0.306 5.284 -0.346) 5.304 27.251 ( -1.249 0.383 6.483) 6.613 27.562 ( 0.027 -2.844 -1.712) 3.320 28.254 ( -1.740 3.007 3.675) 5.057 28.609 ( -0.092 -6.208 -2.167) 6.576 28.708 ( 1.559 2.514 0.444) 2.991 28.801 ( -0.633 1.703 -2.727) 3.277 29.154 ( -1.806 2.109 1.025) 2.960 29.300 ( 4.454 0.798 -3.124) 5.498 29.512 ( -5.183 0.583 6.283) 8.166 29.956 ( 3.438 -8.164 -5.151) 10.248 ======================= Grid point 58 (29/63) ======================= q-point: (-0.38 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.711 ( -2.187 2.863 4.623) 5.861 0.774 ( -3.586 2.934 1.664) 4.923 0.844 ( -0.607 -0.691 1.452) 1.719 0.890 ( 1.343 -0.805 -1.572) 2.218 1.003 ( 0.044 2.900 -0.319) 2.918 1.030 ( 1.014 0.809 -0.626) 1.440 1.089 ( -5.186 -3.510 -1.947) 6.558 1.191 ( -0.195 -1.065 -1.206) 1.621 1.205 ( -1.192 -2.367 1.268) 2.938 1.250 ( -6.966 0.878 1.848) 7.260 1.301 ( -3.085 1.318 2.967) 4.479 1.358 ( 2.442 -2.225 -1.608) 3.674 1.407 ( -1.037 1.437 -0.076) 1.774 1.469 ( -6.229 1.683 2.438) 6.898 1.505 ( 0.596 3.099 2.413) 3.973 1.634 ( -5.194 0.792 0.693) 5.300 1.731 ( -5.666 -1.100 -2.854) 6.439 1.749 ( -6.811 -3.674 -0.450) 7.752 1.800 ( -0.228 -0.606 -2.699) 2.776 1.837 ( 1.067 -2.681 -2.068) 3.550 1.877 ( 5.288 -0.595 0.532) 5.348 1.975 ( -2.301 -0.619 -1.273) 2.702 2.008 ( -2.188 -0.174 -1.190) 2.497 2.107 ( -8.678 -1.536 0.117) 8.813 2.176 ( -4.088 -1.757 1.634) 4.740 2.277 ( -18.110 5.722 -0.802) 19.009 2.322 ( 0.243 -5.717 3.023) 6.472 2.417 ( -3.568 3.665 -2.281) 5.601 2.611 ( -2.665 3.178 -1.045) 4.277 2.727 ( -3.937 2.473 1.567) 4.906 2.873 ( -4.337 2.182 1.234) 5.009 2.937 ( -0.349 -1.550 4.195) 4.486 2.964 ( 0.614 -0.587 -0.619) 1.051 3.122 ( 4.806 1.295 -0.143) 4.980 3.148 ( 9.878 -0.520 0.388) 9.899 3.201 ( 3.752 2.490 2.961) 5.389 3.265 ( 2.710 -3.793 2.782) 5.428 3.351 ( 6.778 -2.826 0.037) 7.343 3.458 ( 2.021 -0.443 -0.812) 2.223 3.512 ( 2.498 0.886 2.372) 3.556 3.629 ( 1.541 -1.422 2.838) 3.529 3.694 ( 3.876 -0.305 2.338) 4.537 3.744 ( -0.838 1.561 -1.760) 2.497 3.842 ( 1.796 -1.104 -1.308) 2.481 4.030 ( 0.222 1.097 0.014) 1.119 4.047 ( 4.188 -0.554 0.641) 4.272 4.382 ( -1.370 1.448 1.182) 2.318 4.638 ( 2.297 -1.451 1.941) 3.339 4.674 ( 1.100 2.819 3.685) 4.768 4.788 ( 2.041 6.786 -2.872) 7.646 4.993 ( -3.544 -1.933 -0.515) 4.070 5.055 ( -0.404 1.071 2.084) 2.378 5.307 ( -0.606 0.280 2.837) 2.915 5.496 ( 0.234 -3.145 1.434) 3.464 5.589 ( -1.496 1.059 -0.458) 1.889 5.889 ( 2.058 -6.306 -1.723) 6.853 6.149 ( 3.383 5.100 -0.823) 6.176 6.170 ( 3.698 0.801 0.575) 3.827 6.765 ( -0.336 -2.328 -3.663) 4.353 6.814 ( 0.153 -1.701 -3.793) 4.160 7.375 ( 3.079 3.409 3.113) 5.549 7.606 ( -3.386 0.272 1.515) 3.720 7.933 ( 7.876 -2.523 -2.573) 8.661 8.156 ( 6.701 -3.304 -1.506) 7.622 8.530 ( 0.183 2.245 0.827) 2.400 8.714 ( 0.908 7.274 -5.072) 8.914 9.079 ( -1.451 -7.954 5.545) 9.804 9.355 ( -0.538 -1.000 -2.033) 2.329 9.922 ( -7.599 2.141 1.041) 7.963 10.074 ( -5.077 -2.507 -0.718) 5.707 10.555 ( -14.839 1.165 -0.197) 14.886 10.653 ( -18.444 -1.079 0.377) 18.479 11.015 ( -0.145 1.338 1.615) 2.102 11.056 ( -0.515 2.034 -1.475) 2.565 11.141 ( 6.001 -0.815 -4.313) 7.435 11.213 ( -2.558 -2.023 3.279) 4.625 11.646 ( 16.548 1.833 -0.019) 16.650 11.751 ( 11.507 -0.463 0.307) 11.521 12.843 ( 1.145 0.719 3.405) 3.663 13.007 ( -0.713 -5.434 1.298) 5.632 13.317 ( -2.247 8.122 1.641) 8.585 13.657 ( -5.190 -2.315 -6.239) 8.439 14.698 ( 2.211 1.167 -0.261) 2.513 14.864 ( 1.144 -3.644 0.522) 3.855 14.931 ( -0.018 0.139 -2.902) 2.905 14.968 ( 1.241 0.233 -1.701) 2.119 15.285 ( 0.890 -1.669 -1.080) 2.178 15.322 ( 0.983 -2.754 -0.693) 3.005 15.610 ( 0.936 1.528 0.650) 1.906 15.678 ( 2.285 -0.906 0.968) 2.641 15.766 ( 3.439 1.514 0.671) 3.817 15.788 ( 3.299 1.248 0.874) 3.634 16.793 ( -0.972 1.525 1.139) 2.137 16.905 ( 0.908 -1.058 4.202) 4.427 16.943 ( -2.936 1.889 -1.585) 3.834 17.077 ( -0.180 -1.259 -2.935) 3.199 17.634 ( -11.389 1.961 1.448) 11.647 17.860 ( -9.413 -3.502 -3.374) 10.595 26.440 ( -0.896 -0.310 -0.292) 0.992 26.455 ( -0.020 -0.742 0.753) 1.057 26.530 ( -0.814 1.407 -2.523) 3.002 26.608 ( 0.399 -0.550 -1.290) 1.458 27.005 ( -1.460 2.123 1.733) 3.105 27.099 ( 0.400 5.448 -0.727) 5.511 27.265 ( 1.574 2.103 7.438) 7.888 27.587 ( 2.622 -1.557 -1.822) 3.552 28.225 ( -1.677 2.404 2.188) 3.658 28.578 ( -0.692 -6.779 -1.992) 7.099 28.770 ( 3.658 3.855 -1.069) 5.421 28.925 ( 10.631 0.489 -0.865) 10.677 29.123 ( -1.490 1.832 -0.322) 2.383 29.330 ( -3.455 -2.993 1.433) 4.791 29.502 ( 6.035 4.268 1.379) 7.520 30.024 ( 4.273 -8.739 -2.587) 10.065 ======================= Grid point 59 (30/63) ======================= q-point: (-0.25 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 101 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.655 ( -4.576 3.987 8.641) 10.559 0.675 ( -6.784 3.267 1.902) 7.766 0.786 ( -7.483 1.612 3.027) 8.232 0.907 ( -1.422 -1.353 -0.445) 2.012 0.918 ( -2.159 -1.062 -2.004) 3.132 1.037 ( -0.261 -0.003 -1.164) 1.193 1.049 ( 0.269 -0.408 -0.828) 0.962 1.139 ( -3.694 -0.226 0.251) 3.709 1.181 ( -1.002 -0.238 -0.431) 1.117 1.191 ( -3.104 0.408 -1.216) 3.359 1.251 ( -1.946 -1.321 0.750) 2.469 1.309 ( -7.429 3.350 0.166) 8.151 1.364 ( -1.539 1.172 -0.228) 1.948 1.437 ( 0.582 2.517 -0.785) 2.700 1.487 ( -2.374 -4.847 -1.147) 5.518 1.491 ( -8.807 -1.593 2.041) 9.180 1.590 ( -8.447 -2.004 0.726) 8.712 1.625 ( -5.592 1.278 -1.052) 5.832 1.671 ( -10.275 0.521 -1.508) 10.398 1.704 ( -16.426 2.940 0.044) 16.687 1.773 ( -12.273 1.592 -0.838) 12.404 1.870 ( -2.911 0.165 -0.084) 2.916 1.946 ( -5.360 -1.350 -0.290) 5.535 2.034 ( -0.914 -1.930 -3.052) 3.725 2.049 ( 2.009 2.930 2.256) 4.208 2.158 ( 0.062 -2.784 0.635) 2.856 2.259 ( -4.693 -2.230 1.640) 5.449 2.416 ( -2.393 -0.026 0.986) 2.588 2.587 ( 2.565 1.378 -1.017) 3.084 2.705 ( 2.030 1.885 -0.482) 2.811 2.855 ( 2.747 4.642 1.360) 5.563 2.911 ( -1.414 -2.436 4.585) 5.381 2.999 ( 2.869 1.152 -0.409) 3.119 3.200 ( 2.385 0.734 -0.004) 2.495 3.241 ( 1.507 -0.205 3.284) 3.619 3.340 ( 5.670 -1.446 6.455) 8.713 3.364 ( 6.948 -2.015 -2.576) 7.679 3.476 ( 4.522 -0.622 2.789) 5.349 3.522 ( 4.459 -1.840 -0.337) 4.835 3.572 ( 0.734 -1.319 2.040) 2.537 3.623 ( 1.169 0.560 -1.786) 2.207 3.742 ( 0.900 -2.943 3.400) 4.586 3.814 ( 4.860 -1.971 3.068) 6.076 3.869 ( 1.304 -2.311 -1.147) 2.890 4.003 ( -2.329 -0.481 -1.803) 2.985 4.107 ( 0.768 -3.704 -1.325) 4.008 4.365 ( -0.591 2.707 0.739) 2.868 4.687 ( 1.168 4.173 3.590) 5.627 4.689 ( 0.830 2.351 1.507) 2.913 4.840 ( 3.409 2.642 -4.557) 6.275 4.922 ( -2.856 -0.228 -0.217) 2.873 5.055 ( 0.363 2.437 5.123) 5.685 5.317 ( 1.016 0.332 2.884) 3.076 5.524 ( 2.224 -4.460 4.647) 6.814 5.580 ( 0.202 -0.168 -0.580) 0.637 5.913 ( 0.334 -7.001 -1.957) 7.278 6.203 ( 2.507 6.942 -2.982) 7.960 6.294 ( 8.090 4.574 0.402) 9.303 6.761 ( 0.546 -1.243 -3.215) 3.490 6.815 ( 0.596 -0.391 -3.466) 3.539 7.461 ( 4.229 0.949 2.713) 5.113 7.550 ( -1.773 1.160 3.099) 3.754 8.132 ( 11.757 -2.154 -3.121) 12.353 8.311 ( 8.711 -2.552 -2.081) 9.312 8.533 ( -0.054 1.145 0.369) 1.204 8.732 ( 1.936 4.833 -5.533) 7.598 9.055 ( -2.116 -7.427 6.076) 9.826 9.345 ( -0.065 -2.430 0.425) 2.468 9.708 ( -13.541 3.527 -1.016) 14.030 9.929 ( -8.660 -1.999 0.723) 8.917 10.236 ( -15.759 -0.129 -0.324) 15.763 10.284 ( -17.241 -0.343 -0.080) 17.245 11.017 ( 0.405 1.521 0.925) 1.825 11.054 ( 0.364 2.359 -2.100) 3.179 11.195 ( 0.686 -2.055 3.286) 3.935 11.242 ( 3.857 -1.579 -3.688) 5.566 11.959 ( 14.053 1.839 0.632) 14.187 12.001 ( 13.105 1.860 0.771) 13.258 12.864 ( 0.019 0.351 3.445) 3.463 12.974 ( -2.297 -2.385 -1.504) 3.637 13.283 ( -1.787 4.860 4.318) 6.742 13.527 ( -6.219 -1.622 -5.176) 8.252 14.772 ( 5.091 0.844 -0.947) 5.247 14.886 ( 0.946 -2.232 0.121) 2.427 14.934 ( 0.912 0.515 -0.753) 1.290 14.990 ( 1.216 -0.337 -1.365) 1.858 15.313 ( 2.105 -0.667 -1.185) 2.506 15.350 ( 2.024 -2.056 -0.355) 2.906 15.625 ( 0.482 1.320 -0.091) 1.408 15.725 ( 2.071 -1.392 0.765) 2.610 15.882 ( 7.723 0.243 0.485) 7.742 15.900 ( 8.107 0.507 -0.017) 8.123 16.775 ( -0.987 1.412 0.621) 1.831 16.869 ( -3.433 1.892 -1.498) 4.196 16.917 ( -1.133 -1.017 4.256) 4.520 17.045 ( -2.811 -1.845 -3.219) 4.655 17.322 ( -19.501 1.665 1.197) 19.608 17.565 ( -19.467 -5.669 -5.836) 21.099 26.424 ( -0.464 -0.382 -0.309) 0.675 26.455 ( -0.105 -1.278 0.079) 1.285 26.502 ( -1.316 1.819 -2.149) 3.108 26.607 ( -0.226 -0.727 -1.098) 1.336 26.987 ( -0.563 2.705 1.837) 3.318 27.109 ( 0.868 5.553 -1.595) 5.843 27.354 ( 6.345 6.001 9.156) 12.653 27.648 ( 3.520 0.322 -1.829) 3.980 28.200 ( -1.074 2.164 1.122) 2.663 28.581 ( 0.858 -7.488 -2.556) 7.959 28.841 ( 2.853 5.405 -1.940) 6.413 29.079 ( -0.274 -0.254 1.083) 1.146 29.134 ( 6.609 -0.045 -2.071) 6.926 29.223 ( -6.022 -1.190 1.586) 6.340 29.708 ( 12.720 2.161 0.617) 12.917 30.119 ( 5.390 -9.914 0.608) 11.301 ======================= Grid point 60 (31/63) ======================= q-point: (-0.12 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.490 ( -10.395 5.234 6.826) 13.492 0.579 ( -7.494 8.304 9.383) 14.600 0.623 ( -4.830 1.313 1.921) 5.361 0.879 ( -2.745 0.988 0.760) 3.015 0.921 ( -0.335 -0.146 -4.586) 4.601 0.970 ( -6.396 1.734 1.812) 6.870 0.990 ( -4.063 2.626 -1.565) 5.084 1.061 ( -3.300 0.607 -0.358) 3.374 1.129 ( 0.589 1.033 0.898) 1.490 1.132 ( -7.364 4.893 -1.449) 8.959 1.175 ( -8.660 4.363 1.797) 9.862 1.238 ( -3.203 -2.150 -0.368) 3.875 1.269 ( 0.555 -0.554 -2.050) 2.195 1.273 ( -9.889 2.577 0.873) 10.256 1.353 ( -3.229 -5.010 0.009) 5.961 1.409 ( -5.149 -2.996 1.417) 6.124 1.447 ( -6.013 -2.084 2.621) 6.883 1.507 ( -4.940 -0.072 -1.439) 5.146 1.539 ( 2.494 -1.082 -0.935) 2.875 1.583 ( -3.772 1.857 0.397) 4.223 1.650 ( 0.528 1.826 -0.931) 2.117 1.824 ( -2.011 -0.395 0.936) 2.253 1.874 ( -1.885 -2.367 -0.245) 3.036 1.990 ( -3.693 1.112 -1.146) 4.023 2.075 ( 0.596 -0.397 -0.657) 0.972 2.119 ( -3.707 -0.550 -3.623) 5.212 2.229 ( 0.970 -2.513 2.665) 3.789 2.333 ( -4.097 -2.820 0.197) 4.978 2.650 ( 1.418 2.479 3.480) 4.502 2.778 ( 4.363 0.740 -1.138) 4.570 2.927 ( 2.040 -3.540 2.857) 4.985 2.955 ( 5.886 3.503 2.427) 7.267 3.084 ( 5.253 2.346 1.697) 5.998 3.200 ( -2.359 2.698 0.137) 3.586 3.254 ( -0.600 -1.660 1.834) 2.545 3.446 ( 2.679 -1.056 -1.867) 3.432 3.476 ( 5.690 -3.042 4.135) 7.664 3.524 ( -2.871 -4.279 1.517) 5.371 3.558 ( 2.661 -3.201 4.457) 6.099 3.618 ( 3.469 -1.874 0.290) 3.953 3.663 ( -1.053 -3.091 0.518) 3.306 3.736 ( -0.130 -2.691 0.137) 2.698 3.857 ( -2.000 -0.344 0.368) 2.063 3.928 ( 3.877 -4.583 4.102) 7.271 3.958 ( -0.691 -2.133 -2.660) 3.479 4.077 ( -2.213 -4.249 -2.984) 5.644 4.348 ( -1.656 3.940 2.066) 4.747 4.669 ( -2.162 9.447 -5.901) 11.346 4.725 ( 1.367 -0.234 0.295) 1.418 4.864 ( -0.115 -1.212 0.377) 1.274 4.922 ( 1.946 0.275 -0.964) 2.189 5.097 ( 2.281 0.147 5.465) 5.924 5.369 ( 3.833 1.427 7.541) 8.578 5.565 ( -0.567 -5.157 -0.551) 5.217 5.609 ( 3.329 -2.892 8.211) 9.320 5.896 ( -1.205 -6.088 -1.764) 6.452 6.247 ( 2.777 8.476 -3.138) 9.455 6.470 ( 8.689 7.523 -3.341) 11.969 6.778 ( 2.440 1.349 -1.511) 3.171 6.829 ( 1.752 0.432 -3.690) 4.107 7.500 ( 0.660 1.587 5.834) 6.082 7.600 ( 4.615 0.691 2.304) 5.205 8.348 ( 9.240 -1.156 -1.948) 9.514 8.470 ( 6.199 -1.843 -1.799) 6.713 8.535 ( 1.433 -0.533 -1.048) 1.853 8.756 ( -0.234 -2.429 -6.037) 6.511 9.002 ( -4.622 -3.475 4.885) 7.569 9.352 ( -2.568 -1.110 5.097) 5.814 9.412 ( -11.809 2.650 -5.399) 13.253 9.771 ( -6.591 -3.872 2.777) 8.133 9.971 ( -9.921 -0.593 -0.454) 9.949 10.001 ( -10.370 -0.693 -0.343) 10.399 11.034 ( 1.026 1.979 -0.237) 2.242 11.062 ( 0.780 2.397 -2.270) 3.392 11.208 ( -0.042 -0.849 2.730) 2.859 11.307 ( 3.065 -2.465 -2.665) 4.751 12.182 ( 8.059 2.503 1.083) 8.508 12.280 ( 14.312 3.743 -0.352) 14.798 12.853 ( -1.391 -0.081 1.682) 2.184 12.923 ( -2.599 -0.189 -1.253) 2.891 13.257 ( -1.590 2.056 4.035) 4.799 13.416 ( -3.561 -1.001 -3.084) 4.816 14.881 ( 4.977 -0.106 -0.329) 4.989 14.907 ( 1.762 -1.065 -1.310) 2.440 14.950 ( 0.462 1.040 0.202) 1.156 15.027 ( 2.466 -1.659 1.981) 3.572 15.368 ( 3.556 0.993 -0.082) 3.693 15.414 ( 5.320 0.922 -0.407) 5.415 15.635 ( 0.710 1.635 0.408) 1.828 15.757 ( 0.973 -1.491 0.077) 1.782 16.065 ( 10.350 -0.499 1.468) 10.465 16.088 ( 9.461 -2.191 -3.427) 10.298 16.762 ( -0.574 0.713 -0.105) 0.921 16.803 ( -2.941 1.427 -0.301) 3.282 16.871 ( -7.723 -1.196 3.123) 8.416 16.901 ( -16.234 -0.174 0.469) 16.242 16.950 ( -9.178 -0.184 -1.719) 9.339 17.067 ( -26.020 -5.792 -8.379) 27.943 26.419 ( -0.040 -0.369 -1.103) 1.164 26.458 ( 0.121 -0.257 -0.193) 0.343 26.475 ( -0.560 1.032 -0.625) 1.330 26.597 ( -0.481 -0.719 -1.232) 1.505 26.993 ( 0.722 3.178 2.797) 4.295 27.128 ( 1.285 5.366 -2.225) 5.950 27.571 ( 12.467 6.939 2.550) 14.494 27.723 ( 5.451 3.254 -0.936) 6.417 28.206 ( 3.050 4.268 4.158) 6.694 28.572 ( -1.927 -4.364 0.216) 4.776 28.862 ( 0.156 4.344 -2.280) 4.909 29.056 ( -1.647 -0.615 0.708) 1.895 29.093 ( -5.225 0.108 1.090) 5.338 29.244 ( 2.630 -3.252 -5.467) 6.884 29.943 ( 8.658 0.230 3.149) 9.216 30.221 ( 3.210 -11.821 4.151) 12.934 ======================= Grid point 61 (32/63) ======================= q-point: ( 0.00 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 101 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.570 ( -1.339 7.005 0.827) 7.180 0.628 ( -1.412 3.692 -0.834) 4.040 0.751 ( 0.559 10.101 1.666) 10.252 0.874 ( -0.339 2.054 -1.109) 2.359 0.924 ( -2.980 -1.021 0.460) 3.183 0.944 ( -0.408 -4.212 -5.103) 6.629 0.986 ( 4.460 1.145 1.494) 4.841 1.017 ( 2.483 3.591 -1.586) 4.645 1.055 ( 1.303 -1.716 2.132) 3.031 1.089 ( -0.859 -1.571 -0.037) 1.790 1.139 ( -0.320 -3.930 3.744) 5.437 1.147 ( 0.601 -3.024 1.496) 3.427 1.230 ( -0.487 -0.086 -0.429) 0.655 1.253 ( 0.710 -2.000 0.693) 2.233 1.302 ( 1.512 2.765 -0.429) 3.180 1.355 ( 1.211 -1.683 -0.030) 2.074 1.388 ( -1.711 7.651 3.818) 8.721 1.463 ( -1.873 -0.172 0.768) 2.032 1.584 ( 0.724 1.467 -0.749) 1.799 1.613 ( 0.676 5.579 1.700) 5.871 1.639 ( -1.211 0.451 0.920) 1.586 1.790 ( 0.109 -1.692 -1.387) 2.190 1.814 ( -0.776 -0.525 -0.001) 0.936 1.912 ( -0.348 -7.275 1.045) 7.358 2.018 ( -0.478 0.846 0.690) 1.192 2.074 ( -0.683 -3.917 -2.744) 4.831 2.223 ( -0.156 1.556 -1.564) 2.212 2.252 ( -0.084 -0.221 -1.378) 1.398 2.714 ( -0.719 3.341 2.334) 4.138 2.782 ( -1.181 -3.558 1.062) 3.896 2.940 ( 0.656 1.942 0.724) 2.174 2.989 ( -0.731 -2.832 0.445) 2.959 3.203 ( -0.045 3.017 3.458) 4.590 3.235 ( 1.104 -0.340 1.895) 2.219 3.269 ( 0.130 2.474 2.602) 3.592 3.332 ( -2.331 -4.533 4.349) 6.701 3.451 ( -0.600 -1.377 0.219) 1.518 3.458 ( -0.151 -2.409 0.742) 2.526 3.531 ( 0.081 0.936 -0.062) 0.942 3.568 ( -0.875 -2.882 2.153) 3.702 3.619 ( -0.996 2.908 1.749) 3.537 3.719 ( -0.488 -6.140 0.119) 6.161 3.845 ( 0.110 0.936 1.387) 1.677 3.864 ( -1.937 1.402 -1.537) 2.843 3.955 ( 2.633 -1.043 1.434) 3.174 3.999 ( 1.316 -3.803 -1.147) 4.184 4.486 ( -0.491 9.097 1.054) 9.171 4.635 ( -2.180 -4.453 -1.405) 5.153 4.747 ( -1.905 4.318 -3.177) 5.689 4.836 ( -0.332 -3.871 -1.751) 4.261 5.006 ( -0.267 6.554 -2.087) 6.884 5.123 ( -1.051 -2.638 -2.253) 3.625 5.441 ( 2.557 -0.450 8.269) 8.667 5.483 ( 0.134 -1.874 5.659) 5.963 5.642 ( 0.631 2.785 5.184) 5.919 5.759 ( 0.454 -7.106 -0.027) 7.121 6.432 ( 0.216 6.201 -3.720) 7.235 6.530 ( -1.167 -3.147 -6.047) 6.915 6.850 ( 0.950 1.853 -2.060) 2.929 6.890 ( 2.118 -2.169 -3.780) 4.846 7.655 ( 4.155 2.975 5.356) 7.403 7.690 ( 3.453 -0.444 4.351) 5.573 8.412 ( -7.122 0.524 0.818) 7.188 8.434 ( -1.564 -1.506 -0.049) 2.172 8.576 ( 0.994 0.447 -2.579) 2.800 8.601 ( 2.069 -1.885 -2.208) 3.565 9.152 ( 2.368 9.258 1.009) 9.609 9.264 ( -8.633 5.004 -2.150) 10.207 9.359 ( 6.643 -2.208 2.715) 7.508 9.503 ( -3.563 -9.752 0.243) 10.386 9.866 ( 0.104 -0.080 -0.227) 0.263 9.873 ( 0.179 -0.809 -0.341) 0.896 11.076 ( -0.413 1.708 -1.940) 2.618 11.095 ( -0.418 0.174 -2.897) 2.933 11.216 ( 0.012 1.687 1.950) 2.578 11.274 ( 0.811 -3.783 0.379) 3.888 12.355 ( 0.243 4.802 0.394) 4.824 12.442 ( 0.182 -3.412 -1.800) 3.862 12.835 ( -1.524 0.820 0.618) 1.838 12.855 ( -1.093 -1.262 0.434) 1.725 13.283 ( 0.128 3.047 0.366) 3.071 13.344 ( 1.072 -2.883 -0.985) 3.229 14.900 ( -0.436 0.566 -0.577) 0.919 14.922 ( 0.242 -1.580 -0.517) 1.680 15.000 ( 0.945 0.621 0.792) 1.381 15.013 ( -0.118 -0.730 0.953) 1.206 15.459 ( 0.230 2.431 -0.183) 2.449 15.503 ( -0.674 -1.859 -1.601) 2.544 15.682 ( -0.037 1.525 0.144) 1.532 15.720 ( -0.519 -2.110 -0.576) 2.248 16.223 ( -0.017 0.079 0.259) 0.271 16.226 ( 2.998 -0.325 0.331) 3.033 16.588 ( -1.313 0.273 0.529) 1.442 16.593 ( -0.599 -0.250 0.456) 0.793 16.788 ( 0.391 0.741 0.210) 0.863 16.804 ( -0.169 -0.836 -0.031) 0.853 16.865 ( 0.408 0.535 -0.769) 1.022 16.872 ( 1.626 -0.234 -0.704) 1.788 26.414 ( -0.021 0.891 0.426) 0.988 26.444 ( 0.319 -1.707 1.003) 2.006 26.506 ( -0.170 2.355 -1.174) 2.637 26.555 ( -0.531 -2.164 -1.672) 2.785 27.095 ( 0.910 4.116 3.695) 5.606 27.164 ( 0.864 -2.263 2.699) 3.627 27.706 ( -2.008 3.178 -9.273) 10.006 27.764 ( -3.177 -2.212 -10.118) 10.833 28.480 ( 1.895 6.177 7.952) 10.246 28.597 ( 8.144 -5.644 7.782) 12.599 28.948 ( 3.466 2.064 -4.583) 6.105 28.981 ( -0.958 -1.036 -3.175) 3.474 29.065 ( -0.184 1.070 -0.751) 1.320 29.118 ( -1.332 -4.501 -3.460) 5.831 30.014 ( -3.530 3.703 7.449) 9.037 30.100 ( -1.919 -4.543 5.025) 7.041 ======================= Grid point 62 (33/63) ======================= q-point: ( 0.12 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.569 ( 0.793 5.813 0.808) 5.923 0.626 ( 2.158 1.742 -0.879) 2.909 0.753 ( 1.651 8.350 2.189) 8.788 0.884 ( 2.245 -4.020 -1.078) 4.729 0.936 ( 1.919 1.345 -2.191) 3.208 0.953 ( 0.978 0.011 0.038) 0.979 1.041 ( -1.450 2.113 2.258) 3.416 1.066 ( 2.396 0.755 -1.786) 3.082 1.128 ( 7.000 -1.009 -1.848) 7.310 1.164 ( 6.405 -0.796 1.030) 6.536 1.221 ( 2.214 -0.286 -0.341) 2.258 1.249 ( 1.923 -5.009 2.090) 5.758 1.285 ( 8.341 -0.911 0.103) 8.391 1.287 ( 7.076 -2.048 1.694) 7.559 1.375 ( 4.286 2.105 0.515) 4.802 1.399 ( 3.788 -0.065 2.541) 4.562 1.478 ( 9.702 0.762 0.569) 9.749 1.485 ( 7.303 2.454 0.500) 7.720 1.580 ( -1.618 0.787 -1.117) 2.118 1.597 ( -1.141 -0.609 0.296) 1.327 1.663 ( 3.734 6.959 2.694) 8.344 1.792 ( 0.422 -3.840 -2.465) 4.583 1.863 ( 5.723 2.541 1.244) 6.384 1.949 ( 3.623 -2.563 -1.284) 4.620 2.037 ( 0.931 -1.111 0.329) 1.487 2.065 ( 1.125 -3.407 -1.292) 3.813 2.219 ( 0.444 1.196 -0.143) 1.284 2.253 ( 0.964 -0.996 -1.178) 1.819 2.693 ( -1.414 3.461 1.267) 3.947 2.745 ( -2.383 -1.732 0.129) 2.948 2.932 ( -1.504 0.829 1.478) 2.266 2.950 ( -2.446 -1.132 0.470) 2.736 3.164 ( -3.982 1.885 1.965) 4.824 3.186 ( -4.951 -0.589 2.431) 5.547 3.290 ( -2.009 0.424 2.305) 3.087 3.307 ( -0.810 -0.883 2.515) 2.786 3.403 ( -3.048 -0.296 -0.243) 3.071 3.445 ( -2.276 -4.127 0.955) 4.808 3.532 ( -0.498 -0.186 1.921) 1.993 3.544 ( 0.790 -0.802 0.800) 1.381 3.643 ( 2.228 3.076 2.335) 4.459 3.729 ( 0.041 -5.180 3.204) 6.090 3.810 ( -3.699 0.374 -0.229) 3.725 3.821 ( -2.017 -0.070 -1.040) 2.271 3.996 ( 1.799 -0.273 -0.533) 1.896 4.034 ( 1.596 -3.451 -1.070) 3.950 4.482 ( -0.242 8.726 0.908) 8.776 4.586 ( -1.536 0.810 -2.228) 2.825 4.712 ( -1.556 2.193 -1.019) 2.876 4.815 ( -0.941 -5.707 -2.852) 6.449 4.992 ( -0.826 3.945 -0.779) 4.105 5.073 ( -3.362 -2.264 -2.231) 4.627 5.470 ( -1.368 2.768 5.730) 6.509 5.499 ( 1.091 -2.100 5.684) 6.157 5.667 ( 0.658 1.785 5.170) 5.509 5.778 ( 1.044 -7.585 1.100) 7.735 6.401 ( -2.651 4.191 -2.989) 5.790 6.458 ( -4.597 -0.648 -5.287) 7.036 6.842 ( -1.244 1.838 -2.471) 3.322 6.881 ( -1.777 -2.152 -3.256) 4.289 7.684 ( -2.073 1.985 6.536) 7.139 7.704 ( -3.670 0.200 7.317) 8.188 8.245 ( -8.240 3.357 -4.329) 9.895 8.330 ( -7.760 -4.735 -4.185) 10.007 8.602 ( 0.363 1.158 -0.329) 1.258 8.622 ( 2.187 -0.446 -1.620) 2.758 9.131 ( -2.497 6.695 2.726) 7.648 9.202 ( 1.031 0.813 0.615) 1.450 9.547 ( 10.746 -2.080 1.228) 11.015 9.572 ( 9.184 -4.656 -2.292) 10.549 9.970 ( 10.283 0.507 -0.213) 10.297 9.987 ( 10.741 -1.060 -0.328) 10.799 11.045 ( -2.209 1.629 -1.602) 3.178 11.069 ( -1.763 -0.554 -2.337) 2.979 11.211 ( -0.526 2.824 1.324) 3.163 11.282 ( 0.082 -3.936 0.540) 3.973 12.251 ( -10.045 3.364 0.524) 10.606 12.299 ( -12.187 -0.947 -0.515) 12.235 12.816 ( -0.427 1.211 -0.272) 1.312 12.855 ( 0.244 -2.712 -0.098) 2.725 13.334 ( 4.702 5.153 0.582) 7.000 13.425 ( 6.397 -3.960 0.027) 7.524 14.874 ( -1.764 0.733 -0.381) 1.948 14.893 ( -2.956 -0.983 -0.468) 3.150 14.984 ( -1.961 0.763 0.531) 2.171 15.005 ( -1.570 -1.115 0.064) 1.927 15.405 ( -4.231 0.674 -0.134) 4.287 15.414 ( -5.114 -0.204 -0.352) 5.130 15.674 ( -0.863 0.666 0.241) 1.116 15.695 ( -1.854 -1.308 -0.892) 2.438 16.058 ( -9.756 1.559 0.282) 9.884 16.101 ( -9.668 -3.012 0.432) 10.136 16.756 ( 2.509 0.454 -0.384) 2.579 16.764 ( 2.738 -0.350 -0.755) 2.862 16.854 ( 7.617 2.119 0.176) 7.908 16.890 ( 12.646 -1.396 0.101) 12.723 16.998 ( 14.641 1.442 -0.286) 14.714 17.049 ( 18.836 -3.936 -1.232) 19.283 26.417 ( 0.165 1.457 0.723) 1.635 26.449 ( 0.342 -0.969 0.009) 1.027 26.507 ( 0.238 0.886 -0.533) 1.061 26.543 ( -0.186 -1.972 -1.930) 2.766 27.114 ( 0.245 3.831 3.700) 5.332 27.178 ( -0.044 -1.873 2.465) 3.097 27.578 ( -7.645 5.588 -6.626) 11.558 27.666 ( -4.444 -2.995 -5.893) 7.965 28.468 ( -3.044 8.440 7.959) 11.993 28.635 ( -3.737 -7.589 3.209) 9.048 28.969 ( -0.169 0.800 -3.092) 3.198 29.011 ( -0.518 -3.877 -1.524) 4.197 29.109 ( 4.308 2.963 -1.571) 5.460 29.206 ( 9.681 -7.086 -3.535) 12.507 29.877 ( -9.896 6.113 5.199) 12.741 29.983 ( -9.788 -4.201 4.049) 11.396 ======================= Grid point 63 (34/63) ======================= q-point: ( 0.25 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 101 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.613 ( 3.558 4.645 0.212) 5.855 0.686 ( 3.393 -2.179 -0.965) 4.147 0.853 ( 6.061 4.418 1.437) 7.637 0.919 ( 0.445 -2.204 0.186) 2.257 0.961 ( 0.203 0.610 2.349) 2.436 0.966 ( 2.505 -0.476 0.300) 2.568 1.062 ( 2.602 3.987 1.421) 4.968 1.132 ( 3.888 -1.284 -1.870) 4.502 1.217 ( 0.082 -0.289 -1.579) 1.607 1.234 ( -0.360 1.289 -0.178) 1.350 1.262 ( 3.157 -2.727 -1.273) 4.361 1.279 ( 2.760 -3.430 -0.272) 4.411 1.364 ( 1.957 2.679 1.690) 3.723 1.408 ( 7.009 -0.748 -1.626) 7.234 1.465 ( 2.083 2.506 2.257) 3.963 1.515 ( -0.794 0.042 0.514) 0.947 1.572 ( 7.195 -0.368 0.221) 7.208 1.629 ( 11.334 -4.157 2.357) 12.300 1.700 ( 5.584 0.830 -1.404) 5.817 1.737 ( 6.776 -2.813 -2.444) 7.733 1.780 ( 7.660 2.765 -1.560) 8.292 1.844 ( 8.713 -3.403 -0.410) 9.363 1.979 ( 2.325 3.253 -1.093) 4.145 2.032 ( 0.764 -2.000 -2.416) 3.228 2.058 ( 8.781 3.541 2.078) 9.693 2.108 ( 2.511 -1.188 1.779) 3.299 2.266 ( 4.720 2.196 2.447) 5.753 2.326 ( 6.284 -2.987 -0.770) 7.000 2.667 ( -1.554 2.031 -0.504) 2.606 2.690 ( -1.859 0.803 -0.018) 2.025 2.910 ( -0.250 0.473 0.512) 0.741 2.922 ( -0.201 0.502 1.039) 1.172 3.079 ( -4.497 0.924 2.149) 5.069 3.094 ( -3.583 -0.057 1.476) 3.875 3.221 ( -5.052 0.598 1.635) 5.344 3.233 ( -6.388 -0.889 1.865) 6.714 3.344 ( -2.763 0.311 -1.419) 3.122 3.390 ( -3.061 -3.014 -0.237) 4.302 3.529 ( -2.214 0.207 3.333) 4.007 3.544 ( -2.321 -0.988 2.913) 3.854 3.668 ( -1.599 1.445 1.503) 2.627 3.702 ( -1.534 -1.779 3.185) 3.957 3.765 ( 1.608 1.313 0.211) 2.086 3.815 ( 1.259 -3.402 0.048) 3.628 4.015 ( -0.235 0.252 -1.827) 1.859 4.040 ( -0.865 -1.911 -1.917) 2.842 4.466 ( -1.355 8.070 0.059) 8.183 4.573 ( -0.395 -0.760 -0.316) 0.913 4.685 ( -0.295 4.342 -0.874) 4.439 4.808 ( 0.879 -6.269 -2.434) 6.782 4.973 ( -1.073 1.006 -0.106) 1.475 5.003 ( -2.279 -1.263 -1.307) 2.915 5.449 ( -1.616 4.468 5.225) 7.062 5.518 ( -0.293 -3.418 4.978) 6.045 5.679 ( -0.396 2.440 4.304) 4.963 5.791 ( -0.074 -7.513 1.415) 7.646 6.309 ( -5.898 3.575 -3.368) 7.675 6.343 ( -5.800 0.770 -3.130) 6.635 6.806 ( -1.471 0.690 -2.849) 3.279 6.831 ( -2.241 -1.762 -3.032) 4.161 7.595 ( -6.392 3.455 6.177) 9.537 7.650 ( -2.818 -1.942 7.663) 8.393 8.068 ( -8.209 2.884 -6.105) 10.629 8.150 ( -8.258 -4.468 -5.803) 11.038 8.604 ( 0.120 3.598 0.535) 3.639 8.673 ( 2.681 -2.567 -2.821) 4.662 9.116 ( -0.267 6.665 4.205) 7.885 9.244 ( 2.535 -4.580 0.148) 5.237 9.767 ( 10.428 -0.800 0.990) 10.506 9.777 ( 10.836 -2.168 -2.336) 11.295 10.255 ( 17.544 0.934 -0.024) 17.569 10.272 ( 17.147 -0.594 -0.275) 17.160 10.994 ( -2.425 0.983 -0.915) 2.772 11.017 ( -2.887 -1.101 -1.922) 3.639 11.208 ( 0.054 3.706 0.769) 3.785 11.284 ( 0.056 -3.766 0.662) 3.824 11.995 ( -14.913 2.081 0.137) 15.058 12.020 ( -15.170 -0.222 0.265) 15.174 12.811 ( -0.059 1.357 -0.095) 1.362 12.858 ( 0.169 -3.516 0.594) 3.570 13.445 ( 5.489 7.031 0.599) 8.940 13.561 ( 6.428 -4.627 -0.446) 7.933 14.820 ( -3.744 0.919 0.106) 3.857 14.842 ( -1.622 -0.994 -0.219) 1.915 14.926 ( -3.101 1.595 -0.742) 3.565 14.971 ( -1.230 -2.684 -1.287) 3.221 15.335 ( -2.709 -0.382 -0.279) 2.750 15.335 ( -2.903 -0.399 -0.095) 2.932 15.648 ( -1.723 -0.116 -0.224) 1.741 15.654 ( -1.699 -0.670 -0.278) 1.848 15.902 ( -6.062 1.363 0.667) 6.249 15.926 ( -7.511 -1.125 0.769) 7.633 16.783 ( 1.390 0.401 0.164) 1.456 16.789 ( 1.146 -0.216 -0.041) 1.167 16.963 ( 3.746 4.121 -0.487) 5.590 17.041 ( 4.015 -3.667 -0.455) 5.456 17.385 ( 19.490 3.420 0.069) 19.788 17.470 ( 19.741 -5.145 -2.086) 20.507 26.424 ( 0.448 1.905 0.675) 2.070 26.462 ( 0.761 -1.371 0.240) 1.586 26.513 ( 0.614 0.878 -1.025) 1.482 26.545 ( 0.739 -1.747 -2.140) 2.860 27.118 ( -0.530 3.328 3.184) 4.636 27.171 ( -0.926 -1.131 1.677) 2.225 27.435 ( -5.583 7.216 -1.217) 9.204 27.569 ( -4.186 -5.500 -3.335) 7.674 28.417 ( -2.992 6.818 5.788) 9.431 28.549 ( -4.141 -5.784 0.344) 7.122 28.934 ( -3.336 1.250 -3.107) 4.727 28.966 ( -3.558 -2.105 -0.272) 4.143 29.191 ( 3.652 4.513 -1.031) 5.897 29.308 ( -0.384 -6.140 1.227) 6.273 29.720 ( -4.931 2.099 -0.217) 5.364 29.787 ( -8.459 -3.770 1.769) 9.428 ======================= Grid point 64 (35/63) ======================= q-point: ( 0.38 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.696 ( 4.267 3.559 -0.033) 5.556 0.751 ( 3.203 -1.680 -0.848) 3.715 0.885 ( -1.277 1.555 1.270) 2.380 0.913 ( -1.390 -0.552 1.599) 2.189 1.013 ( 2.728 1.579 -0.269) 3.164 1.043 ( 3.978 -0.579 0.216) 4.026 1.106 ( 1.185 1.314 -0.515) 1.843 1.175 ( -0.197 -3.593 1.379) 3.853 1.194 ( -1.344 1.475 0.403) 2.036 1.248 ( -0.066 -0.919 -1.731) 1.961 1.267 ( 2.817 1.577 -0.514) 3.269 1.366 ( 5.992 -4.900 -2.313) 8.079 1.414 ( 0.890 1.641 2.684) 3.269 1.435 ( 0.117 -1.046 4.167) 4.298 1.560 ( 4.786 5.814 0.191) 7.533 1.625 ( 8.717 1.244 -1.138) 8.878 1.677 ( 3.426 0.324 -0.064) 3.442 1.746 ( 0.995 -7.123 -1.261) 7.302 1.787 ( 0.457 2.081 -2.048) 2.955 1.837 ( 0.521 -1.169 0.828) 1.524 1.853 ( 2.186 0.387 -4.267) 4.810 1.886 ( 1.204 -2.067 0.048) 2.393 2.041 ( 1.661 0.255 0.438) 1.736 2.076 ( 1.494 -2.920 -1.612) 3.655 2.212 ( 6.727 0.866 2.837) 7.352 2.229 ( 5.062 -0.671 4.173) 6.594 2.414 ( 9.436 2.805 -1.382) 9.941 2.448 ( 6.493 -0.862 -2.782) 7.116 2.662 ( 2.917 3.027 -0.932) 4.306 2.717 ( 2.275 -1.842 1.395) 3.243 2.929 ( 1.852 2.883 0.627) 3.484 2.941 ( 1.553 1.816 0.426) 2.427 3.009 ( -2.739 1.683 2.934) 4.352 3.053 ( -1.586 1.994 -0.608) 2.620 3.094 ( -6.315 -3.154 1.341) 7.185 3.134 ( -2.619 -2.610 -0.030) 3.697 3.265 ( -5.289 1.291 0.756) 5.496 3.310 ( -4.997 -2.253 0.041) 5.482 3.470 ( -1.807 0.442 1.738) 2.546 3.493 ( -1.946 -1.435 3.137) 3.961 3.637 ( -2.346 1.787 1.945) 3.533 3.660 ( -3.263 -0.163 1.817) 3.738 3.840 ( 3.309 0.144 0.143) 3.315 3.852 ( 2.278 -0.813 0.196) 2.427 3.976 ( -1.992 0.997 -0.906) 2.405 4.001 ( -2.262 -1.184 -1.222) 2.831 4.447 ( -0.268 6.086 0.337) 6.101 4.551 ( -1.069 -3.344 -0.238) 3.518 4.703 ( 1.447 6.225 0.006) 6.391 4.826 ( 0.732 -5.015 -1.133) 5.193 4.960 ( 0.750 1.237 0.154) 1.455 5.000 ( 1.243 -1.977 -0.178) 2.342 5.421 ( -2.166 4.290 4.562) 6.626 5.502 ( -2.316 -4.079 4.351) 6.398 5.671 ( -0.858 3.093 2.827) 4.277 5.779 ( -1.255 -6.796 1.334) 7.039 6.188 ( -4.652 3.373 -2.938) 6.454 6.222 ( -5.348 0.095 -2.454) 5.885 6.777 ( -1.030 -0.598 -3.220) 3.433 6.789 ( -1.223 -1.762 -3.445) 4.058 7.496 ( -4.139 5.810 5.035) 8.731 7.614 ( -2.166 -5.628 6.180) 8.634 7.921 ( -4.797 3.868 -5.382) 8.182 8.013 ( -3.964 -4.568 -4.978) 7.833 8.608 ( 0.104 5.093 0.757) 5.150 8.713 ( 1.932 -4.352 -2.799) 5.523 9.115 ( -0.773 7.853 3.326) 8.563 9.283 ( 1.221 -6.847 -1.619) 7.141 9.943 ( 6.696 0.334 1.061) 6.788 9.965 ( 7.549 -2.188 -0.584) 7.881 10.624 ( 17.695 0.731 0.876) 17.732 10.630 ( 17.641 0.214 -0.223) 17.644 10.949 ( -2.029 0.187 -1.295) 2.414 10.962 ( -1.621 -1.112 -2.116) 2.888 11.221 ( 1.345 3.619 0.829) 3.948 11.285 ( -0.349 -2.674 1.622) 3.147 11.684 ( -15.561 1.431 -0.377) 15.631 11.710 ( -15.097 -0.910 -0.483) 15.132 12.817 ( 0.593 1.633 1.151) 2.084 12.869 ( 0.781 -3.872 2.347) 4.595 13.527 ( 2.402 7.827 -0.856) 8.232 13.655 ( 2.908 -5.011 -2.357) 6.255 14.753 ( -2.860 1.765 0.726) 3.438 14.801 ( -2.205 -3.049 0.697) 3.826 14.899 ( 0.816 2.340 -2.865) 3.788 14.953 ( -0.294 -2.909 -2.011) 3.549 15.286 ( -1.961 -0.419 -0.326) 2.031 15.292 ( -1.628 -1.024 -0.521) 1.992 15.621 ( -0.686 0.162 0.244) 0.746 15.629 ( -0.744 -0.616 0.360) 1.031 15.812 ( -3.476 0.856 0.953) 3.705 15.814 ( -3.710 0.673 0.860) 3.867 16.811 ( 1.137 0.432 0.703) 1.405 16.818 ( 1.573 -0.251 1.602) 2.259 17.011 ( 1.420 3.629 -1.159) 4.066 17.078 ( 0.196 -2.993 -0.938) 3.142 17.696 ( 11.017 3.501 0.213) 11.562 17.776 ( 10.864 -4.256 -1.779) 11.803 26.436 ( 0.531 1.623 0.683) 1.839 26.470 ( -0.209 -1.695 1.068) 2.014 26.533 ( 1.630 1.467 -2.215) 3.117 26.563 ( 1.363 -1.446 -2.264) 3.012 27.107 ( -1.105 2.940 2.790) 4.201 27.154 ( -1.031 -0.862 1.396) 1.938 27.352 ( -2.787 7.082 1.100) 7.690 27.496 ( -2.476 -6.356 -1.820) 7.060 28.376 ( -2.114 5.830 4.132) 7.452 28.494 ( -1.368 -5.578 0.255) 5.749 28.828 ( -5.662 2.431 -2.162) 6.529 28.870 ( -5.249 -1.728 -1.350) 5.688 29.240 ( 0.207 2.439 1.104) 2.685 29.266 ( -0.846 0.306 0.780) 1.191 29.626 ( -4.341 2.098 2.001) 5.220 29.728 ( 1.123 -7.891 -3.719) 8.796 ======================= Grid point 65 (36/63) ======================= q-point: (-0.50 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 101 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.768 ( 2.545 2.969 0.984) 4.032 0.805 ( 2.157 -0.609 -0.419) 2.280 0.860 ( -1.100 1.089 0.963) 1.823 0.879 ( -1.830 -0.201 0.658) 1.955 1.045 ( 0.569 2.225 -0.704) 2.402 1.082 ( 0.131 2.344 0.399) 2.381 1.116 ( -0.076 -1.113 -1.557) 1.915 1.161 ( -0.555 -2.845 0.086) 2.900 1.170 ( -1.206 -0.251 0.325) 1.274 1.227 ( 0.191 -4.494 -0.641) 4.544 1.345 ( 0.696 2.991 1.540) 3.436 1.386 ( -2.608 0.087 3.438) 4.316 1.475 ( 2.606 -1.154 -0.120) 2.853 1.481 ( 1.892 -2.838 0.759) 3.494 1.624 ( -1.152 3.303 -0.476) 3.530 1.639 ( -1.519 2.162 0.603) 2.710 1.721 ( 0.990 3.292 0.456) 3.467 1.770 ( 2.825 -0.138 -1.458) 3.182 1.783 ( -2.074 -2.265 -2.571) 4.005 1.822 ( 0.630 -3.615 -0.747) 3.745 1.871 ( 0.011 3.209 -0.719) 3.289 1.950 ( 2.215 -3.643 0.607) 4.307 2.032 ( -0.681 -2.023 0.247) 2.149 2.046 ( -0.998 -1.542 -0.580) 1.926 2.268 ( -2.492 0.974 1.515) 3.075 2.288 ( -1.445 -1.132 1.460) 2.346 2.537 ( -0.228 1.138 -2.166) 2.457 2.548 ( 1.464 0.050 -2.184) 2.630 2.709 ( -1.234 1.808 1.119) 2.458 2.742 ( 2.543 -1.415 1.115) 3.117 2.945 ( -1.149 4.450 1.187) 4.747 2.973 ( -0.135 1.749 1.905) 2.590 2.987 ( 1.989 1.919 0.580) 2.824 3.031 ( -0.239 0.372 -2.231) 2.274 3.045 ( 2.681 -1.693 -1.340) 3.442 3.124 ( 0.290 -6.298 -1.672) 6.523 3.195 ( -0.891 1.161 3.106) 3.433 3.221 ( -2.339 -1.267 2.549) 3.684 3.459 ( 0.014 1.735 1.989) 2.639 3.490 ( 0.530 -1.165 2.394) 2.715 3.604 ( -0.044 1.780 2.268) 2.884 3.630 ( 0.784 -0.236 1.333) 1.564 3.830 ( -1.820 1.144 -2.097) 3.003 3.845 ( -3.674 0.014 -2.794) 4.615 3.995 ( 1.967 0.328 1.820) 2.700 4.005 ( 3.118 -0.433 1.950) 3.703 4.453 ( 0.486 4.895 1.050) 5.030 4.547 ( 0.845 -3.721 -0.598) 3.862 4.728 ( 1.066 5.843 1.123) 6.045 4.834 ( 0.550 -2.853 -0.194) 2.912 4.991 ( 1.277 1.015 0.610) 1.742 5.031 ( 1.618 -1.561 0.274) 2.265 5.379 ( -2.783 3.369 3.585) 5.652 5.452 ( -2.900 -3.780 3.337) 5.816 5.656 ( -1.158 3.386 1.783) 3.998 5.758 ( -0.674 -5.964 0.919) 6.072 6.141 ( 0.402 1.574 -2.383) 2.884 6.156 ( 0.133 0.229 -2.281) 2.297 6.750 ( -0.764 -0.506 -3.762) 3.872 6.769 ( -0.262 -2.236 -3.932) 4.531 7.454 ( -1.070 6.372 4.222) 7.718 7.586 ( -1.700 -6.565 4.933) 8.386 7.874 ( 1.117 4.847 -4.569) 6.754 7.982 ( 1.677 -5.278 -3.697) 6.659 8.612 ( 0.104 5.830 0.996) 5.915 8.738 ( 0.911 -5.422 -2.587) 6.076 9.096 ( -1.482 8.495 2.448) 8.964 9.284 ( -0.649 -7.989 -2.712) 8.462 10.023 ( 0.737 1.331 1.523) 2.153 10.057 ( 1.459 -2.328 0.443) 2.783 10.798 ( -3.582 2.159 1.309) 4.383 10.844 ( -2.902 -2.465 1.102) 3.964 10.978 ( 8.580 1.342 -3.350) 9.308 11.001 ( 6.699 -0.787 -3.138) 7.440 11.208 ( -8.096 2.517 2.849) 8.944 11.252 ( -3.589 -1.573 2.749) 4.787 11.468 ( 0.594 3.294 -0.889) 3.463 11.539 ( 2.382 -3.405 -1.870) 4.557 12.839 ( 1.186 1.882 2.661) 3.468 12.895 ( 1.095 -3.936 3.449) 5.347 13.532 ( -1.524 7.884 -2.279) 8.347 13.662 ( -1.560 -5.159 -4.160) 6.808 14.717 ( -0.677 2.192 0.676) 2.392 14.775 ( -0.366 -3.563 0.445) 3.610 14.924 ( 1.689 0.990 -2.947) 3.538 14.949 ( 0.204 -1.449 -2.050) 2.519 15.258 ( -0.653 -0.348 -0.489) 0.887 15.270 ( -0.394 -1.514 -0.564) 1.664 15.621 ( 0.383 0.585 0.896) 1.136 15.631 ( 0.804 -0.484 0.728) 1.188 15.769 ( -0.558 1.262 0.875) 1.634 15.778 ( -0.310 0.449 0.686) 0.876 16.829 ( 0.448 1.266 1.762) 2.215 16.852 ( 1.363 -0.956 2.648) 3.128 17.020 ( -0.283 2.338 -1.866) 3.004 17.063 ( -0.999 -1.881 -1.686) 2.717 17.807 ( -0.148 3.543 0.213) 3.553 17.884 ( 0.192 -4.007 -1.529) 4.293 26.444 ( 0.064 0.629 0.445) 0.773 26.459 ( -1.003 -0.863 1.071) 1.702 26.558 ( 1.078 1.341 -2.384) 2.940 26.583 ( 0.916 -1.072 -1.996) 2.444 27.086 ( -1.429 3.014 2.408) 4.114 27.137 ( -0.949 -1.456 1.537) 2.320 27.333 ( 0.732 7.450 1.546) 7.643 27.475 ( 0.875 -6.032 -1.253) 6.222 28.342 ( -2.139 5.763 3.062) 6.868 28.473 ( -1.739 -7.105 1.023) 7.386 28.768 ( 1.210 2.996 -1.224) 3.456 28.810 ( 0.999 -0.923 -2.773) 3.088 29.212 ( -1.775 3.527 1.233) 4.136 29.281 ( 0.166 -2.806 0.048) 2.811 29.581 ( -0.349 6.758 1.140) 6.863 29.760 ( 2.447 -10.447 -2.642) 11.050 ======================= Grid point 66 (37/63) ======================= q-point: (-0.38 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.781 ( -1.660 3.314 2.342) 4.385 0.826 ( -2.354 -0.833 1.146) 2.748 0.838 ( 0.668 2.325 0.206) 2.427 0.874 ( 1.172 -1.028 -0.557) 1.656 1.030 ( -3.237 1.197 0.455) 3.481 1.060 ( -1.240 0.654 0.631) 1.538 1.087 ( -2.395 2.883 -1.018) 3.883 1.149 ( -0.979 -2.872 0.951) 3.180 1.170 ( 1.420 -0.250 -1.919) 2.400 1.224 ( -2.850 -4.101 -0.706) 5.043 1.319 ( -1.875 0.411 0.126) 1.924 1.324 ( -2.015 0.075 1.187) 2.340 1.434 ( -3.139 1.008 0.732) 3.377 1.462 ( -3.115 -1.718 1.788) 3.982 1.586 ( -3.066 4.351 1.754) 5.604 1.660 ( -4.623 -0.689 -0.137) 4.676 1.680 ( -5.817 -0.806 -1.692) 6.111 1.727 ( -2.227 -0.121 0.003) 2.230 1.744 ( -2.328 -2.363 -2.776) 4.326 1.786 ( -2.821 -2.358 -0.312) 3.690 1.901 ( 2.201 2.188 -1.252) 3.347 1.944 ( -1.351 -1.835 -2.533) 3.407 2.036 ( 1.293 2.557 0.338) 2.886 2.089 ( -5.702 -1.485 -0.979) 5.973 2.150 ( -4.415 -0.037 2.964) 5.318 2.201 ( -1.643 -5.219 2.895) 6.191 2.402 ( -13.078 5.746 -1.425) 14.356 2.461 ( -5.879 0.154 -1.894) 6.179 2.666 ( -4.263 2.226 -0.243) 4.815 2.719 ( -3.351 -2.785 1.449) 4.592 2.930 ( -1.649 3.291 -0.383) 3.701 2.969 ( -2.069 1.189 1.299) 2.717 2.981 ( 1.863 3.722 1.299) 4.360 3.080 ( 2.441 -4.321 0.971) 5.057 3.140 ( 7.864 0.235 -0.565) 7.888 3.185 ( 5.602 -3.546 0.725) 6.669 3.250 ( 4.900 1.620 3.241) 6.095 3.289 ( 7.090 -2.638 1.470) 7.707 3.474 ( 0.785 2.251 1.566) 2.852 3.521 ( 2.002 -1.478 1.778) 3.058 3.622 ( 0.666 1.690 2.255) 2.896 3.673 ( 2.723 -2.317 1.426) 3.849 3.768 ( -2.600 1.736 -1.408) 3.428 3.809 ( -0.257 -2.067 -0.864) 2.255 4.038 ( 0.640 -0.118 0.224) 0.689 4.040 ( 0.622 -0.170 -0.065) 0.648 4.466 ( 0.681 6.004 0.584) 6.071 4.578 ( 2.029 -4.596 0.048) 5.024 4.757 ( 1.550 5.207 2.076) 5.816 4.851 ( 0.995 -2.761 -0.702) 3.018 4.998 ( -0.131 3.880 0.416) 3.904 5.060 ( 1.235 -1.194 1.397) 2.214 5.335 ( -1.822 2.694 3.362) 4.677 5.413 ( -1.512 -4.781 3.349) 6.030 5.635 ( -1.021 4.510 1.312) 4.807 5.759 ( 0.343 -6.975 0.408) 6.996 6.200 ( 6.215 1.920 -2.344) 6.914 6.214 ( 5.140 1.111 -2.734) 5.927 6.739 ( 0.467 0.026 -3.875) 3.903 6.766 ( 0.833 -2.415 -3.813) 4.589 7.462 ( 0.937 5.025 3.675) 6.295 7.562 ( -1.635 -4.485 3.945) 6.193 7.952 ( 7.478 4.377 -3.900) 9.502 8.063 ( 6.890 -5.771 -2.992) 9.472 8.611 ( -0.455 5.636 0.733) 5.702 8.736 ( -0.654 -5.617 -2.842) 6.329 9.074 ( -1.008 7.965 2.862) 8.523 9.257 ( -1.307 -8.276 -2.026) 8.620 9.972 ( -6.123 2.581 1.249) 6.761 10.022 ( -4.971 -2.541 0.928) 5.660 10.586 ( -15.858 1.843 -0.237) 15.967 10.623 ( -16.890 -1.774 -0.078) 16.983 11.058 ( -0.233 2.693 1.541) 3.111 11.103 ( 0.796 2.476 -0.635) 2.678 11.110 ( 1.790 -2.047 -2.362) 3.602 11.161 ( -1.078 -2.976 0.734) 3.249 11.691 ( 15.714 2.411 -0.120) 15.898 11.732 ( 13.869 -1.552 -0.074) 13.955 12.868 ( 0.989 1.811 3.267) 3.865 12.919 ( 0.566 -3.450 2.873) 4.525 13.470 ( -3.845 6.988 -1.853) 8.189 13.587 ( -4.733 -4.722 -4.418) 8.014 14.732 ( 2.127 2.287 0.088) 3.125 14.790 ( 1.732 -3.507 0.337) 3.926 14.939 ( 0.414 0.769 -2.144) 2.315 14.959 ( 1.009 -0.989 -1.709) 2.217 15.262 ( 1.211 -0.265 -0.731) 1.439 15.277 ( 1.147 -1.607 -0.610) 2.067 15.635 ( 0.845 1.054 0.491) 1.437 15.657 ( 1.490 -1.134 0.650) 1.982 15.796 ( 3.151 1.248 0.760) 3.473 15.807 ( 3.053 0.308 0.765) 3.162 16.832 ( -0.536 2.229 2.033) 3.064 16.875 ( 0.209 -1.933 3.217) 3.759 16.991 ( -2.054 2.649 -2.050) 3.929 17.041 ( -1.058 -2.272 -2.533) 3.563 17.691 ( -11.332 3.692 0.065) 11.918 17.775 ( -10.801 -4.576 -1.752) 11.861 26.436 ( -0.941 -0.009 0.249) 0.974 26.441 ( -0.624 -0.538 0.588) 1.012 26.560 ( -0.422 1.593 -1.838) 2.468 26.589 ( 0.050 -1.255 -1.457) 1.924 27.064 ( -0.977 3.426 1.914) 4.044 27.124 ( -0.464 -2.084 1.353) 2.527 27.390 ( 4.798 8.419 1.511) 9.807 27.527 ( 4.446 -4.872 -1.261) 6.715 28.302 ( -2.106 5.372 1.667) 6.006 28.432 ( -1.713 -7.427 -0.085) 7.622 28.850 ( 5.925 3.972 -0.734) 7.171 28.913 ( 8.184 -1.968 -1.070) 8.486 29.176 ( -1.869 3.500 -0.239) 3.975 29.255 ( -2.646 -4.203 0.379) 4.981 29.626 ( 4.882 8.150 0.762) 9.531 29.818 ( 3.884 -10.832 -0.552) 11.520 ======================= Grid point 67 (38/63) ======================= q-point: (-0.25 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 101 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.726 ( -4.261 2.669 3.574) 6.169 0.745 ( -5.270 1.581 0.742) 5.551 0.854 ( 0.627 3.856 -0.690) 3.967 0.898 ( 0.693 -0.257 -0.228) 0.773 0.923 ( -5.902 3.812 1.318) 7.148 1.020 ( -3.644 -2.303 -0.259) 4.319 1.051 ( -2.074 0.527 -0.659) 2.239 1.104 ( -2.179 -4.996 -1.099) 5.560 1.155 ( -1.561 1.006 1.998) 2.728 1.193 ( 0.026 -1.873 0.779) 2.028 1.263 ( -1.830 3.390 -1.151) 4.021 1.339 ( -1.793 -3.195 -0.164) 3.667 1.378 ( -3.201 1.152 -0.221) 3.409 1.416 ( -1.560 -2.623 -1.041) 3.225 1.438 ( -12.642 2.724 -1.374) 13.004 1.509 ( -5.842 0.661 1.231) 6.006 1.525 ( -7.522 -2.190 -1.198) 7.926 1.584 ( -9.792 -4.683 0.126) 10.855 1.696 ( -0.490 4.154 -0.214) 4.188 1.761 ( -5.823 -1.262 -0.555) 5.984 1.838 ( -9.919 3.005 -0.560) 10.380 1.863 ( -5.609 -0.574 -0.265) 5.645 1.953 ( -4.302 2.319 -0.671) 4.934 2.004 ( -1.360 -2.164 -1.970) 3.227 2.123 ( -6.455 1.524 1.074) 6.719 2.134 ( -3.022 3.068 2.387) 4.924 2.227 ( -1.563 0.816 2.005) 2.670 2.347 ( -4.831 -6.826 0.147) 8.364 2.630 ( 2.477 3.222 -1.207) 4.239 2.698 ( 1.770 -2.766 -0.003) 3.284 2.916 ( -0.095 2.192 0.089) 2.196 2.927 ( -0.910 1.373 1.338) 2.122 3.058 ( 4.743 4.167 1.049) 6.400 3.135 ( 2.932 -3.900 0.033) 4.879 3.265 ( 3.488 0.915 4.115) 5.472 3.303 ( 5.114 -2.457 4.723) 7.382 3.351 ( 4.038 1.260 -0.113) 4.232 3.416 ( 3.930 -4.786 1.022) 6.277 3.495 ( 0.952 1.182 2.843) 3.223 3.543 ( -0.054 -3.040 0.668) 3.113 3.661 ( 2.691 3.489 1.696) 4.721 3.732 ( -0.784 0.104 0.549) 0.962 3.749 ( 4.053 -1.699 1.867) 4.775 3.810 ( 0.986 -3.484 -0.458) 3.650 4.001 ( -2.998 0.727 -1.852) 3.598 4.039 ( -1.509 -2.913 -1.567) 3.635 4.482 ( 0.712 7.525 0.218) 7.562 4.621 ( 2.086 -5.836 0.294) 6.205 4.788 ( 1.050 4.016 1.575) 4.440 4.854 ( -0.558 -2.298 -1.649) 2.883 5.005 ( 0.851 7.141 -2.128) 7.500 5.092 ( 1.650 -0.376 2.007) 2.625 5.331 ( 0.698 1.520 4.305) 4.619 5.408 ( 0.336 -5.964 5.922) 8.411 5.625 ( -0.362 5.203 1.728) 5.494 5.764 ( 0.058 -7.901 -0.010) 7.901 6.319 ( 5.419 4.286 -3.497) 7.743 6.357 ( 9.061 0.810 -2.876) 9.540 6.757 ( 2.042 0.920 -3.573) 4.217 6.789 ( 2.020 -1.897 -3.613) 4.553 7.499 ( 2.001 2.596 3.378) 4.707 7.546 ( -0.015 -1.633 3.763) 4.102 8.141 ( 11.424 3.238 -3.166) 12.289 8.232 ( 10.077 -4.983 -2.705) 11.563 8.592 ( -1.528 4.483 -0.026) 4.736 8.702 ( -2.137 -6.002 -2.781) 6.952 9.072 ( 0.158 7.478 3.405) 8.218 9.237 ( -0.288 -7.794 0.220) 7.803 9.791 ( -11.827 4.456 0.150) 12.639 9.873 ( -9.707 -3.632 1.103) 10.423 10.245 ( -16.750 0.958 -0.271) 16.780 10.268 ( -17.157 -1.168 -0.333) 17.200 11.060 ( 0.576 2.618 0.762) 2.786 11.096 ( 0.131 0.573 -3.100) 3.156 11.156 ( 2.131 -0.512 2.797) 3.554 11.195 ( 2.692 -2.886 -1.868) 4.366 12.000 ( 14.441 1.904 0.362) 14.570 12.022 ( 14.677 -0.083 0.224) 14.679 12.881 ( -0.308 1.493 2.219) 2.692 12.923 ( -0.651 -2.551 1.147) 2.871 13.388 ( -4.006 5.159 0.072) 6.533 13.476 ( -5.338 -3.548 -2.858) 7.018 14.797 ( 4.139 1.681 -0.527) 4.498 14.838 ( 2.785 -2.405 -0.007) 3.680 14.950 ( 1.153 1.128 -0.840) 1.818 14.975 ( 0.902 -1.154 -0.995) 1.771 15.305 ( 3.286 0.049 -0.722) 3.365 15.317 ( 3.242 -1.163 -0.436) 3.471 15.655 ( 1.047 1.660 -0.044) 1.963 15.691 ( 1.739 -1.903 0.253) 2.590 15.893 ( 6.379 0.673 0.537) 6.437 15.903 ( 6.453 -0.251 0.393) 6.469 16.815 ( -1.488 2.494 1.422) 3.233 16.865 ( -1.823 -2.257 2.030) 3.541 16.938 ( -2.915 2.883 -1.092) 4.242 16.997 ( -3.121 -2.877 -2.434) 4.893 17.371 ( -20.141 3.285 -0.159) 20.408 17.453 ( -20.812 -5.045 -2.422) 21.551 26.421 ( -0.500 0.121 0.255) 0.574 26.431 ( -0.427 -0.949 0.360) 1.101 26.542 ( -0.983 2.118 -1.388) 2.717 26.582 ( -0.490 -1.771 -1.114) 2.149 27.057 ( -0.035 3.925 1.984) 4.398 27.125 ( 0.294 -2.396 1.404) 2.793 27.528 ( 8.710 8.342 -0.541) 12.073 27.633 ( 6.135 -2.463 -2.331) 7.010 28.278 ( -0.178 5.901 1.688) 6.140 28.423 ( 0.882 -8.118 0.147) 8.167 28.948 ( 2.923 5.363 -0.807) 6.160 29.042 ( 2.646 -3.658 1.250) 4.684 29.150 ( 0.030 1.721 -3.003) 3.461 29.190 ( -3.186 -2.022 -1.158) 3.947 29.778 ( 9.621 5.100 2.100) 11.090 29.918 ( 5.900 -9.081 2.669) 11.153 ======================= Grid point 68 (39/63) ======================= q-point: (-0.12 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.626 ( -4.713 6.039 1.941) 7.903 0.669 ( -2.727 1.729 0.341) 3.247 0.774 ( -5.395 9.536 1.711) 11.089 0.882 ( 0.607 -0.560 -2.000) 2.164 0.922 ( 0.734 0.096 -2.487) 2.595 0.953 ( -1.201 -3.162 0.468) 3.414 1.015 ( -0.596 1.770 -0.010) 1.868 1.082 ( -3.019 -3.080 0.563) 4.349 1.122 ( -7.948 2.118 -0.527) 8.242 1.160 ( -3.036 -0.554 1.046) 3.259 1.172 ( -4.332 -0.732 2.299) 4.959 1.200 ( -7.775 -6.025 1.365) 9.930 1.247 ( -4.826 2.296 -1.221) 5.482 1.289 ( -2.334 0.425 -1.296) 2.703 1.337 ( -5.838 -2.083 0.418) 6.212 1.388 ( -2.700 -3.266 -0.309) 4.249 1.480 ( -3.925 2.822 0.348) 4.847 1.494 ( -2.203 -0.573 -1.348) 2.645 1.583 ( -4.002 7.186 1.467) 8.355 1.645 ( -5.339 1.679 -0.247) 5.603 1.674 ( -2.739 5.961 2.681) 7.087 1.818 ( -2.082 -1.859 -0.768) 2.895 1.848 ( -3.197 0.946 0.743) 3.416 1.955 ( -3.380 -6.309 -0.228) 7.161 2.057 ( -3.097 -0.196 0.515) 3.146 2.084 ( -0.232 -3.059 -2.001) 3.663 2.223 ( 0.274 2.306 1.024) 2.538 2.274 ( -2.471 -2.667 -0.661) 3.695 2.697 ( 2.464 2.594 0.900) 3.690 2.761 ( 3.172 -3.224 0.070) 4.523 2.915 ( 1.038 2.427 0.446) 2.678 2.962 ( 2.579 -1.840 1.256) 3.408 3.154 ( 4.144 3.504 1.761) 5.705 3.190 ( 2.400 -0.879 -0.757) 2.665 3.288 ( -1.373 2.738 4.082) 5.103 3.367 ( -0.936 -5.760 5.153) 7.785 3.421 ( 3.478 -0.999 2.499) 4.398 3.445 ( 0.422 -2.713 1.512) 3.134 3.518 ( 0.687 -0.045 1.624) 1.764 3.554 ( 1.017 -3.371 1.069) 3.679 3.668 ( -2.399 2.900 0.924) 3.875 3.730 ( 0.168 -0.631 -0.863) 1.083 3.820 ( 2.041 -1.695 2.125) 3.399 3.869 ( 4.135 -3.466 0.192) 5.399 3.930 ( -3.239 2.243 -1.238) 4.129 3.999 ( -1.130 -3.877 -1.702) 4.383 4.491 ( 0.023 8.674 0.711) 8.703 4.651 ( 0.613 -6.774 0.248) 6.806 4.793 ( -1.150 3.525 -2.497) 4.470 4.838 ( -0.167 -1.368 -1.264) 1.870 5.011 ( 0.234 7.565 -3.375) 8.287 5.124 ( 1.068 -1.323 -0.401) 1.747 5.373 ( 2.394 0.498 6.831) 7.255 5.447 ( 1.834 -5.705 7.700) 9.757 5.627 ( 0.103 4.962 3.455) 6.047 5.760 ( -0.340 -7.387 -0.380) 7.405 6.403 ( 3.405 6.858 -3.927) 8.605 6.504 ( 5.219 -2.795 -4.613) 7.505 6.810 ( 3.571 1.469 -2.479) 4.589 6.830 ( 2.958 -0.459 -3.925) 4.936 7.553 ( 3.447 3.092 4.583) 6.515 7.599 ( 4.186 -1.162 3.306) 5.460 8.355 ( 9.037 2.093 -1.265) 9.362 8.417 ( 7.238 -3.484 -1.473) 8.166 8.559 ( -0.929 2.680 -1.230) 3.092 8.639 ( -3.813 -5.588 -2.061) 7.072 9.096 ( 1.931 8.199 2.126) 8.688 9.255 ( 2.217 -7.135 2.215) 7.793 9.523 ( -14.106 7.032 -1.202) 15.808 9.664 ( -10.715 -6.649 1.187) 12.666 9.968 ( -10.111 0.336 -0.300) 10.121 9.983 ( -10.581 -1.028 -0.411) 10.639 11.074 ( 0.683 2.110 -1.041) 2.450 11.098 ( 0.474 0.460 -3.060) 3.131 11.198 ( 1.408 0.597 2.529) 2.956 11.243 ( 2.218 -3.382 -0.472) 4.072 12.246 ( 9.719 3.438 0.415) 10.317 12.299 ( 12.277 -1.421 -0.423) 12.367 12.864 ( -1.499 1.181 0.880) 2.102 12.897 ( -2.085 -1.898 0.266) 2.832 13.317 ( -3.099 3.473 0.807) 4.724 13.379 ( -3.639 -2.640 -1.321) 4.686 14.880 ( 3.488 0.087 -0.482) 3.523 14.888 ( 2.242 -0.752 -0.890) 2.526 14.973 ( 1.024 1.254 0.238) 1.637 14.998 ( 1.437 -1.275 0.571) 2.004 15.392 ( 5.153 1.360 -0.291) 5.338 15.415 ( 6.633 -0.705 -0.445) 6.686 15.674 ( 0.798 2.162 -0.072) 2.306 15.718 ( 0.838 -2.232 -0.130) 2.388 16.056 ( 9.843 -0.309 0.642) 9.869 16.058 ( 9.080 -0.698 -0.735) 9.137 16.784 ( -2.105 1.514 0.301) 2.610 16.815 ( -3.104 -1.122 0.252) 3.310 16.858 ( -7.828 1.015 0.669) 7.922 16.888 ( -11.592 -1.343 -0.030) 11.670 16.957 ( -14.402 1.020 -1.355) 14.502 16.990 ( -20.036 -2.386 -2.447) 20.325 26.416 ( -0.158 0.265 -0.001) 0.308 26.432 ( 0.414 -1.308 1.213) 1.832 26.520 ( -0.865 2.606 -1.437) 3.099 26.569 ( -0.570 -2.097 -1.287) 2.525 27.070 ( 0.817 4.176 2.866) 5.130 27.141 ( 0.893 -2.405 2.076) 3.300 27.688 ( 5.707 4.582 -7.257) 10.307 27.750 ( 5.857 -1.250 -5.779) 8.323 28.332 ( 6.224 7.458 5.547) 11.186 28.469 ( 3.356 -6.033 3.537) 7.757 28.954 ( -1.333 4.560 -2.106) 5.196 29.028 ( -2.599 -2.532 0.615) 3.681 29.106 ( -3.152 1.546 -1.656) 3.881 29.163 ( -1.026 -4.120 -4.789) 6.400 29.966 ( 6.832 2.394 4.797) 8.685 30.045 ( 5.270 -5.933 5.413) 9.606 ======================= Grid point 85 (40/63) ======================= q-point: ( 0.00 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.394 ( -8.166 0.000 12.354) 14.809 0.574 ( -0.219 0.000 5.936) 5.940 0.647 ( 3.716 0.000 0.652) 3.773 0.716 ( -1.433 0.000 0.917) 1.702 0.780 ( -0.473 0.000 -0.663) 0.814 0.828 ( -0.247 0.000 -9.100) 9.104 0.983 ( 3.513 0.000 0.371) 3.533 0.996 ( -1.358 0.000 -0.968) 1.668 1.106 ( -6.490 0.000 1.607) 6.686 1.131 ( 5.150 0.000 0.223) 5.154 1.213 ( 0.434 0.000 14.157) 14.164 1.243 ( 2.337 0.000 -0.070) 2.338 1.247 ( 2.489 0.000 -0.775) 2.607 1.275 ( 1.269 0.000 1.306) 1.821 1.316 ( -2.302 0.000 -2.403) 3.327 1.404 ( 0.586 0.000 -1.939) 2.026 1.429 ( -1.136 0.000 1.083) 1.569 1.480 ( 3.663 0.000 -4.376) 5.707 1.483 ( -2.696 0.000 4.924) 5.614 1.594 ( -0.732 0.000 -4.367) 4.428 1.651 ( 4.836 0.000 3.521) 5.982 1.779 ( -3.117 0.000 -6.677) 7.369 1.834 ( 2.491 0.000 -0.772) 2.608 1.857 ( -4.406 0.000 -5.140) 6.770 1.987 ( -0.984 0.000 4.699) 4.801 2.066 ( 0.159 0.000 -2.682) 2.687 2.309 ( -0.208 0.000 3.533) 3.539 2.363 ( 0.055 0.000 -1.316) 1.317 2.758 ( -1.455 0.000 5.866) 6.044 2.845 ( 1.326 0.000 -2.320) 2.673 2.991 ( 2.495 0.000 1.396) 2.859 3.032 ( -3.503 0.000 -2.456) 4.278 3.205 ( 1.229 0.000 8.422) 8.512 3.248 ( 5.831 0.000 0.623) 5.864 3.258 ( -2.908 0.000 1.435) 3.243 3.357 ( -5.403 0.000 -5.017) 7.373 3.526 ( -0.897 0.000 0.810) 1.209 3.585 ( -0.471 0.000 -2.229) 2.278 3.627 ( 1.183 0.000 1.825) 2.175 3.673 ( -5.069 0.000 -0.663) 5.112 3.757 ( -2.117 0.000 2.673) 3.410 3.776 ( 1.594 0.000 1.755) 2.371 3.834 ( 3.651 0.000 2.414) 4.377 3.941 ( 0.609 0.000 -6.628) 6.656 3.970 ( -1.778 0.000 1.787) 2.521 4.051 ( 2.143 0.000 -5.416) 5.825 4.325 ( -2.036 0.000 2.252) 3.036 4.373 ( -0.519 0.000 -2.305) 2.363 4.804 ( 1.730 0.000 3.579) 3.975 4.876 ( -2.134 0.000 -3.065) 3.735 4.960 ( 3.424 0.000 4.289) 5.488 5.069 ( -3.681 0.000 -6.112) 7.135 5.552 ( -7.803 0.000 4.306) 8.912 5.628 ( 4.014 0.000 -2.979) 4.999 5.762 ( 2.951 0.000 8.190) 8.705 5.949 ( -1.090 0.000 -9.255) 9.319 6.322 ( 3.580 0.000 5.744) 6.768 6.382 ( -0.830 0.000 -0.030) 0.830 6.778 ( -0.816 0.000 -1.889) 2.058 6.794 ( 3.335 0.000 -3.899) 5.131 7.695 ( 3.004 0.000 3.905) 4.927 7.707 ( 0.542 0.000 1.782) 1.862 8.441 ( 1.122 0.000 2.031) 2.321 8.510 ( -3.367 0.000 -3.405) 4.789 8.589 ( -12.837 0.000 0.049) 12.837 8.603 ( 7.536 0.000 -1.468) 7.678 8.883 ( 5.509 0.000 1.375) 5.678 8.932 ( -9.270 0.000 -3.495) 9.907 9.612 ( 5.409 0.000 6.472) 8.435 9.737 ( -4.391 0.000 -5.303) 6.885 9.884 ( 1.126 0.000 0.386) 1.190 9.894 ( -0.774 0.000 -0.551) 0.950 11.014 ( 1.240 0.000 0.314) 1.279 11.022 ( -0.996 0.000 -0.520) 1.124 11.254 ( -2.244 0.000 2.636) 3.462 11.315 ( 2.419 0.000 -3.087) 3.922 12.283 ( -0.912 0.000 2.251) 2.429 12.330 ( 0.509 0.000 -2.134) 2.194 12.837 ( -2.896 0.000 1.156) 3.118 12.864 ( 3.063 0.000 -1.353) 3.348 13.299 ( -4.359 0.000 2.837) 5.201 13.359 ( 4.209 0.000 -2.754) 5.030 14.932 ( -1.830 0.000 1.080) 2.125 14.948 ( 2.128 0.000 -0.488) 2.184 15.014 ( 4.509 0.000 1.349) 4.707 15.051 ( -5.786 0.000 -2.093) 6.153 15.415 ( 0.054 0.000 1.196) 1.197 15.453 ( -0.589 0.000 -2.489) 2.558 15.717 ( 1.865 0.000 2.221) 2.900 15.755 ( -1.623 0.000 -1.403) 2.145 16.233 ( -5.301 0.000 0.608) 5.335 16.246 ( 10.053 0.000 -0.643) 10.073 16.596 ( -2.695 0.000 0.644) 2.771 16.604 ( 1.470 0.000 -0.045) 1.471 16.786 ( 0.908 0.000 0.971) 1.329 16.809 ( -0.173 0.000 -1.115) 1.128 16.843 ( -5.158 0.000 0.667) 5.201 16.859 ( 5.900 0.000 -0.895) 5.967 26.373 ( -0.741 0.000 -0.493) 0.890 26.394 ( 0.998 0.000 -2.539) 2.729 26.524 ( 0.909 0.000 1.091) 1.420 26.553 ( -0.739 0.000 -1.733) 1.884 27.048 ( -0.673 0.000 1.976) 2.088 27.053 ( 1.462 0.000 1.613) 2.177 27.659 ( -3.501 0.000 -0.036) 3.502 27.673 ( 1.453 0.000 -1.279) 1.936 28.585 ( -1.468 0.000 14.289) 14.364 28.790 ( 0.975 0.000 -3.787) 3.910 28.860 ( 24.661 0.000 1.112) 24.686 28.929 ( -12.547 0.000 -5.183) 13.576 29.069 ( 0.269 0.000 1.031) 1.065 29.131 ( -1.046 0.000 -6.048) 6.138 30.148 ( 2.795 0.000 4.767) 5.526 30.246 ( -8.703 0.000 -4.374) 9.741 ======================= Grid point 86 (41/63) ======================= q-point: ( 0.12 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.520 ( 9.405 0.000 10.718) 14.259 0.622 ( 2.106 0.000 7.583) 7.870 0.754 ( 5.334 0.000 4.797) 7.173 0.786 ( 4.872 0.000 -3.670) 6.099 0.816 ( 8.402 0.000 -2.651) 8.811 0.890 ( 6.586 0.000 -5.015) 8.278 1.008 ( 3.281 0.000 -2.329) 4.024 1.025 ( 1.015 0.000 1.731) 2.007 1.101 ( 6.139 0.000 -0.152) 6.141 1.131 ( -2.905 0.000 -0.717) 2.992 1.281 ( 3.693 0.000 3.503) 5.090 1.288 ( 0.197 0.000 -3.055) 3.061 1.289 ( 2.299 0.000 -0.180) 2.306 1.328 ( 3.588 0.000 0.526) 3.626 1.439 ( 3.385 0.000 1.485) 3.696 1.454 ( 8.779 0.000 3.151) 9.327 1.470 ( 3.509 0.000 -4.595) 5.782 1.524 ( 9.667 0.000 4.326) 10.591 1.539 ( 5.688 0.000 -0.286) 5.696 1.609 ( 1.665 0.000 -2.015) 2.614 1.702 ( -0.169 0.000 -12.646) 12.647 1.714 ( 1.919 0.000 5.927) 6.230 1.856 ( 4.057 0.000 -2.746) 4.899 1.908 ( 2.908 0.000 2.759) 4.009 2.011 ( 3.983 0.000 3.252) 5.142 2.055 ( -1.251 0.000 -1.678) 2.093 2.324 ( 1.317 0.000 3.171) 3.434 2.352 ( -1.329 0.000 -0.978) 1.649 2.707 ( -3.433 0.000 3.961) 5.242 2.798 ( -5.180 0.000 -2.099) 5.590 2.945 ( -4.831 0.000 -2.955) 5.663 2.980 ( -4.055 0.000 3.070) 5.086 3.188 ( -1.275 0.000 1.294) 1.816 3.188 ( -8.678 0.000 -0.618) 8.700 3.248 ( -1.245 0.000 9.462) 9.544 3.327 ( 1.591 0.000 -0.608) 1.703 3.477 ( -4.641 0.000 -0.139) 4.643 3.529 ( -3.515 0.000 -0.054) 3.515 3.603 ( -0.550 0.000 -0.955) 1.102 3.678 ( -0.973 0.000 4.617) 4.719 3.706 ( -0.381 0.000 3.134) 3.157 3.768 ( -1.949 0.000 0.621) 2.046 3.913 ( -3.573 0.000 3.893) 5.285 3.949 ( 5.153 0.000 0.648) 5.194 3.966 ( 2.656 0.000 -6.908) 7.401 4.043 ( -3.113 0.000 -5.561) 6.373 4.300 ( -1.393 0.000 4.339) 4.557 4.376 ( 1.687 0.000 0.239) 1.704 4.811 ( -1.897 0.000 3.972) 4.402 4.822 ( -1.679 0.000 -3.695) 4.059 4.979 ( -3.250 0.000 -4.124) 5.250 5.034 ( 2.848 0.000 3.845) 4.785 5.449 ( -3.428 0.000 6.231) 7.112 5.700 ( 2.731 0.000 -0.249) 2.743 5.803 ( 0.060 0.000 7.029) 7.029 5.886 ( -2.994 0.000 -10.674) 11.086 6.315 ( -5.149 0.000 -2.913) 5.915 6.327 ( -3.077 0.000 4.008) 5.053 6.767 ( 0.439 0.000 -2.535) 2.573 6.813 ( -0.581 0.000 -4.490) 4.528 7.674 ( -4.052 0.000 1.062) 4.189 7.724 ( -0.734 0.000 -1.838) 1.979 8.246 ( -11.057 0.000 7.228) 13.210 8.344 ( -11.305 0.000 -4.248) 12.077 8.541 ( 1.302 0.000 0.430) 1.372 8.607 ( -2.969 0.000 0.999) 3.132 8.984 ( 8.826 0.000 -0.402) 8.835 9.098 ( 11.453 0.000 5.995) 12.927 9.683 ( 1.395 0.000 -6.683) 6.827 9.746 ( 6.640 0.000 5.345) 8.524 9.972 ( 8.838 0.000 -0.736) 8.869 9.997 ( 10.030 0.000 0.271) 10.034 10.999 ( -1.104 0.000 -0.769) 1.345 11.036 ( 0.769 0.000 0.230) 0.802 11.194 ( -4.081 0.000 2.101) 4.590 11.341 ( 0.989 0.000 -2.719) 2.893 12.174 ( -9.790 0.000 1.756) 9.946 12.235 ( -8.677 0.000 -0.717) 8.706 12.811 ( -0.492 0.000 1.137) 1.238 12.965 ( 6.459 0.000 -1.551) 6.642 13.230 ( -2.409 0.000 4.404) 5.020 13.462 ( 6.045 0.000 -3.503) 6.987 14.880 ( -7.226 0.000 -0.104) 7.227 14.886 ( -2.847 0.000 0.350) 2.869 14.995 ( 1.133 0.000 -2.019) 2.315 15.034 ( -2.644 0.000 2.192) 3.435 15.377 ( -3.488 0.000 -0.287) 3.500 15.401 ( -2.583 0.000 -0.523) 2.635 15.693 ( -3.380 0.000 -1.986) 3.920 15.730 ( -0.158 0.000 2.282) 2.288 16.024 ( -9.940 0.000 0.086) 9.940 16.178 ( -10.418 0.000 -3.287) 10.925 16.742 ( 3.604 0.000 -0.118) 3.606 16.755 ( 0.142 0.000 0.356) 0.383 16.831 ( 2.275 0.000 2.773) 3.586 16.928 ( 21.110 0.000 0.821) 21.126 16.958 ( 12.995 0.000 -1.391) 13.069 17.078 ( 18.524 0.000 -6.550) 19.648 26.362 ( -0.136 0.000 0.008) 0.136 26.406 ( 0.704 0.000 -2.471) 2.569 26.539 ( -0.273 0.000 -1.852) 1.872 26.543 ( 0.720 0.000 1.037) 1.262 27.035 ( -0.736 0.000 0.984) 1.229 27.074 ( 0.355 0.000 0.639) 0.731 27.579 ( -4.310 0.000 3.533) 5.573 27.686 ( -0.310 0.000 -0.384) 0.494 28.539 ( -4.209 0.000 13.256) 13.908 28.631 ( -11.642 0.000 -10.318) 15.556 28.820 ( -0.141 0.000 -7.170) 7.171 29.073 ( -0.045 0.000 1.425) 1.425 29.107 ( -0.293 0.000 -3.497) 3.509 29.331 ( 19.647 0.000 -10.315) 22.190 29.942 ( -19.454 0.000 4.796) 20.036 30.109 ( -6.847 0.000 7.369) 10.059 ======================= Grid point 87 (42/63) ======================= q-point: ( 0.25 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.628 ( 2.350 0.000 6.208) 6.638 0.694 ( 4.153 0.000 2.880) 5.053 0.882 ( 4.462 0.000 0.940) 4.559 0.907 ( 2.762 0.000 3.855) 4.742 0.910 ( 3.787 0.000 -0.988) 3.913 0.970 ( 1.161 0.000 -1.853) 2.187 1.059 ( 2.160 0.000 0.108) 2.162 1.096 ( 1.951 0.000 -4.603) 5.000 1.167 ( 9.476 0.000 3.732) 10.185 1.233 ( 4.208 0.000 1.201) 4.376 1.317 ( -0.057 0.000 1.041) 1.043 1.323 ( 4.837 0.000 -5.950) 7.668 1.350 ( 1.750 0.000 0.671) 1.875 1.406 ( 4.817 0.000 2.460) 5.409 1.465 ( 2.588 0.000 0.522) 2.640 1.571 ( 7.096 0.000 -3.573) 7.944 1.593 ( 0.014 0.000 -3.561) 3.561 1.616 ( 3.252 0.000 2.984) 4.414 1.676 ( 4.436 0.000 -2.293) 4.993 1.733 ( 11.269 0.000 -1.221) 11.335 1.789 ( 8.717 0.000 -5.238) 10.169 1.923 ( 14.314 0.000 4.736) 15.077 1.978 ( 8.762 0.000 -5.342) 10.262 1.984 ( 7.684 0.000 8.488) 11.450 1.999 ( -4.038 0.000 -0.747) 4.107 2.121 ( 4.929 0.000 -0.270) 4.937 2.297 ( -3.893 0.000 0.722) 3.959 2.399 ( 6.214 0.000 2.623) 6.745 2.648 ( -8.616 0.000 -2.293) 8.915 2.683 ( 1.289 0.000 0.295) 1.323 2.851 ( -2.968 0.000 -2.630) 3.966 2.900 ( -2.922 0.000 2.379) 3.768 3.055 ( -4.900 0.000 1.239) 5.055 3.141 ( -5.190 0.000 6.745) 8.511 3.231 ( -1.663 0.000 5.070) 5.336 3.326 ( -0.743 0.000 -0.097) 0.749 3.379 ( -4.202 0.000 -0.826) 4.282 3.439 ( -6.250 0.000 1.583) 6.448 3.586 ( -2.530 0.000 -1.421) 2.902 3.623 ( -3.715 0.000 2.180) 4.307 3.704 ( -2.844 0.000 3.093) 4.201 3.734 ( -1.200 0.000 -0.088) 1.203 3.840 ( -3.232 0.000 2.143) 3.878 3.929 ( -5.988 0.000 -3.967) 7.183 4.001 ( 1.319 0.000 -3.970) 4.183 4.017 ( 0.620 0.000 2.434) 2.512 4.291 ( 0.646 0.000 3.144) 3.210 4.452 ( 5.350 0.000 3.831) 6.580 4.745 ( -5.111 0.000 3.349) 6.110 4.806 ( 0.172 0.000 -4.319) 4.322 4.947 ( 0.682 0.000 -1.486) 1.635 5.080 ( 1.180 0.000 2.056) 2.371 5.417 ( -1.399 0.000 4.939) 5.134 5.690 ( -3.783 0.000 -2.903) 4.768 5.801 ( -1.408 0.000 6.127) 6.287 5.823 ( -1.320 0.000 -8.777) 8.875 6.210 ( -3.618 0.000 -3.848) 5.282 6.243 ( -5.522 0.000 4.144) 6.904 6.780 ( 1.020 0.000 -2.965) 3.136 6.783 ( -1.182 0.000 -3.325) 3.528 7.565 ( -6.735 0.000 3.095) 7.412 7.670 ( -3.440 0.000 -5.665) 6.628 8.105 ( -5.513 0.000 6.628) 8.621 8.129 ( -8.229 0.000 -3.925) 9.117 8.557 ( 0.379 0.000 -0.921) 0.996 8.561 ( -1.934 0.000 0.881) 2.125 9.132 ( 5.724 0.000 -0.410) 5.739 9.266 ( 3.590 0.000 6.476) 7.405 9.793 ( 10.092 0.000 -6.464) 11.985 9.888 ( 6.561 0.000 3.831) 7.597 10.229 ( 16.213 0.000 -0.622) 16.225 10.275 ( 17.283 0.000 0.830) 17.303 10.978 ( -1.021 0.000 -0.345) 1.078 11.042 ( -0.258 0.000 -0.067) 0.266 11.113 ( -3.894 0.000 1.448) 4.155 11.350 ( 0.410 0.000 -2.210) 2.248 11.932 ( -14.113 0.000 0.598) 14.125 12.013 ( -13.018 0.000 0.362) 13.023 12.813 ( 0.371 0.000 2.517) 2.544 13.073 ( 4.099 0.000 -3.523) 5.405 13.231 ( 1.178 0.000 7.542) 7.634 13.564 ( 4.665 0.000 -6.155) 7.723 14.779 ( -2.679 0.000 -2.105) 3.407 14.823 ( -3.506 0.000 0.896) 3.619 14.955 ( -4.201 0.000 1.200) 4.369 15.004 ( 0.022 0.000 -2.137) 2.137 15.320 ( -1.560 0.000 -1.488) 2.156 15.357 ( -1.955 0.000 0.207) 1.966 15.640 ( -1.537 0.000 -1.166) 1.930 15.722 ( -1.176 0.000 1.783) 2.136 15.864 ( -6.402 0.000 0.288) 6.408 15.955 ( -10.344 0.000 -1.212) 10.415 16.774 ( 1.897 0.000 1.014) 2.151 16.800 ( 3.134 0.000 -1.450) 3.453 16.878 ( 1.590 0.000 4.187) 4.478 17.097 ( 3.128 0.000 -2.413) 3.951 17.371 ( 20.270 0.000 3.540) 20.577 17.482 ( 19.355 0.000 -6.901) 20.548 26.371 ( 1.002 0.000 0.739) 1.245 26.419 ( 1.204 0.000 -1.884) 2.236 26.538 ( 0.508 0.000 -2.123) 2.183 26.553 ( -0.090 0.000 1.193) 1.197 27.028 ( 0.005 0.000 0.459) 0.459 27.074 ( -0.275 0.000 0.189) 0.334 27.504 ( -4.083 0.000 5.360) 6.738 27.650 ( -3.012 0.000 -1.922) 3.572 28.447 ( -3.887 0.000 -11.600) 12.234 28.475 ( -4.552 0.000 11.516) 12.383 28.777 ( -3.176 0.000 -5.329) 6.204 29.055 ( -2.465 0.000 0.861) 2.611 29.109 ( 1.084 0.000 -2.405) 2.638 29.521 ( -10.860 0.000 -0.245) 10.863 29.645 ( 3.224 0.000 -5.034) 5.978 29.956 ( -8.854 0.000 8.568) 12.320 ======================= Grid point 88 (43/63) ======================= q-point: ( 0.38 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.691 ( 3.242 0.000 3.856) 5.038 0.782 ( 3.996 0.000 1.131) 4.153 0.900 ( -2.557 0.000 -0.412) 2.590 0.911 ( -1.970 0.000 -0.121) 1.974 0.936 ( 0.640 0.000 1.806) 1.916 0.974 ( 0.271 0.000 -0.618) 0.675 1.155 ( 4.796 0.000 -0.791) 4.861 1.158 ( 2.669 0.000 -2.139) 3.420 1.262 ( 1.758 0.000 2.631) 3.165 1.304 ( 3.289 0.000 5.539) 6.441 1.324 ( 0.826 0.000 -0.468) 0.949 1.358 ( -0.293 0.000 1.605) 1.631 1.457 ( 7.285 0.000 -5.802) 9.313 1.507 ( 2.901 0.000 -2.422) 3.780 1.523 ( 4.245 0.000 1.880) 4.642 1.606 ( 1.304 0.000 3.128) 3.389 1.646 ( 1.670 0.000 2.413) 2.935 1.671 ( 3.812 0.000 -3.454) 5.144 1.761 ( 2.917 0.000 0.054) 2.917 1.834 ( -5.141 0.000 -0.519) 5.167 1.953 ( 7.459 0.000 -1.832) 7.680 1.965 ( 2.981 0.000 -2.478) 3.876 2.030 ( -1.365 0.000 1.958) 2.387 2.159 ( 1.106 0.000 -1.814) 2.124 2.188 ( 11.079 0.000 -1.481) 11.177 2.255 ( 1.879 0.000 2.413) 3.058 2.311 ( 13.510 0.000 0.331) 13.514 2.493 ( -1.722 0.000 -1.479) 2.270 2.576 ( 7.212 0.000 -1.059) 7.289 2.766 ( 6.708 0.000 -1.810) 6.948 2.856 ( 3.959 0.000 0.696) 4.020 2.888 ( 1.034 0.000 1.270) 1.638 2.983 ( -2.561 0.000 1.146) 2.806 3.009 ( -8.917 0.000 6.772) 11.197 3.191 ( -3.103 0.000 4.384) 5.371 3.269 ( -10.696 0.000 1.836) 10.853 3.316 ( -2.168 0.000 -2.606) 3.390 3.328 ( 0.974 0.000 -0.359) 1.038 3.524 ( -1.967 0.000 -1.534) 2.494 3.550 ( -3.811 0.000 3.872) 5.433 3.606 ( -5.522 0.000 -0.676) 5.563 3.672 ( -4.732 0.000 2.449) 5.328 3.818 ( -4.113 0.000 -2.647) 4.891 3.820 ( -0.672 0.000 -1.118) 1.305 3.991 ( -2.151 0.000 2.276) 3.131 4.007 ( -0.069 0.000 0.562) 0.566 4.363 ( 5.967 0.000 0.476) 5.986 4.569 ( 2.925 0.000 6.775) 7.380 4.642 ( -3.722 0.000 1.031) 3.862 4.789 ( -1.259 0.000 -2.590) 2.880 4.989 ( 3.095 0.000 -0.433) 3.125 5.089 ( -0.511 0.000 0.219) 0.556 5.402 ( -0.894 0.000 3.884) 3.986 5.584 ( -5.200 0.000 -4.680) 6.996 5.764 ( -3.584 0.000 4.951) 6.112 5.788 ( -0.014 0.000 -8.164) 8.164 6.150 ( -3.871 0.000 4.629) 6.034 6.171 ( -0.326 0.000 -1.547) 1.581 6.761 ( -0.460 0.000 -2.822) 2.859 6.785 ( -0.151 0.000 -3.486) 3.490 7.445 ( -5.323 0.000 5.542) 7.684 7.588 ( -3.022 0.000 -7.463) 8.051 8.023 ( -4.158 0.000 5.856) 7.182 8.025 ( -1.447 0.000 -3.684) 3.958 8.533 ( -0.970 0.000 0.853) 1.292 8.557 ( -0.063 0.000 -1.562) 1.564 9.221 ( 3.653 0.000 -0.948) 3.774 9.295 ( -0.681 0.000 3.071) 3.146 9.987 ( 8.719 0.000 -3.902) 9.552 10.006 ( 4.108 0.000 3.077) 5.132 10.572 ( 17.271 0.000 -1.452) 17.332 10.649 ( 18.277 0.000 1.930) 18.379 10.942 ( -3.083 0.000 0.740) 3.170 11.023 ( -1.657 0.000 -0.381) 1.700 11.077 ( 1.292 0.000 -0.470) 1.375 11.345 ( -1.567 0.000 -0.451) 1.630 11.643 ( -13.079 0.000 -1.444) 13.158 11.738 ( -14.161 0.000 1.609) 14.252 12.840 ( 1.727 0.000 4.532) 4.850 13.101 ( -0.334 0.000 -6.268) 6.277 13.290 ( 2.686 0.000 10.166) 10.515 13.613 ( 1.481 0.000 -8.660) 8.786 14.754 ( -3.486 0.000 2.155) 4.098 14.756 ( 0.604 0.000 -4.035) 4.080 14.907 ( -0.758 0.000 0.908) 1.183 14.988 ( -1.242 0.000 -2.066) 2.410 15.305 ( 0.086 0.000 -1.466) 1.468 15.323 ( -1.517 0.000 0.310) 1.549 15.625 ( 0.057 0.000 -0.431) 0.435 15.680 ( -3.415 0.000 1.464) 3.716 15.772 ( -2.789 0.000 0.043) 2.789 15.798 ( -4.783 0.000 0.462) 4.805 16.821 ( 1.974 0.000 2.111) 2.890 16.860 ( 3.102 0.000 -2.568) 4.027 16.911 ( 1.241 0.000 4.689) 4.850 17.102 ( -1.540 0.000 -3.041) 3.409 17.693 ( 10.614 0.000 4.174) 11.405 17.779 ( 11.158 0.000 -5.378) 12.386 26.401 ( 1.584 0.000 1.178) 1.974 26.445 ( 1.552 0.000 -1.879) 2.437 26.542 ( -1.164 0.000 1.514) 1.910 26.548 ( 0.859 0.000 -2.410) 2.559 27.036 ( 0.566 0.000 0.605) 0.828 27.067 ( -0.481 0.000 0.245) 0.540 27.439 ( -3.344 0.000 6.243) 7.082 27.576 ( -3.241 0.000 -4.045) 5.184 28.405 ( -4.304 0.000 9.278) 10.228 28.436 ( 4.064 0.000 -8.783) 9.677 28.698 ( -2.853 0.000 -2.456) 3.765 28.946 ( -8.958 0.000 -0.310) 8.963 29.143 ( 2.818 0.000 -2.422) 3.716 29.269 ( -9.166 0.000 4.362) 10.151 29.770 ( 6.891 0.000 -10.403) 12.478 29.811 ( -7.341 0.000 8.981) 11.599 ======================= Grid point 89 (44/63) ======================= q-point: (-0.50 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.769 ( 3.605 0.000 3.981) 5.370 0.820 ( -4.475 0.000 -0.790) 4.544 0.857 ( 3.383 0.000 0.278) 3.394 0.867 ( -2.050 0.000 -1.079) 2.317 0.950 ( 0.324 0.000 1.395) 1.433 0.977 ( 0.112 0.000 -0.897) 0.903 1.174 ( -0.762 0.000 -0.282) 0.813 1.180 ( 0.096 0.000 -0.866) 0.871 1.313 ( -1.625 0.000 3.150) 3.545 1.342 ( 2.850 0.000 0.569) 2.907 1.350 ( -1.397 0.000 0.525) 1.492 1.357 ( 2.690 0.000 -1.091) 2.902 1.496 ( -0.196 0.000 2.947) 2.954 1.520 ( -4.387 0.000 1.237) 4.558 1.586 ( -7.514 0.000 2.561) 7.938 1.649 ( 5.079 0.000 -2.949) 5.873 1.699 ( 5.275 0.000 -0.816) 5.337 1.730 ( 4.944 0.000 2.701) 5.634 1.749 ( -1.162 0.000 -4.231) 4.387 1.791 ( 0.226 0.000 -1.496) 1.513 1.944 ( -5.726 0.000 1.421) 5.900 1.986 ( 0.475 0.000 -0.332) 0.580 2.081 ( 5.775 0.000 -2.502) 6.294 2.087 ( -5.330 0.000 -1.579) 5.559 2.299 ( 2.335 0.000 4.983) 5.503 2.391 ( 5.134 0.000 2.711) 5.806 2.403 ( -3.847 0.000 -4.526) 5.940 2.457 ( -5.663 0.000 -3.697) 6.763 2.749 ( -11.056 0.000 2.343) 11.302 2.768 ( 9.777 0.000 0.254) 9.780 2.930 ( 2.548 0.000 0.684) 2.638 2.934 ( 0.416 0.000 2.933) 2.962 2.947 ( -2.027 0.000 -1.151) 2.331 2.982 ( 5.316 0.000 -1.949) 5.662 3.112 ( -0.356 0.000 2.492) 2.518 3.131 ( -1.111 0.000 2.312) 2.565 3.284 ( -0.279 0.000 0.049) 0.283 3.328 ( -0.800 0.000 -2.360) 2.492 3.485 ( -1.878 0.000 3.571) 4.035 3.517 ( 0.817 0.000 0.023) 0.818 3.598 ( 4.163 0.000 0.984) 4.278 3.617 ( -0.040 0.000 -0.317) 0.319 3.755 ( -3.932 0.000 -0.033) 3.933 3.778 ( 0.998 0.000 -1.598) 1.884 3.997 ( 1.719 0.000 0.985) 1.981 4.005 ( 0.074 0.000 0.338) 0.346 4.490 ( -6.428 0.000 1.710) 6.652 4.509 ( 8.251 0.000 -0.565) 8.270 4.688 ( 2.654 0.000 3.790) 4.627 4.750 ( -2.495 0.000 -1.176) 2.758 5.046 ( 2.383 0.000 0.280) 2.399 5.058 ( -2.550 0.000 -0.931) 2.715 5.398 ( -0.226 0.000 4.846) 4.851 5.494 ( -2.434 0.000 -3.575) 4.325 5.683 ( -4.653 0.000 4.685) 6.603 5.813 ( 3.799 0.000 -7.052) 8.010 6.115 ( -0.889 0.000 4.573) 4.659 6.172 ( 0.590 0.000 -0.528) 0.792 6.754 ( 0.163 0.000 -1.939) 1.945 6.765 ( -0.873 0.000 -3.093) 3.214 7.394 ( -0.756 0.000 6.367) 6.412 7.541 ( -0.049 0.000 -7.081) 7.081 7.963 ( -2.456 0.000 4.112) 4.790 8.045 ( 3.642 0.000 -3.357) 4.953 8.525 ( 0.009 0.000 0.890) 0.890 8.553 ( 0.122 0.000 -1.778) 1.783 9.268 ( -2.143 0.000 0.901) 2.324 9.282 ( 2.735 0.000 -0.692) 2.821 10.038 ( -1.930 0.000 2.477) 3.140 10.091 ( 2.008 0.000 -2.741) 3.397 10.792 ( -7.831 0.000 3.009) 8.389 10.865 ( 11.665 0.000 -3.791) 12.265 10.954 ( 5.261 0.000 -0.113) 5.262 10.957 ( -6.560 0.000 -0.375) 6.571 11.180 ( -12.940 0.000 1.912) 13.080 11.217 ( 12.613 0.000 -1.561) 12.709 11.502 ( -7.717 0.000 3.274) 8.382 11.563 ( 5.796 0.000 -2.678) 6.384 12.895 ( 2.566 0.000 6.461) 6.952 13.049 ( -3.119 0.000 -7.633) 8.246 13.361 ( 2.149 0.000 11.366) 11.568 13.589 ( -2.090 0.000 -10.097) 10.311 14.703 ( -1.870 0.000 2.305) 2.968 14.780 ( 2.480 0.000 -5.048) 5.624 14.917 ( 1.191 0.000 1.526) 1.935 14.953 ( -1.711 0.000 -1.770) 2.461 15.299 ( -0.873 0.000 0.122) 0.881 15.314 ( 0.985 0.000 -1.261) 1.600 15.622 ( -1.919 0.000 1.634) 2.520 15.642 ( 1.909 0.000 -0.372) 1.945 15.748 ( -0.961 0.000 0.692) 1.185 15.752 ( 0.599 0.000 0.363) 0.700 16.837 ( -0.873 0.000 2.756) 2.891 16.901 ( 1.067 0.000 -3.217) 3.389 16.961 ( 2.818 0.000 4.624) 5.415 17.048 ( -2.588 0.000 -3.494) 4.348 17.798 ( -0.866 0.000 4.048) 4.140 17.892 ( 0.978 0.000 -4.798) 4.896 26.429 ( 0.768 0.000 0.732) 1.061 26.463 ( 0.291 0.000 -2.479) 2.496 26.517 ( -1.425 0.000 1.950) 2.415 26.562 ( 1.028 0.000 -2.281) 2.502 27.047 ( 0.228 0.000 1.143) 1.166 27.053 ( -1.073 0.000 0.662) 1.261 27.407 ( -0.791 0.000 7.224) 7.267 27.529 ( -0.393 0.000 -4.350) 4.368 28.342 ( -3.688 0.000 7.527) 8.382 28.521 ( 4.511 0.000 -9.080) 10.138 28.722 ( 6.698 0.000 1.985) 6.986 28.756 ( -7.901 0.000 -1.089) 7.976 29.161 ( -3.603 0.000 2.021) 4.131 29.215 ( 5.047 0.000 -3.031) 5.887 29.689 ( -6.782 0.000 9.015) 11.282 29.879 ( 6.148 0.000 -8.992) 10.893 ======================= Grid point 90 (45/63) ======================= q-point: (-0.38 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.734 ( -3.663 0.000 -0.602) 3.712 0.802 ( -2.375 0.000 2.082) 3.158 0.854 ( 1.718 0.000 0.721) 1.863 0.910 ( 0.991 0.000 1.729) 1.993 0.962 ( 1.510 0.000 -0.653) 1.645 0.982 ( 0.883 0.000 -2.147) 2.322 1.136 ( -4.253 0.000 -0.216) 4.259 1.154 ( -2.898 0.000 -0.722) 2.987 1.284 ( -1.672 0.000 1.628) 2.333 1.322 ( -0.524 0.000 -0.380) 0.648 1.323 ( -7.927 0.000 4.998) 9.371 1.357 ( -2.515 0.000 -0.588) 2.583 1.438 ( 2.683 0.000 -2.174) 3.453 1.459 ( -6.881 0.000 0.976) 6.950 1.466 ( -3.326 0.000 4.498) 5.594 1.655 ( -1.645 0.000 -0.409) 1.695 1.693 ( -7.990 0.000 -3.879) 8.882 1.711 ( -2.010 0.000 -3.646) 4.163 1.783 ( -1.726 0.000 -1.962) 2.613 1.830 ( -1.505 0.000 1.440) 2.083 1.871 ( 1.245 0.000 0.293) 1.278 1.984 ( -5.261 0.000 -1.144) 5.383 2.034 ( 3.680 0.000 2.704) 4.566 2.134 ( -1.927 0.000 -0.457) 1.980 2.182 ( -19.082 0.000 -0.875) 19.102 2.274 ( -5.789 0.000 3.223) 6.626 2.302 ( -3.019 0.000 -2.185) 3.727 2.449 ( 2.155 0.000 2.512) 3.310 2.564 ( -5.482 0.000 0.171) 5.485 2.720 ( -6.111 0.000 2.037) 6.442 2.869 ( -7.380 0.000 -0.114) 7.381 2.937 ( 0.197 0.000 -2.733) 2.740 3.012 ( 2.628 0.000 -1.058) 2.833 3.083 ( 9.437 0.000 -0.665) 9.460 3.201 ( 5.709 0.000 2.503) 6.234 3.266 ( 4.306 0.000 4.589) 6.293 3.317 ( 7.288 0.000 -2.063) 7.575 3.340 ( 2.990 0.000 -2.875) 4.148 3.478 ( 0.847 0.000 3.254) 3.362 3.565 ( 3.229 0.000 2.462) 4.060 3.620 ( 0.907 0.000 -2.983) 3.118 3.709 ( 5.327 0.000 -1.211) 5.463 3.762 ( 4.101 0.000 2.829) 4.982 3.819 ( 1.935 0.000 -1.006) 2.180 4.019 ( -0.269 0.000 -0.394) 0.477 4.040 ( 3.850 0.000 -1.906) 4.296 4.382 ( -3.885 0.000 -0.779) 3.962 4.660 ( 0.091 0.000 -1.421) 1.424 4.686 ( 2.809 0.000 -2.279) 3.617 4.721 ( 0.269 0.000 3.509) 3.519 4.991 ( -3.715 0.000 -0.703) 3.781 5.084 ( 1.407 0.000 1.218) 1.861 5.418 ( 1.142 0.000 8.846) 8.920 5.479 ( 1.251 0.000 -3.261) 3.492 5.638 ( -0.172 0.000 6.117) 6.120 5.887 ( 4.133 0.000 -6.386) 7.607 6.110 ( -0.870 0.000 3.791) 3.890 6.203 ( 2.858 0.000 -0.110) 2.860 6.750 ( 0.010 0.000 -1.912) 1.912 6.756 ( 0.091 0.000 -0.892) 0.896 7.435 ( 3.384 0.000 6.302) 7.153 7.552 ( 1.703 0.000 -4.047) 4.391 7.968 ( 3.268 0.000 1.272) 3.506 8.136 ( 5.739 0.000 -4.254) 7.143 8.534 ( 0.566 0.000 0.727) 0.922 8.560 ( 0.998 0.000 -1.757) 2.020 9.219 ( -2.715 0.000 -0.477) 2.756 9.330 ( 2.277 0.000 -0.392) 2.310 9.927 ( -9.639 0.000 1.958) 9.836 10.060 ( -4.195 0.000 -2.169) 4.722 10.549 ( -15.491 0.000 0.711) 15.508 10.670 ( -19.476 0.000 -0.202) 19.477 10.994 ( 0.764 0.000 -3.465) 3.548 11.015 ( 1.637 0.000 0.408) 1.687 11.075 ( 3.133 0.000 -0.879) 3.254 11.308 ( -1.772 0.000 2.911) 3.408 11.629 ( 15.983 0.000 0.175) 15.984 11.757 ( 12.239 0.000 -0.339) 12.244 12.954 ( 1.710 0.000 7.188) 7.389 12.966 ( -3.479 0.000 -7.027) 7.841 13.408 ( 0.242 0.000 10.731) 10.734 13.502 ( -4.450 0.000 -9.815) 10.777 14.696 ( 1.026 0.000 1.584) 1.887 14.825 ( 2.624 0.000 -4.777) 5.451 14.929 ( 0.200 0.000 -1.174) 1.191 14.945 ( 1.052 0.000 1.926) 2.194 15.290 ( 0.048 0.000 -0.083) 0.096 15.336 ( 1.449 0.000 -0.987) 1.754 15.611 ( 0.107 0.000 0.957) 0.963 15.698 ( 3.234 0.000 -0.216) 3.241 15.764 ( 2.834 0.000 0.739) 2.929 15.794 ( 3.834 0.000 0.782) 3.913 16.810 ( -1.997 0.000 2.150) 2.934 16.875 ( -2.808 0.000 -2.780) 3.952 17.009 ( -0.778 0.000 -4.514) 4.581 17.019 ( 1.628 0.000 4.774) 5.044 17.678 ( -11.665 0.000 4.086) 12.360 17.794 ( -10.039 0.000 -5.347) 11.374 26.428 ( -0.783 0.000 -0.195) 0.807 26.445 ( -1.381 0.000 -2.963) 3.269 26.501 ( -0.569 0.000 2.098) 2.173 26.578 ( 0.813 0.000 -1.867) 2.036 27.029 ( -1.335 0.000 1.230) 1.815 27.048 ( -0.222 0.000 1.778) 1.792 27.442 ( 2.835 0.000 8.676) 9.127 27.542 ( 2.212 0.000 -3.807) 4.403 28.280 ( -3.655 0.000 5.633) 6.715 28.591 ( 4.771 0.000 -7.562) 8.941 28.669 ( -0.916 0.000 0.232) 0.945 28.924 ( 10.820 0.000 1.238) 10.890 29.109 ( -2.136 0.000 0.864) 2.304 29.341 ( 7.958 0.000 -2.516) 8.346 29.576 ( -5.314 0.000 8.017) 9.619 29.992 ( 6.922 0.000 -7.952) 10.543 ======================= Grid point 91 (46/63) ======================= q-point: (-0.25 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.676 ( -2.317 0.000 1.159) 2.591 0.746 ( -2.698 0.000 0.443) 2.734 0.861 ( -2.127 0.000 0.598) 2.210 0.893 ( -3.327 0.000 4.315) 5.449 0.952 ( -9.867 0.000 -2.330) 10.139 0.987 ( -0.938 0.000 -2.875) 3.024 1.032 ( 3.240 0.000 0.834) 3.345 1.092 ( -1.522 0.000 -3.137) 3.487 1.186 ( -11.526 0.000 1.878) 11.678 1.237 ( -4.185 0.000 1.454) 4.431 1.263 ( -3.428 0.000 -0.630) 3.486 1.307 ( -3.278 0.000 2.845) 4.340 1.350 ( -2.118 0.000 0.384) 2.152 1.424 ( -0.209 0.000 3.583) 3.590 1.499 ( 2.364 0.000 -2.494) 3.436 1.500 ( -9.018 0.000 -3.125) 9.544 1.556 ( -11.945 0.000 0.875) 11.977 1.639 ( -5.336 0.000 0.822) 5.399 1.665 ( -10.082 0.000 3.105) 10.549 1.671 ( -7.958 0.000 -2.382) 8.307 1.756 ( -12.586 0.000 1.168) 12.640 1.878 ( -4.636 0.000 2.709) 5.369 1.984 ( 0.733 0.000 1.162) 1.374 2.009 ( -6.955 0.000 -3.862) 7.955 2.081 ( -0.712 0.000 1.740) 1.880 2.143 ( -6.143 0.000 -4.016) 7.340 2.299 ( 1.433 0.000 0.325) 1.470 2.433 ( -4.815 0.000 -0.297) 4.824 2.591 ( 7.313 0.000 2.540) 7.742 2.682 ( 1.960 0.000 0.159) 1.966 2.813 ( 2.001 0.000 1.110) 2.288 2.955 ( 2.839 0.000 -2.556) 3.820 3.056 ( 2.360 0.000 1.716) 2.918 3.176 ( 0.754 0.000 1.040) 1.284 3.303 ( 0.990 0.000 2.258) 2.466 3.320 ( 5.264 0.000 -2.782) 5.954 3.428 ( 5.824 0.000 -2.222) 6.233 3.478 ( 5.761 0.000 -2.411) 6.245 3.551 ( 5.296 0.000 3.381) 6.283 3.615 ( 2.659 0.000 2.363) 3.557 3.685 ( 3.474 0.000 3.958) 5.266 3.747 ( -0.532 0.000 -3.725) 3.763 3.861 ( 4.323 0.000 2.552) 5.020 3.880 ( 4.442 0.000 -1.615) 4.726 3.978 ( -3.295 0.000 -1.489) 3.616 4.096 ( 0.878 0.000 -4.094) 4.187 4.351 ( 0.945 0.000 -2.097) 2.300 4.532 ( -7.407 0.000 -3.534) 8.207 4.727 ( 0.075 0.000 3.008) 3.009 4.819 ( 5.988 0.000 -2.954) 6.677 4.923 ( -2.620 0.000 0.514) 2.670 5.111 ( 1.178 0.000 -0.350) 1.229 5.491 ( 4.492 0.000 13.366) 14.101 5.515 ( 2.713 0.000 -4.253) 5.045 5.693 ( 3.226 0.000 6.525) 7.279 5.940 ( 2.474 0.000 -6.967) 7.393 6.096 ( -0.517 0.000 5.352) 5.376 6.281 ( 4.378 0.000 0.531) 4.410 6.750 ( -0.513 0.000 -0.270) 0.580 6.761 ( 1.256 0.000 -1.101) 1.670 7.538 ( 5.403 0.000 5.586) 7.772 7.581 ( 1.474 0.000 1.636) 2.202 8.106 ( 9.992 0.000 -1.902) 10.172 8.250 ( 6.761 0.000 -5.925) 8.990 8.547 ( 0.538 0.000 0.226) 0.583 8.589 ( 2.269 0.000 -1.876) 2.944 9.158 ( -3.574 0.000 -2.595) 4.416 9.367 ( 1.069 0.000 -2.232) 2.474 9.680 ( -14.482 0.000 3.518) 14.903 9.943 ( -6.396 0.000 -1.266) 6.520 10.227 ( -15.712 0.000 -0.444) 15.719 10.286 ( -17.659 0.000 -0.247) 17.660 10.984 ( -0.151 0.000 -0.734) 0.749 11.036 ( 0.534 0.000 0.403) 0.669 11.166 ( 5.082 0.000 -3.664) 6.265 11.290 ( -0.791 0.000 3.371) 3.463 11.945 ( 14.951 0.000 -0.376) 14.955 12.004 ( 11.704 0.000 1.097) 11.755 12.894 ( -2.488 0.000 -4.983) 5.569 12.975 ( -1.173 0.000 5.672) 5.792 13.394 ( -4.216 0.000 -7.802) 8.868 13.407 ( -2.026 0.000 8.584) 8.819 14.754 ( 4.656 0.000 0.311) 4.666 14.857 ( 1.631 0.000 -2.541) 3.020 14.961 ( 0.076 0.000 1.962) 1.963 14.974 ( 4.287 0.000 -0.619) 4.331 15.304 ( 1.542 0.000 -0.056) 1.543 15.365 ( 1.537 0.000 -0.575) 1.641 15.619 ( 0.668 0.000 0.855) 1.085 15.746 ( 1.600 0.000 -0.464) 1.666 15.871 ( 7.564 0.000 -0.431) 7.577 15.921 ( 8.452 0.000 1.838) 8.649 16.774 ( -1.710 0.000 0.992) 1.977 16.809 ( -2.807 0.000 -2.074) 3.490 16.975 ( -2.202 0.000 -4.860) 5.336 17.027 ( -1.998 0.000 4.219) 4.668 17.366 ( -19.862 0.000 4.225) 20.306 17.472 ( -21.126 0.000 -6.399) 22.074 26.408 ( -1.480 0.000 -2.504) 2.909 26.408 ( -1.006 0.000 -0.828) 1.303 26.499 ( -0.034 0.000 1.642) 1.643 26.583 ( -0.089 0.000 -1.622) 1.625 27.012 ( -0.462 0.000 1.839) 1.896 27.048 ( -0.113 0.000 2.342) 2.345 27.549 ( 6.030 0.000 8.839) 10.700 27.590 ( 2.905 0.000 -3.190) 4.315 28.239 ( -0.563 0.000 6.536) 6.560 28.678 ( 4.950 0.000 -6.903) 8.495 28.684 ( 0.939 0.000 3.173) 3.309 29.078 ( -1.093 0.000 0.628) 1.260 29.089 ( 5.389 0.000 -2.562) 5.967 29.361 ( -7.430 0.000 8.249) 11.102 29.675 ( 14.643 0.000 -1.683) 14.739 30.131 ( 8.414 0.000 -7.572) 11.320 ======================= Grid point 92 (47/63) ======================= q-point: (-0.12 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.637 ( -2.949 0.000 7.363) 7.931 0.669 ( -11.102 0.000 6.283) 12.756 0.709 ( -10.144 0.000 -0.798) 10.175 0.771 ( -1.834 0.000 -6.317) 6.578 0.818 ( -8.035 0.000 -1.389) 8.154 0.925 ( -5.129 0.000 -6.118) 7.983 0.967 ( -4.215 0.000 1.589) 4.504 1.069 ( -4.653 0.000 0.143) 4.656 1.083 ( -4.109 0.000 0.560) 4.147 1.127 ( 4.692 0.000 -0.503) 4.719 1.228 ( -3.555 0.000 7.798) 8.570 1.251 ( 0.600 0.000 0.448) 0.748 1.281 ( -6.454 0.000 6.883) 9.435 1.296 ( -5.032 0.000 0.784) 5.093 1.385 ( -4.276 0.000 -1.427) 4.508 1.469 ( -3.541 0.000 -0.931) 3.661 1.486 ( -7.335 0.000 -2.273) 7.679 1.519 ( -2.303 0.000 1.377) 2.683 1.520 ( -0.615 0.000 2.531) 2.604 1.567 ( -4.719 0.000 2.617) 5.396 1.595 ( 0.727 0.000 -1.253) 1.449 1.828 ( -1.304 0.000 0.037) 1.305 1.875 ( -5.403 0.000 -7.090) 8.914 1.992 ( -6.581 0.000 -5.285) 8.440 1.997 ( -0.338 0.000 3.902) 3.916 2.074 ( -0.905 0.000 -2.668) 2.818 2.314 ( -0.426 0.000 2.496) 2.532 2.370 ( -1.070 0.000 -0.918) 1.410 2.724 ( 4.010 0.000 4.666) 6.153 2.766 ( 5.614 0.000 -1.772) 5.887 2.901 ( 5.398 0.000 1.490) 5.600 3.047 ( 5.037 0.000 -2.834) 5.780 3.130 ( 4.052 0.000 5.244) 6.627 3.161 ( -0.585 0.000 2.002) 2.085 3.306 ( -1.283 0.000 1.423) 1.916 3.389 ( 2.070 0.000 -2.976) 3.625 3.531 ( 0.693 0.000 -1.075) 1.279 3.537 ( 4.646 0.000 -1.815) 4.988 3.631 ( 1.278 0.000 -4.621) 4.794 3.686 ( 3.373 0.000 3.459) 4.831 3.736 ( 1.147 0.000 2.110) 2.402 3.745 ( 1.667 0.000 0.987) 1.938 3.857 ( -4.621 0.000 1.591) 4.887 3.946 ( 1.830 0.000 -2.789) 3.336 3.966 ( 1.853 0.000 1.194) 2.204 4.056 ( -2.506 0.000 -5.813) 6.330 4.377 ( 1.084 0.000 -2.747) 2.953 4.393 ( -5.272 0.000 -1.511) 5.484 4.752 ( 2.088 0.000 2.684) 3.401 4.890 ( 1.642 0.000 -3.198) 3.595 4.905 ( 0.830 0.000 2.665) 2.791 5.119 ( -0.393 0.000 -4.236) 4.254 5.564 ( 3.131 0.000 -4.672) 5.624 5.627 ( 4.776 0.000 10.592) 11.619 5.710 ( -2.779 0.000 2.756) 3.914 5.963 ( 1.160 0.000 -7.969) 8.053 6.172 ( 7.193 0.000 10.515) 12.740 6.357 ( 2.802 0.000 0.859) 2.930 6.747 ( 0.863 0.000 -0.502) 0.999 6.784 ( 0.800 0.000 -1.077) 1.341 7.625 ( 2.452 0.000 5.718) 6.221 7.650 ( 4.402 0.000 3.875) 5.864 8.312 ( 9.655 0.000 -1.375) 9.752 8.398 ( 9.709 0.000 -6.308) 11.578 8.551 ( -0.187 0.000 -0.487) 0.522 8.645 ( 3.644 0.000 -2.766) 4.575 9.025 ( -10.337 0.000 -4.736) 11.371 9.234 ( -15.114 0.000 -6.716) 16.539 9.527 ( 0.552 0.000 8.105) 8.124 9.831 ( -4.336 0.000 -2.138) 4.835 9.965 ( -9.450 0.000 -0.277) 9.454 10.004 ( -10.112 0.000 -0.321) 10.117 10.991 ( 0.870 0.000 0.028) 0.871 11.038 ( -0.403 0.000 -0.015) 0.403 11.254 ( 4.240 0.000 -3.514) 5.507 11.279 ( -1.052 0.000 3.177) 3.347 12.205 ( 7.634 0.000 1.887) 7.863 12.208 ( 11.002 0.000 -1.144) 11.061 12.852 ( -0.940 0.000 -2.602) 2.767 12.921 ( -4.711 0.000 2.568) 5.365 13.328 ( -0.639 0.000 -4.859) 4.901 13.367 ( -3.173 0.000 5.545) 6.389 14.879 ( 7.493 0.000 -0.042) 7.493 14.897 ( 2.673 0.000 -0.783) 2.785 14.956 ( -0.844 0.000 1.595) 1.804 15.071 ( 3.989 0.000 -0.973) 4.106 15.370 ( 5.780 0.000 0.529) 5.805 15.394 ( 1.364 0.000 0.131) 1.370 15.650 ( 2.458 0.000 2.055) 3.204 15.765 ( 0.448 0.000 -1.020) 1.114 16.040 ( 9.016 0.000 -1.829) 9.200 16.117 ( 10.068 0.000 2.591) 10.396 16.746 ( -1.908 0.000 -0.415) 1.953 16.774 ( 0.169 0.000 -1.146) 1.159 16.900 ( -4.278 0.000 -3.642) 5.618 16.926 ( -16.338 0.000 1.581) 16.415 16.960 ( -26.746 0.000 -3.384) 26.959 16.969 ( -10.588 0.000 4.412) 11.471 26.385 ( -0.081 0.000 -2.052) 2.054 26.389 ( -0.779 0.000 -0.773) 1.098 26.507 ( 0.551 0.000 1.289) 1.402 26.571 ( -0.662 0.000 -1.596) 1.728 27.021 ( 1.002 0.000 2.227) 2.442 27.051 ( -0.156 0.000 2.530) 2.535 27.638 ( 2.389 0.000 -2.482) 3.445 27.671 ( 3.250 0.000 2.120) 3.880 28.352 ( 12.052 0.000 14.316) 18.714 28.689 ( -1.128 0.000 5.648) 5.760 28.751 ( 3.416 0.000 -6.077) 6.971 29.067 ( -0.238 0.000 0.806) 0.840 29.129 ( -1.913 0.000 -2.305) 2.996 29.193 ( -8.475 0.000 1.682) 8.640 29.975 ( 13.288 0.000 0.655) 13.304 30.272 ( 5.720 0.000 -7.851) 9.714 ======================= Grid point 93 (48/63) ======================= q-point: ( 0.00 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 101 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.500 ( -2.682 9.099 8.745) 12.902 0.621 ( -1.391 0.668 7.301) 7.462 0.687 ( 1.240 4.752 -2.969) 5.739 0.739 ( -0.590 0.732 -0.554) 1.092 0.841 ( -3.947 3.815 -4.670) 7.208 0.860 ( 3.093 5.032 -3.857) 7.054 0.962 ( 2.483 -1.565 1.032) 3.112 0.994 ( -1.497 -0.852 -1.998) 2.638 1.097 ( -5.777 0.019 1.074) 5.876 1.114 ( 7.590 -1.754 -0.329) 7.797 1.205 ( 1.142 -1.532 1.718) 2.569 1.229 ( 0.350 0.051 3.336) 3.355 1.239 ( 1.757 -0.161 -0.593) 1.861 1.277 ( -1.747 -2.562 -1.658) 3.517 1.341 ( 0.856 5.983 7.440) 9.586 1.386 ( -1.290 -2.942 3.521) 4.766 1.407 ( 0.751 -0.733 -0.760) 1.296 1.490 ( 1.078 0.384 1.270) 1.710 1.525 ( -0.770 2.954 -0.142) 3.056 1.603 ( 1.430 0.231 -2.317) 2.732 1.656 ( 1.482 0.703 2.946) 3.372 1.774 ( -2.313 -0.656 -4.444) 5.053 1.827 ( -1.140 -0.716 -0.195) 1.360 1.881 ( -0.412 3.373 -7.450) 8.188 1.969 ( -0.729 -0.875 3.607) 3.782 2.041 ( 0.082 -1.902 -2.906) 3.474 2.280 ( -0.316 -2.515 2.230) 3.376 2.310 ( 0.072 -4.874 -0.285) 4.883 2.747 ( -1.491 -0.225 4.000) 4.275 2.809 ( 1.113 -1.675 -1.863) 2.741 3.004 ( 1.451 -1.540 1.589) 2.646 3.031 ( -2.568 -0.832 -0.959) 2.865 3.221 ( 2.376 2.368 5.159) 6.154 3.260 ( -3.867 1.169 1.004) 4.162 3.277 ( 4.988 1.820 2.337) 5.801 3.367 ( -4.339 0.780 -4.978) 6.650 3.504 ( 0.100 -2.082 1.401) 2.511 3.549 ( -0.370 -3.913 -0.982) 4.052 3.575 ( 0.135 -4.209 2.659) 4.980 3.625 ( -3.347 -3.534 -1.402) 5.065 3.739 ( 0.473 -0.648 5.191) 5.253 3.798 ( -0.655 0.549 -0.671) 1.087 3.833 ( 1.590 -0.731 2.899) 3.386 3.929 ( -2.174 -3.097 0.639) 3.837 3.950 ( 2.389 -0.173 -5.132) 5.663 3.994 ( 1.165 -3.546 -3.044) 4.816 4.384 ( -0.336 6.029 3.224) 6.845 4.454 ( -2.478 6.931 -3.902) 8.331 4.776 ( 0.785 -2.436 2.703) 3.723 4.847 ( -1.205 -3.258 -3.857) 5.191 4.968 ( 2.603 1.056 3.895) 4.802 5.054 ( -2.508 0.422 -4.155) 4.872 5.565 ( -2.898 0.899 4.734) 5.623 5.636 ( 1.197 -2.184 -0.567) 2.554 5.743 ( 1.779 0.202 6.237) 6.489 5.878 ( -0.282 -5.434 -4.247) 6.903 6.327 ( 3.566 1.286 3.687) 5.288 6.414 ( -2.522 1.183 -4.081) 4.942 6.786 ( -0.700 0.717 -1.397) 1.719 6.807 ( 2.914 0.800 -3.814) 4.866 7.714 ( 2.468 1.907 3.875) 4.974 7.735 ( 1.666 2.190 1.669) 3.218 8.441 ( -0.710 -0.150 2.050) 2.175 8.506 ( -0.353 -0.200 -2.973) 3.001 8.524 ( -8.100 -4.376 1.510) 9.330 8.580 ( 4.164 -2.185 -3.158) 5.665 8.987 ( 4.565 8.768 1.139) 9.951 9.025 ( -8.186 8.489 -2.731) 12.105 9.560 ( 5.738 -5.125 5.581) 9.505 9.660 ( -4.817 -7.057 -3.601) 9.272 9.874 ( 0.483 -0.739 0.269) 0.923 9.883 ( -0.217 -0.945 -0.523) 1.102 11.027 ( -0.346 1.036 -0.153) 1.103 11.034 ( 0.262 1.052 -0.886) 1.400 11.248 ( -1.870 -0.368 2.331) 3.011 11.300 ( 2.067 -1.391 -2.583) 3.588 12.312 ( -0.041 2.734 2.558) 3.744 12.374 ( -0.148 2.863 -3.366) 4.422 12.840 ( -2.622 0.347 1.076) 2.855 12.864 ( 2.060 -0.060 -1.063) 2.319 13.293 ( -3.065 -0.349 2.624) 4.050 13.347 ( 3.330 -1.139 -2.482) 4.306 14.914 ( -0.442 -1.187 1.126) 1.695 14.937 ( 0.379 -1.210 -0.979) 1.603 15.013 ( 3.615 -0.004 1.182) 3.803 15.038 ( -3.766 -0.931 -0.972) 3.999 15.430 ( 0.478 1.347 1.014) 1.753 15.464 ( -0.962 0.778 -2.321) 2.630 15.702 ( 1.341 -1.089 1.899) 2.567 15.737 ( -1.322 -1.571 -1.402) 2.486 16.231 ( -4.047 -0.160 0.467) 4.077 16.239 ( 7.259 -0.522 -0.275) 7.283 16.597 ( -2.278 0.091 0.581) 2.353 16.603 ( 1.057 -0.056 0.026) 1.059 16.789 ( 0.697 0.252 0.820) 1.106 16.807 ( -0.115 -0.156 -0.855) 0.877 16.846 ( -3.731 0.282 0.290) 3.752 16.859 ( 4.591 -0.061 -0.824) 4.665 26.395 ( -0.455 1.512 -0.686) 1.721 26.400 ( 0.168 1.399 -1.231) 1.871 26.523 ( 1.057 -0.590 0.855) 1.482 26.548 ( -0.732 -0.734 -1.608) 1.913 27.089 ( 0.894 3.584 2.432) 4.422 27.117 ( -0.095 5.547 -0.687) 5.590 27.616 ( -1.577 -3.145 0.808) 3.610 27.662 ( -0.337 -1.868 -3.493) 3.976 28.605 ( -0.526 2.013 12.599) 12.770 28.781 ( 3.509 -1.162 -0.565) 3.739 28.845 ( 16.493 -1.052 -1.409) 16.587 28.910 ( -11.059 -1.862 -6.162) 12.796 29.062 ( 0.332 -0.523 0.600) 0.862 29.102 ( -0.646 -2.276 -4.103) 4.736 30.138 ( -0.259 -0.536 5.480) 5.512 30.220 ( -4.239 -2.138 -1.955) 5.135 ======================= Grid point 94 (49/63) ======================= q-point: ( 0.12 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.576 ( 3.869 4.099 7.959) 9.753 0.683 ( 5.713 3.482 6.629) 9.418 0.708 ( 1.117 -1.609 5.061) 5.427 0.807 ( 6.854 1.496 -3.804) 7.980 0.832 ( 5.008 1.648 -6.791) 8.597 0.938 ( 4.009 3.061 -0.791) 5.106 1.002 ( 1.149 -0.706 -0.909) 1.627 1.016 ( 3.896 -0.194 -1.518) 4.186 1.111 ( 5.851 1.851 0.412) 6.151 1.159 ( -0.706 2.387 -0.054) 2.490 1.236 ( -0.306 -3.615 -2.029) 4.157 1.261 ( 0.633 -0.039 0.390) 0.744 1.324 ( 5.945 -0.191 -0.867) 6.011 1.328 ( 5.393 -0.614 -0.408) 5.443 1.433 ( 5.636 -0.864 0.723) 5.747 1.441 ( 6.146 -1.199 1.793) 6.513 1.491 ( 8.270 -0.830 0.525) 8.328 1.524 ( -0.735 3.328 2.240) 4.079 1.540 ( 6.828 -0.040 2.069) 7.135 1.607 ( 1.825 -0.336 -0.424) 1.904 1.710 ( 1.144 0.505 1.044) 1.629 1.719 ( 2.069 0.876 -5.028) 5.507 1.861 ( 4.952 0.659 -0.346) 5.007 1.911 ( 1.625 0.708 0.168) 1.781 2.008 ( 4.622 0.752 1.340) 4.870 2.033 ( -0.455 -1.746 -1.869) 2.598 2.294 ( 1.413 -2.445 2.153) 3.551 2.308 ( -0.329 -3.871 -0.080) 3.886 2.695 ( -3.334 0.152 2.798) 4.355 2.769 ( -4.730 -2.000 -1.345) 5.309 2.969 ( -2.491 -0.766 -0.671) 2.691 2.984 ( -4.007 1.182 1.885) 4.583 3.204 ( -2.105 -0.240 0.156) 2.125 3.216 ( -6.256 0.223 2.053) 6.588 3.242 ( -3.280 3.539 2.924) 5.642 3.350 ( 1.302 1.502 0.714) 2.112 3.457 ( -5.348 -1.446 2.041) 5.904 3.521 ( -4.319 -2.075 -1.004) 4.896 3.558 ( 2.948 -2.891 -0.033) 4.129 3.656 ( 2.265 -2.860 4.458) 5.760 3.713 ( -1.808 1.123 3.817) 4.370 3.778 ( -1.887 0.765 0.391) 2.073 3.848 ( -4.668 -4.357 -0.966) 6.458 3.905 ( 2.879 -4.295 1.861) 5.496 3.983 ( 1.461 -0.681 -2.634) 3.088 4.005 ( 0.079 -1.532 -5.059) 5.286 4.357 ( -2.207 6.144 2.376) 6.948 4.454 ( 2.264 6.523 1.604) 7.088 4.768 ( -2.239 -3.310 2.647) 4.793 4.809 ( -1.040 -1.565 -3.442) 3.922 4.991 ( -2.119 2.077 -2.740) 4.039 5.032 ( 2.038 -1.347 2.762) 3.688 5.492 ( -3.659 3.541 4.659) 6.902 5.671 ( 0.781 -4.213 1.100) 4.424 5.780 ( 0.614 -0.320 5.075) 5.123 5.858 ( -0.424 -2.709 -5.853) 6.464 6.312 ( -5.708 0.660 -3.727) 6.849 6.359 ( -1.885 1.439 2.173) 3.217 6.756 ( -1.210 0.090 -2.844) 3.092 6.820 ( -0.734 -0.262 -3.929) 4.005 7.711 ( -3.092 3.077 1.001) 4.476 7.747 ( -0.873 2.010 -2.055) 3.004 8.224 ( -13.111 -1.392 4.953) 14.084 8.332 ( -10.052 -1.545 -1.979) 10.361 8.550 ( 2.202 0.820 -1.429) 2.750 8.608 ( -1.514 0.069 1.227) 1.950 9.030 ( 5.531 4.535 -0.406) 7.164 9.164 ( 9.269 5.778 5.287) 12.135 9.616 ( 2.554 -5.914 -5.563) 8.512 9.706 ( 7.673 -3.998 4.800) 9.895 9.965 ( 9.407 -0.417 -0.346) 9.423 9.995 ( 10.342 -0.416 -0.167) 10.352 11.008 ( -1.191 0.830 -0.163) 1.461 11.040 ( -0.008 0.295 -0.238) 0.379 11.200 ( -3.178 0.708 1.536) 3.600 11.322 ( 0.765 -1.855 -2.250) 3.015 12.210 ( -10.101 2.984 1.561) 10.647 12.257 ( -9.568 1.820 -1.168) 9.810 12.812 ( -0.545 0.222 1.157) 1.298 12.929 ( 3.546 -2.984 -0.045) 4.634 13.267 ( 0.945 3.239 2.489) 4.193 13.450 ( 6.249 -1.340 -2.971) 7.048 14.869 ( -3.552 -0.425 0.190) 3.582 14.892 ( -4.976 -0.045 -0.302) 4.985 14.986 ( 0.401 -0.531 -1.150) 1.329 15.028 ( -2.688 -0.716 1.219) 3.038 15.383 ( -3.848 0.598 -0.426) 3.918 15.405 ( -3.491 0.295 -0.329) 3.518 15.685 ( -2.751 -0.620 -1.468) 3.179 15.715 ( -0.323 -1.289 1.815) 2.250 16.033 ( -9.663 0.911 0.024) 9.705 16.148 ( -10.000 -2.522 -2.102) 10.525 16.749 ( 3.728 0.639 0.295) 3.794 16.758 ( 0.894 0.264 0.367) 1.001 16.838 ( 3.075 0.737 1.887) 3.682 16.915 ( 17.321 -1.072 0.175) 17.355 16.966 ( 15.186 0.615 -1.053) 15.234 17.052 ( 17.791 -2.207 -4.652) 18.521 26.383 ( -0.200 1.911 -0.230) 1.935 26.412 ( 0.835 0.916 -0.844) 1.500 26.530 ( -0.356 -0.951 -1.521) 1.829 26.542 ( 0.384 -0.574 0.502) 0.854 27.090 ( -0.735 4.495 0.048) 4.555 27.115 ( -0.145 4.165 0.258) 4.175 27.553 ( -3.967 -2.259 3.415) 5.702 27.653 ( -0.851 -3.195 -1.472) 3.619 28.558 ( -4.566 1.749 9.909) 11.050 28.633 ( -10.344 0.099 -7.967) 13.057 28.836 ( 0.807 1.696 -6.105) 6.387 29.052 ( -0.128 -2.214 0.355) 2.246 29.093 ( 0.774 -0.994 -1.441) 1.914 29.251 ( 17.130 -6.789 -7.231) 19.795 29.944 ( -16.353 1.225 6.030) 17.472 30.112 ( -7.974 -0.689 4.689) 9.276 ======================= Grid point 95 (50/63) ======================= q-point: ( 0.25 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 101 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.634 ( 2.231 0.654 5.156) 5.656 0.726 ( 2.279 1.670 2.973) 4.101 0.869 ( 7.019 -1.174 2.141) 7.431 0.920 ( 2.060 0.641 0.331) 2.183 0.931 ( 4.192 2.469 -0.458) 4.887 0.970 ( 0.539 0.092 -1.060) 1.193 1.044 ( 3.132 0.767 -0.569) 3.275 1.084 ( 2.785 -1.991 -2.901) 4.487 1.178 ( 2.918 1.277 1.708) 3.614 1.247 ( 4.924 0.639 0.458) 4.986 1.265 ( 4.028 -4.236 -2.517) 6.364 1.317 ( 4.566 0.173 -0.719) 4.626 1.363 ( 0.591 1.312 1.593) 2.146 1.406 ( 3.763 -0.034 1.731) 4.142 1.486 ( 1.622 1.487 0.823) 2.350 1.532 ( 2.229 -2.641 0.992) 3.596 1.596 ( 3.460 1.008 -5.891) 6.906 1.636 ( 5.456 -0.267 1.240) 5.602 1.676 ( 4.940 -0.394 -3.057) 5.822 1.736 ( 10.441 0.408 1.037) 10.500 1.777 ( 6.946 -3.159 -2.863) 8.150 1.900 ( 11.807 -0.949 0.583) 11.859 1.957 ( 2.961 -0.624 2.022) 3.639 1.985 ( 3.220 -0.528 -3.215) 4.581 2.050 ( 8.983 4.331 4.116) 10.789 2.108 ( 3.487 0.043 0.434) 3.514 2.301 ( 0.051 0.546 -0.204) 0.585 2.365 ( 5.838 -2.914 2.415) 6.958 2.623 ( -7.077 -1.280 -2.066) 7.483 2.675 ( 0.252 0.518 0.842) 1.020 2.899 ( -2.653 2.861 -0.616) 3.951 2.943 ( -0.871 1.133 0.728) 1.604 3.065 ( -5.913 2.206 -0.727) 6.353 3.170 ( -5.328 1.544 7.668) 9.464 3.194 ( -1.329 -1.571 1.251) 2.408 3.326 ( -3.831 -0.565 1.806) 4.273 3.366 ( -3.061 -1.268 0.990) 3.458 3.422 ( -5.956 -1.397 -0.307) 6.126 3.592 ( -1.521 0.446 0.217) 1.600 3.631 ( -6.663 -2.531 1.662) 7.318 3.669 ( -0.939 0.642 1.648) 2.003 3.751 ( -0.862 0.961 0.536) 1.397 3.806 ( 0.552 -2.533 2.051) 3.306 3.892 ( -3.521 -3.305 -1.924) 5.198 4.000 ( 0.090 -0.549 -3.420) 3.465 4.004 ( 0.491 -1.175 1.027) 1.636 4.335 ( 0.162 5.041 1.792) 5.352 4.525 ( 3.951 5.718 4.078) 8.059 4.707 ( -3.923 -2.828 1.833) 5.171 4.805 ( 0.892 -0.495 -3.233) 3.390 4.954 ( -0.633 1.149 -1.324) 1.863 5.067 ( 0.795 -2.537 2.542) 3.678 5.448 ( -1.848 3.748 4.337) 6.022 5.655 ( -2.081 -3.618 -1.484) 4.430 5.777 ( -1.951 -0.722 3.947) 4.462 5.843 ( -0.336 -0.144 -5.058) 5.071 6.192 ( -4.892 0.336 -2.278) 5.407 6.279 ( -5.700 1.597 0.647) 5.955 6.739 ( -0.062 -1.814 -3.348) 3.809 6.788 ( -1.377 -1.055 -3.166) 3.610 7.612 ( -6.482 4.167 2.932) 8.245 7.701 ( -2.768 2.718 -4.895) 6.246 8.028 ( -7.315 -4.478 1.984) 8.803 8.135 ( -8.644 -1.858 -0.033) 8.841 8.576 ( -0.390 1.555 0.357) 1.642 8.588 ( 0.701 2.600 -0.934) 2.850 9.130 ( 3.814 0.373 0.604) 3.879 9.282 ( 1.798 0.532 3.706) 4.154 9.760 ( 11.264 -2.227 -4.336) 12.273 9.871 ( 7.759 -1.917 3.679) 8.798 10.234 ( 16.754 0.487 -0.573) 16.771 10.275 ( 17.268 -0.087 0.398) 17.273 10.983 ( -1.361 0.430 0.179) 1.439 11.025 ( -1.609 -1.117 0.810) 2.119 11.143 ( -2.179 2.554 0.067) 3.358 11.329 ( 0.453 -2.051 -2.022) 2.915 11.956 ( -14.792 2.150 0.551) 14.957 12.021 ( -13.671 0.554 0.204) 13.684 12.815 ( 0.548 0.384 2.418) 2.508 12.988 ( 2.365 -5.662 0.601) 6.165 13.323 ( 3.173 6.369 2.625) 7.584 13.555 ( 4.698 -0.986 -5.341) 7.182 14.785 ( -3.184 0.676 -1.729) 3.686 14.833 ( -1.960 0.821 0.694) 2.235 14.938 ( -5.150 -1.425 0.645) 5.382 14.988 ( -0.322 -1.552 -1.454) 2.150 15.319 ( -2.101 -0.116 -1.372) 2.513 15.345 ( -2.527 -1.010 -0.126) 2.725 15.639 ( -1.411 -0.052 -0.757) 1.602 15.703 ( -1.379 -1.719 1.576) 2.710 15.881 ( -5.961 1.452 0.252) 6.140 15.947 ( -8.950 -0.635 -0.782) 9.007 16.782 ( 1.921 0.758 1.147) 2.362 16.808 ( 2.934 0.588 0.162) 2.997 16.894 ( 2.018 1.707 2.062) 3.352 17.074 ( 3.263 -2.204 -2.313) 4.567 17.374 ( 20.143 0.320 2.583) 20.310 17.461 ( 19.687 -1.891 -5.383) 20.497 26.390 ( 0.933 1.782 0.447) 2.060 26.430 ( 1.215 1.100 -0.885) 1.863 26.527 ( 0.448 -1.054 -2.062) 2.359 26.546 ( -0.250 -0.828 1.144) 1.434 27.078 ( -0.227 4.319 -0.887) 4.415 27.108 ( -0.648 3.279 0.743) 3.424 27.483 ( -3.838 -1.852 5.029) 6.592 27.611 ( -2.969 -3.761 -2.014) 5.198 28.461 ( -3.696 1.346 -8.862) 9.696 28.490 ( -4.626 1.162 7.561) 8.939 28.808 ( -3.038 3.069 -3.844) 5.782 29.027 ( -2.665 -2.342 0.647) 3.606 29.120 ( 2.030 0.956 -1.404) 2.647 29.447 ( -0.628 -7.480 -4.147) 8.576 29.665 ( -6.033 3.059 0.874) 6.821 29.936 ( -9.609 -2.349 6.578) 11.879 ======================= Grid point 96 (51/63) ======================= q-point: ( 0.38 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.700 ( 3.523 0.999 3.710) 5.213 0.787 ( 2.974 -0.071 1.676) 3.415 0.895 ( -2.713 0.019 1.022) 2.899 0.919 ( -1.200 0.730 -0.975) 1.710 0.971 ( 1.129 2.530 0.297) 2.787 0.994 ( -0.029 2.147 -0.680) 2.253 1.124 ( 6.579 -2.336 -1.868) 7.227 1.164 ( 3.128 -0.640 -1.372) 3.475 1.198 ( -1.148 -1.159 2.356) 2.866 1.280 ( -1.570 -3.580 -0.033) 3.909 1.359 ( 3.962 -0.546 0.679) 4.056 1.392 ( 2.177 2.503 5.065) 6.054 1.416 ( 8.508 -2.258 -2.547) 9.164 1.513 ( -0.996 -0.069 1.313) 1.650 1.529 ( 4.659 0.273 0.126) 4.668 1.571 ( 3.647 1.182 0.140) 3.837 1.665 ( 4.308 0.730 -1.526) 4.628 1.694 ( 2.167 0.751 -0.845) 2.444 1.768 ( 2.746 0.809 0.015) 2.863 1.828 ( -4.084 -1.153 -1.123) 4.390 1.886 ( 1.573 -5.263 0.347) 5.504 1.937 ( 4.674 -2.274 -2.593) 5.809 2.052 ( 0.124 0.411 0.297) 0.522 2.099 ( 3.323 -2.668 -0.815) 4.339 2.220 ( 11.522 2.494 0.686) 11.809 2.293 ( 0.335 1.978 1.677) 2.615 2.337 ( 11.782 2.126 -0.628) 11.989 2.442 ( -0.416 -4.143 -2.256) 4.736 2.586 ( 7.365 1.573 -0.239) 7.535 2.758 ( 6.186 -0.315 0.294) 6.201 2.889 ( 1.681 1.898 0.248) 2.548 2.942 ( 0.537 3.762 -0.532) 3.837 2.983 ( -2.921 0.583 1.856) 3.510 3.045 ( -7.191 3.153 3.607) 8.641 3.158 ( -3.344 -2.555 4.312) 6.025 3.241 ( -7.466 -3.320 0.223) 8.174 3.280 ( -3.127 -1.631 -0.427) 3.553 3.329 ( -2.278 -0.481 0.041) 2.328 3.516 ( -2.035 -0.870 0.160) 2.219 3.552 ( -3.551 -0.116 2.285) 4.224 3.618 ( -3.358 1.727 -0.304) 3.788 3.696 ( -4.675 1.564 2.096) 5.357 3.813 ( -3.125 -0.262 -2.602) 4.074 3.830 ( 0.013 0.605 -1.274) 1.411 3.994 ( -0.538 0.073 2.200) 2.266 4.003 ( 0.405 -0.410 0.336) 0.667 4.386 ( 4.494 2.499 1.232) 5.287 4.585 ( -1.539 0.200 3.477) 3.807 4.652 ( 0.629 2.089 2.225) 3.116 4.806 ( -0.573 1.156 -2.619) 2.919 4.977 ( 2.860 -0.694 -0.018) 2.943 5.072 ( -0.644 -2.335 1.184) 2.696 5.426 ( -1.117 3.232 4.245) 5.451 5.591 ( -3.659 -0.295 -3.212) 4.877 5.734 ( -2.500 -1.383 3.116) 4.227 5.811 ( -1.752 0.713 -5.152) 5.488 6.123 ( -2.090 -1.279 1.155) 2.709 6.179 ( -3.540 -0.201 -0.575) 3.592 6.732 ( -0.120 -2.330 -3.254) 4.003 6.757 ( -1.233 -2.441 -3.088) 4.125 7.498 ( -5.091 4.885 5.614) 9.017 7.632 ( -2.544 4.078 -6.951) 8.451 7.938 ( -2.702 -6.145 2.832) 7.286 8.004 ( -4.034 -3.544 -1.211) 5.505 8.563 ( -0.689 2.943 2.004) 3.626 8.607 ( 1.044 3.925 -3.155) 5.143 9.183 ( 1.390 -2.466 2.565) 3.820 9.292 ( -0.167 -1.283 -1.353) 1.872 9.966 ( 8.540 -1.077 -1.353) 8.713 10.009 ( 5.036 -0.401 2.117) 5.478 10.585 ( 17.486 1.156 -1.442) 17.583 10.647 ( 18.336 -0.233 1.294) 18.383 10.942 ( -3.242 0.060 0.980) 3.387 10.990 ( -1.720 -1.886 0.921) 2.714 11.129 ( 1.456 3.814 -1.481) 4.342 11.334 ( -0.143 -1.344 -0.852) 1.598 11.650 ( -14.638 0.808 -0.843) 14.684 11.733 ( -14.773 -0.615 1.160) 14.832 12.845 ( 1.807 0.624 4.246) 4.657 13.022 ( 0.762 -5.455 -0.626) 5.543 13.379 ( 1.807 6.408 3.686) 7.610 13.606 ( 1.427 -0.866 -7.646) 7.826 14.743 ( -1.263 0.178 -0.497) 1.368 14.792 ( -2.135 2.310 -1.170) 3.356 14.879 ( -0.358 -2.494 0.791) 2.640 14.968 ( -1.338 -1.988 -1.709) 2.943 15.292 ( -0.539 -1.071 -1.355) 1.810 15.302 ( -1.738 -1.617 0.013) 2.374 15.626 ( 0.149 0.120 0.022) 0.192 15.668 ( -2.165 -1.080 1.237) 2.717 15.793 ( -2.935 1.743 0.046) 3.414 15.810 ( -4.545 1.047 0.439) 4.685 16.828 ( 1.970 0.739 2.223) 3.061 16.868 ( 2.949 0.404 0.045) 2.976 16.926 ( 1.027 1.691 1.779) 2.661 17.085 ( -1.142 -1.670 -2.995) 3.614 17.695 ( 10.796 0.266 3.243) 11.275 17.765 ( 11.261 -1.311 -4.417) 12.167 26.417 ( 1.414 1.536 1.040) 2.333 26.456 ( 1.437 0.992 -1.476) 2.286 26.535 ( -1.055 -0.862 1.427) 1.973 26.538 ( 0.927 -0.881 -2.253) 2.591 27.080 ( 0.534 3.918 -0.659) 4.009 27.095 ( -0.823 2.687 1.009) 2.986 27.422 ( -3.125 -1.498 5.785) 6.743 27.541 ( -2.907 -3.292 -3.563) 5.655 28.422 ( -3.633 1.481 7.324) 8.308 28.445 ( 3.224 0.778 -7.411) 8.119 28.723 ( -3.608 2.487 -2.030) 4.830 28.919 ( -8.438 -2.368 0.107) 8.765 29.167 ( 3.085 2.241 -2.140) 4.373 29.286 ( -7.916 1.242 3.320) 8.674 29.715 ( 5.218 -4.356 -6.682) 9.532 29.781 ( -6.765 -3.162 6.059) 9.617 ======================= Grid point 97 (52/63) ======================= q-point: (-0.50 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 101 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.780 ( 3.204 1.026 3.562) 4.899 0.824 ( -1.594 -0.024 -0.154) 1.601 0.856 ( 1.215 0.315 0.570) 1.379 0.875 ( -2.030 0.465 -1.004) 2.312 0.984 ( 0.132 3.166 0.186) 3.174 0.997 ( 0.156 1.813 -0.837) 2.003 1.158 ( -2.572 -0.736 1.496) 3.066 1.193 ( 0.889 0.550 -1.304) 1.672 1.227 ( 2.169 -4.668 0.385) 5.162 1.248 ( -0.598 -4.914 -1.945) 5.319 1.420 ( -1.345 2.830 3.352) 4.588 1.425 ( 0.592 0.608 3.498) 3.600 1.480 ( 1.076 0.521 1.089) 1.617 1.519 ( -4.596 -0.820 0.240) 4.674 1.612 ( -2.504 2.109 -0.889) 3.392 1.618 ( 5.430 -2.651 -2.831) 6.673 1.696 ( 3.364 -0.709 0.645) 3.498 1.739 ( 2.629 1.562 2.467) 3.929 1.742 ( -1.718 -0.784 -3.061) 3.596 1.793 ( -0.562 0.751 -2.131) 2.329 1.896 ( -1.031 -2.232 2.837) 3.754 1.973 ( -1.885 -2.344 -3.526) 4.634 2.062 ( -2.482 -0.821 0.437) 2.651 2.080 ( 3.276 -1.343 -1.496) 3.843 2.310 ( -1.163 0.072 3.775) 3.951 2.354 ( 1.669 -2.165 0.882) 2.872 2.449 ( 0.107 2.865 -2.034) 3.515 2.471 ( -2.472 1.389 -3.401) 4.428 2.738 ( -4.955 -0.553 2.294) 5.488 2.767 ( 4.513 -0.106 -0.378) 4.530 2.930 ( -0.674 0.355 1.434) 1.624 2.949 ( 3.304 0.573 -0.645) 3.414 2.970 ( -0.288 2.666 1.687) 3.168 3.013 ( 0.733 1.668 -1.427) 2.314 3.078 ( -0.056 -2.090 3.201) 3.823 3.134 ( -0.162 -0.959 -1.497) 1.786 3.258 ( -0.334 -1.560 1.550) 2.224 3.300 ( 0.103 -2.122 -1.029) 2.361 3.479 ( -1.575 0.208 3.193) 3.566 3.525 ( 0.569 -0.018 -0.318) 0.652 3.620 ( 2.926 1.636 1.076) 3.520 3.636 ( -0.285 1.732 0.500) 1.825 3.773 ( -3.719 1.401 -0.958) 4.088 3.782 ( 0.951 0.425 -1.316) 1.678 4.012 ( 0.534 0.721 0.658) 1.113 4.015 ( 1.319 1.324 0.435) 1.919 4.469 ( -1.067 -0.409 3.661) 3.835 4.538 ( 2.630 0.687 -2.712) 3.839 4.703 ( 2.068 1.915 3.968) 4.867 4.777 ( -1.755 2.469 -2.339) 3.827 5.038 ( 1.019 -1.520 0.325) 1.858 5.047 ( -0.449 -0.577 -0.356) 0.813 5.422 ( -0.326 2.473 5.806) 6.319 5.520 ( -2.123 1.558 -2.358) 3.535 5.683 ( -3.512 0.279 4.439) 5.667 5.792 ( 1.641 -1.477 -5.078) 5.537 6.113 ( 0.480 -0.549 1.638) 1.793 6.141 ( -0.062 -2.695 -0.715) 2.789 6.719 ( -0.749 -2.711 -1.795) 3.336 6.736 ( 0.133 -2.668 -3.335) 4.272 7.448 ( -1.001 5.003 6.501) 8.264 7.593 ( 0.084 4.742 -6.655) 8.172 7.894 ( -2.207 -6.142 4.841) 8.125 7.996 ( 3.327 -4.645 -4.407) 7.216 8.558 ( -0.261 3.415 2.107) 4.021 8.616 ( 0.573 4.774 -3.622) 6.020 9.197 ( -0.729 -4.172 4.652) 6.291 9.288 ( 0.556 -1.744 -4.122) 4.510 10.043 ( -1.226 0.461 2.016) 2.404 10.080 ( 1.815 -0.860 -1.645) 2.597 10.806 ( -7.557 1.333 2.920) 8.211 10.876 ( 10.915 1.029 -3.573) 11.531 10.922 ( -3.777 -2.049 1.210) 4.464 10.957 ( 3.711 -0.766 -2.082) 4.323 11.209 ( -11.560 2.616 2.234) 12.061 11.248 ( 9.893 2.691 -1.315) 10.337 11.483 ( -6.876 -1.676 2.868) 7.636 11.542 ( 5.453 -2.014 -2.773) 6.441 12.898 ( 2.268 0.336 5.650) 6.098 13.009 ( -1.602 -3.193 -3.660) 5.115 13.414 ( 0.775 4.349 6.612) 7.952 13.584 ( -1.927 -0.581 -8.601) 8.833 14.713 ( -1.566 1.033 2.254) 2.933 14.783 ( 1.842 0.232 -4.331) 4.712 14.897 ( 0.842 -1.701 1.449) 2.388 14.937 ( -0.888 -1.564 -2.119) 2.779 15.277 ( -0.712 -1.691 0.174) 1.843 15.290 ( 0.498 -1.899 -1.014) 2.210 15.632 ( -1.015 0.592 1.159) 1.651 15.645 ( 1.353 0.060 -0.126) 1.360 15.761 ( -0.708 1.245 0.794) 1.637 15.767 ( 0.271 1.328 0.226) 1.374 16.850 ( -0.421 1.259 2.871) 3.163 16.913 ( 1.056 0.922 -2.537) 2.899 16.958 ( 2.043 -0.153 3.703) 4.232 17.039 ( -2.291 -0.918 -3.419) 4.217 17.802 ( -0.684 0.469 3.198) 3.303 17.879 ( 0.760 -1.286 -3.970) 4.242 26.439 ( 0.340 0.966 0.936) 1.387 26.474 ( 0.576 1.093 -2.360) 2.664 26.511 ( -1.411 -0.637 1.858) 2.419 26.555 ( 1.135 -0.698 -2.306) 2.664 27.075 ( -1.302 2.602 1.572) 3.307 27.093 ( 0.526 3.598 -0.196) 3.642 27.392 ( -0.728 -1.289 6.492) 6.659 27.503 ( 0.092 -2.531 -4.092) 4.812 28.366 ( -3.557 2.281 6.809) 8.013 28.514 ( 3.233 -0.807 -6.716) 7.497 28.725 ( 3.957 0.407 1.226) 4.163 28.755 ( -4.246 -0.067 -1.677) 4.566 29.186 ( -3.499 2.378 2.066) 4.708 29.238 ( 4.472 2.056 -2.804) 5.665 29.659 ( -5.991 -2.644 7.627) 10.052 29.819 ( 5.620 -5.601 -7.556) 10.956 ======================= Grid point 98 (53/63) ======================= q-point: (-0.38 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.750 ( -3.193 1.597 -0.668) 3.632 0.833 ( -1.895 0.892 -2.085) 2.956 0.858 ( 1.675 1.379 3.985) 4.537 0.894 ( 1.090 -1.166 1.873) 2.461 0.981 ( -0.215 2.248 -0.948) 2.449 1.002 ( 0.937 1.431 -1.635) 2.366 1.086 ( -5.353 -2.240 1.386) 5.966 1.162 ( -2.906 -0.995 -1.066) 3.251 1.241 ( -0.222 -2.860 0.482) 2.909 1.276 ( 0.296 -1.222 -1.007) 1.611 1.327 ( -6.627 -3.166 2.804) 7.862 1.358 ( -3.453 -0.080 0.924) 3.575 1.456 ( -2.346 1.797 4.449) 5.341 1.501 ( -1.908 3.719 -1.197) 4.348 1.526 ( -3.711 4.103 0.796) 5.589 1.618 ( -2.372 -2.877 -5.100) 6.317 1.669 ( -6.549 -0.831 -1.037) 6.682 1.701 ( -5.031 -1.557 -1.520) 5.482 1.790 ( -1.959 0.409 -1.001) 2.238 1.810 ( 2.538 -2.443 0.762) 3.604 1.870 ( -0.526 -0.560 0.400) 0.866 1.934 ( -1.221 -3.581 -2.015) 4.287 2.034 ( 0.446 0.243 2.121) 2.181 2.098 ( -6.260 -1.741 -0.750) 6.541 2.224 ( -11.311 1.625 1.649) 11.545 2.268 ( -8.335 2.910 0.778) 8.862 2.367 ( -6.257 2.427 -1.677) 6.917 2.386 ( 3.420 -4.360 2.441) 6.055 2.596 ( -5.638 2.686 -0.679) 6.282 2.752 ( -5.500 1.514 0.795) 5.760 2.888 ( -4.505 1.654 0.311) 4.809 2.944 ( 0.505 1.365 -0.804) 1.662 2.999 ( 0.425 -0.721 0.562) 1.008 3.098 ( 10.123 1.075 -1.369) 10.272 3.170 ( 4.709 -2.694 1.703) 5.686 3.268 ( 9.980 -3.484 -1.389) 10.661 3.278 ( 2.069 0.830 2.564) 3.398 3.337 ( 3.447 -1.224 -1.993) 4.166 3.482 ( 1.472 0.668 2.633) 3.090 3.573 ( 4.025 0.158 2.441) 4.710 3.619 ( -0.918 0.806 -2.151) 2.474 3.716 ( 5.025 -0.009 -0.313) 5.035 3.761 ( 2.458 -0.040 2.439) 3.463 3.820 ( 1.388 -0.095 -0.458) 1.465 4.019 ( -1.211 0.028 -0.958) 1.544 4.037 ( 2.237 -0.362 -1.532) 2.735 4.399 ( -3.319 2.263 0.199) 4.022 4.641 ( 4.849 -3.344 -1.574) 6.097 4.721 ( -1.964 4.716 -3.389) 6.130 4.746 ( 0.764 2.039 2.664) 3.441 4.982 ( -3.347 -0.395 -0.466) 3.402 5.086 ( 1.594 -0.470 0.244) 1.679 5.436 ( 0.699 1.669 8.864) 9.047 5.509 ( 0.863 2.132 -2.051) 3.082 5.650 ( 0.124 1.250 6.770) 6.885 5.836 ( 2.591 -3.885 -3.404) 5.778 6.128 ( 1.066 1.089 -0.344) 1.562 6.183 ( 4.098 -1.701 -0.081) 4.438 6.707 ( -0.048 -2.636 -1.175) 2.886 6.745 ( 0.998 -1.955 -1.977) 2.954 7.476 ( 2.401 3.908 6.467) 7.928 7.603 ( 1.278 4.403 -2.852) 5.399 7.907 ( 3.876 -4.943 1.150) 6.386 8.089 ( 6.499 -4.611 -4.823) 9.315 8.556 ( -0.354 2.916 1.749) 3.419 8.622 ( 0.765 4.269 -3.616) 5.646 9.173 ( -2.241 -3.394 3.096) 5.111 9.305 ( 1.704 -2.881 -2.198) 4.004 9.942 ( -9.054 1.470 0.864) 9.213 10.051 ( -4.232 -0.919 -1.535) 4.595 10.561 ( -15.918 1.152 0.745) 15.977 10.658 ( -18.753 -1.153 0.053) 18.788 10.997 ( 1.568 0.340 -3.392) 3.752 11.022 ( 2.103 0.368 -2.021) 2.940 11.095 ( 1.088 2.047 1.167) 2.595 11.288 ( -2.231 -2.017 3.277) 4.448 11.644 ( 16.472 1.523 -0.116) 16.543 11.749 ( 13.170 -0.815 -0.445) 13.203 12.935 ( -0.850 -1.049 1.748) 2.209 12.964 ( -0.745 -0.747 -1.480) 1.818 13.430 ( -0.822 2.081 7.745) 8.062 13.509 ( -3.709 0.456 -7.101) 8.024 14.709 ( 1.014 1.240 1.391) 2.121 14.834 ( 3.516 0.539 -3.717) 5.144 14.887 ( -0.752 -2.724 0.090) 2.828 14.950 ( 1.473 -0.581 -0.195) 1.595 15.275 ( 0.543 -1.194 0.169) 1.323 15.308 ( 1.434 -2.218 -0.542) 2.696 15.623 ( -0.080 0.857 0.413) 0.954 15.684 ( 2.279 -1.148 -0.298) 2.569 15.785 ( 3.055 1.689 0.846) 3.592 15.807 ( 3.720 1.072 0.700) 3.935 16.829 ( -1.853 1.904 2.120) 3.399 16.889 ( -2.571 1.232 -2.904) 4.069 16.999 ( -0.527 -1.072 -1.633) 2.023 17.007 ( 0.861 -1.059 2.065) 2.475 17.683 ( -11.628 0.543 3.235) 12.082 17.775 ( -10.470 -1.722 -4.314) 11.454 26.430 ( -1.166 0.438 -0.161) 1.256 26.467 ( -0.809 1.521 -2.190) 2.787 26.494 ( -0.632 -0.498 1.656) 1.841 26.572 ( 0.792 -0.709 -1.941) 2.213 27.051 ( -1.257 2.555 2.133) 3.558 27.100 ( 0.236 3.969 0.280) 3.986 27.424 ( 2.645 -1.354 6.854) 7.470 27.529 ( 2.960 -1.507 -3.670) 4.949 28.304 ( -3.483 2.354 5.497) 6.920 28.537 ( 1.156 -3.919 -2.934) 5.031 28.726 ( 3.119 4.272 -2.392) 5.805 28.914 ( 10.229 -0.979 0.200) 10.278 29.132 ( -2.436 2.170 1.138) 3.455 29.334 ( 4.520 -1.354 -1.090) 4.842 29.575 ( -2.019 0.750 5.441) 5.852 29.926 ( 6.646 -6.136 -6.410) 11.086 ======================= Grid point 99 (54/63) ======================= q-point: (-0.25 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 101 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.693 ( -2.450 1.612 -0.215) 2.941 0.790 ( -1.692 2.861 -0.683) 3.394 0.861 ( -2.524 -0.633 1.312) 2.914 0.877 ( -5.356 -1.103 4.918) 7.355 0.913 ( -7.023 -1.241 -0.210) 7.135 0.990 ( 0.735 0.246 -2.280) 2.408 1.028 ( -3.421 -0.598 -0.247) 3.482 1.091 ( -0.188 1.648 -3.199) 3.603 1.202 ( -3.798 -0.949 2.146) 4.465 1.221 ( -2.108 -0.966 0.472) 2.367 1.246 ( -5.931 0.100 -0.517) 5.955 1.322 ( -7.403 0.135 0.143) 7.406 1.374 ( -1.977 2.432 1.093) 3.319 1.417 ( 0.462 -1.257 0.227) 1.359 1.472 ( -5.386 -1.169 0.920) 5.588 1.542 ( -5.625 1.672 0.233) 5.873 1.563 ( -2.878 -1.570 -2.300) 4.004 1.611 ( -2.921 -0.493 1.131) 3.171 1.652 ( -10.176 -0.220 0.064) 10.178 1.722 ( -12.474 3.865 1.196) 13.114 1.766 ( -10.624 -0.222 -0.411) 10.634 1.883 ( -4.928 -0.151 1.795) 5.247 1.950 ( -5.149 -2.698 0.293) 5.821 1.980 ( -0.377 -0.901 -1.543) 1.826 2.083 ( -1.452 0.922 0.571) 1.812 2.159 ( -6.556 1.656 -1.785) 6.994 2.280 ( -1.250 -1.344 1.025) 2.102 2.412 ( -4.886 -2.400 -1.458) 5.636 2.587 ( 7.124 -0.112 1.080) 7.206 2.691 ( 0.488 1.353 -0.761) 1.627 2.876 ( 2.494 3.706 1.064) 4.592 2.961 ( 0.985 -0.779 -0.625) 1.403 3.026 ( 3.569 0.803 2.852) 4.639 3.200 ( 1.589 -1.160 0.329) 1.994 3.285 ( 4.467 -0.166 -3.727) 5.820 3.328 ( 2.514 1.287 2.693) 3.902 3.417 ( 5.736 -1.301 -0.550) 5.907 3.446 ( 6.179 -2.943 -3.840) 7.847 3.561 ( 5.466 0.549 3.161) 6.339 3.615 ( 0.183 -2.452 2.314) 3.376 3.651 ( 2.532 1.470 2.708) 3.989 3.774 ( -0.355 -0.027 -1.624) 1.663 3.812 ( 3.182 -3.194 0.971) 4.612 3.872 ( 4.115 -1.541 0.305) 4.405 3.965 ( -3.478 -0.879 -1.180) 3.777 4.062 ( -0.371 -2.978 -2.957) 4.213 4.366 ( -0.027 3.307 -0.823) 3.408 4.630 ( -4.214 6.782 -5.582) 9.742 4.712 ( 1.283 -1.656 1.257) 2.443 4.793 ( 3.184 -1.220 -1.826) 3.867 4.930 ( -1.464 0.998 0.855) 1.968 5.108 ( 0.586 -0.732 -0.719) 1.181 5.494 ( 3.312 0.723 11.114) 11.620 5.527 ( 1.224 0.774 -2.057) 2.515 5.710 ( 3.343 0.794 8.026) 8.731 5.862 ( 0.600 -5.549 -2.791) 6.240 6.155 ( 1.964 4.170 -0.461) 4.633 6.296 ( 6.761 0.913 -0.384) 6.833 6.712 ( 0.682 -1.908 -0.949) 2.237 6.764 ( 1.181 -0.901 -0.959) 1.768 7.555 ( 4.030 2.046 6.039) 7.543 7.626 ( 1.266 3.204 3.041) 4.595 8.058 ( 10.810 -3.097 -2.831) 11.596 8.228 ( 8.317 -2.761 -5.564) 10.380 8.548 ( -0.734 1.423 1.124) 1.956 8.636 ( 1.345 2.545 -3.556) 4.575 9.124 ( -3.259 -1.918 1.101) 3.939 9.342 ( 1.953 -2.989 -1.193) 3.765 9.700 ( -14.658 2.345 0.937) 14.874 9.927 ( -7.255 -1.773 -1.372) 7.594 10.229 ( -16.194 0.291 -0.188) 16.197 10.281 ( -17.600 -0.548 -0.182) 17.610 11.003 ( 0.453 1.537 -1.676) 2.319 11.039 ( 0.411 0.328 -0.012) 0.526 11.165 ( 4.457 0.023 -2.483) 5.102 11.272 ( -0.466 -1.750 3.285) 3.752 11.966 ( 15.076 1.886 -0.177) 15.195 12.015 ( 12.931 0.893 0.570) 12.974 12.885 ( -2.275 -0.491 -3.371) 4.096 12.962 ( -1.146 -1.439 2.459) 3.071 13.389 ( -3.888 0.838 0.192) 3.982 13.437 ( -2.809 1.466 1.777) 3.632 14.763 ( 4.365 0.968 0.261) 4.479 14.861 ( 0.613 0.084 -1.929) 2.026 14.932 ( 3.848 -1.616 0.865) 4.262 14.977 ( 1.818 -0.433 -0.242) 1.884 15.301 ( 2.217 -0.210 0.157) 2.233 15.344 ( 2.339 -1.640 -0.128) 2.859 15.628 ( 0.623 0.792 0.334) 1.062 15.726 ( 1.752 -1.798 -0.605) 2.583 15.884 ( 6.779 1.078 -0.028) 6.864 15.922 ( 7.518 0.035 1.454) 7.658 16.791 ( -2.055 1.668 0.818) 2.770 16.826 ( -2.768 1.568 -2.230) 3.885 16.963 ( -2.391 -1.070 -3.884) 4.685 17.008 ( -2.093 -1.753 3.721) 4.615 17.368 ( -19.967 0.305 3.312) 20.242 17.449 ( -21.148 -1.972 -4.691) 21.752 26.405 ( -0.979 0.577 -0.888) 1.442 26.443 ( -1.043 2.107 -1.920) 3.035 26.489 ( -0.105 -0.768 1.526) 1.711 26.576 ( -0.060 -0.798 -1.663) 1.846 27.041 ( -0.070 3.062 2.615) 4.027 27.106 ( 0.370 4.448 0.555) 4.498 27.512 ( 4.605 -2.230 4.683) 6.936 27.596 ( 4.109 -0.586 -2.514) 4.853 28.274 ( 0.312 3.402 6.827) 7.635 28.579 ( 3.129 -5.096 0.279) 5.986 28.794 ( 2.764 6.097 -2.403) 7.112 29.064 ( 3.715 -1.229 -2.987) 4.923 29.097 ( -0.359 0.671 0.679) 1.021 29.312 ( -6.792 -4.580 6.297) 10.333 29.707 ( 13.630 3.167 -1.183) 14.043 30.065 ( 8.316 -5.941 -5.152) 11.445 ======================= Grid point 100 (55/63) ======================= q-point: (-0.12 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.647 ( -6.740 1.767 7.753) 10.424 0.657 ( -7.510 0.594 2.288) 7.873 0.757 ( -3.322 0.740 2.597) 4.281 0.798 ( -2.880 2.046 -5.146) 6.242 0.850 ( -3.094 2.892 -4.642) 6.284 0.919 ( -4.456 0.992 -1.951) 4.964 0.983 ( -5.362 1.493 0.376) 5.579 1.032 ( 1.019 -2.455 -2.376) 3.565 1.111 ( -7.679 1.857 0.332) 7.908 1.155 ( 0.073 1.906 1.030) 2.168 1.212 ( 0.269 -0.054 -0.412) 0.495 1.247 ( -1.550 -1.543 1.719) 2.782 1.281 ( -7.836 -0.756 2.536) 8.271 1.340 ( -4.502 -1.692 -0.441) 4.830 1.395 ( -6.964 5.628 6.797) 11.241 1.445 ( -6.387 0.211 2.998) 7.058 1.479 ( -6.123 -1.071 -0.917) 6.284 1.492 ( -1.684 -2.071 2.474) 3.639 1.527 ( 1.136 0.200 0.685) 1.341 1.591 ( -4.990 1.803 0.294) 5.314 1.625 ( 1.491 2.416 -1.163) 3.069 1.823 ( -2.086 -0.930 -1.194) 2.577 1.873 ( -3.239 -0.183 -1.666) 3.647 1.984 ( -6.435 0.254 -6.311) 9.017 1.986 ( -0.681 -0.888 1.420) 1.808 2.059 ( -2.201 -0.654 -2.372) 3.301 2.284 ( 0.225 -2.292 2.119) 3.130 2.328 ( -2.541 -3.720 -0.807) 4.576 2.716 ( 4.058 -0.765 2.297) 4.725 2.750 ( 4.317 0.354 -1.185) 4.491 2.950 ( 3.473 0.277 0.747) 3.564 3.006 ( 4.068 -1.352 0.449) 4.310 3.149 ( 6.752 2.782 4.081) 8.366 3.203 ( -0.992 0.046 0.205) 1.014 3.307 ( -0.842 1.393 1.792) 2.421 3.383 ( 2.308 0.142 -3.447) 4.151 3.510 ( 2.121 -2.882 -0.355) 3.596 3.529 ( 2.938 0.172 -1.071) 3.132 3.569 ( -1.734 -5.238 -2.633) 6.114 3.682 ( 3.364 -2.208 4.080) 5.731 3.704 ( -1.238 -0.609 2.609) 2.952 3.743 ( 1.546 -1.588 1.445) 2.646 3.868 ( 0.040 1.653 -0.429) 1.708 3.912 ( 0.210 -3.103 -1.121) 3.306 3.935 ( 1.432 -2.960 -0.264) 3.299 4.014 ( -2.566 -3.132 -3.238) 5.184 4.376 ( 0.599 4.152 0.388) 4.213 4.533 ( -4.116 8.545 -5.546) 10.987 4.743 ( 1.636 -1.231 1.783) 2.715 4.843 ( 2.092 -3.676 -3.127) 5.260 4.928 ( 0.691 1.795 2.314) 3.009 5.100 ( -1.175 -0.809 -2.797) 3.140 5.552 ( 1.761 -0.225 -1.093) 2.085 5.596 ( 3.886 -2.460 9.998) 11.005 5.743 ( -1.701 1.693 2.401) 3.395 5.872 ( 1.160 -6.707 -1.207) 6.913 6.225 ( 4.961 4.452 2.607) 7.158 6.411 ( 3.802 2.313 -2.354) 5.034 6.739 ( 2.738 0.138 -1.430) 3.092 6.787 ( 1.014 -0.119 -0.433) 1.109 7.641 ( 3.276 1.628 6.290) 7.277 7.677 ( 3.103 2.039 4.446) 5.793 8.291 ( 12.053 -1.205 -2.627) 12.394 8.392 ( 8.932 -1.031 -5.207) 10.390 8.532 ( -1.100 -0.319 0.444) 1.229 8.654 ( 0.217 -1.140 -3.467) 3.656 9.031 ( -6.048 2.282 -0.324) 6.472 9.289 ( -11.830 4.666 -6.271) 14.179 9.482 ( -1.612 -3.742 6.949) 8.055 9.782 ( -6.599 -4.662 -1.964) 8.315 9.962 ( -9.586 -0.230 -0.195) 9.591 9.995 ( -10.424 -0.772 -0.193) 10.455 11.015 ( 0.937 1.886 -1.014) 2.337 11.041 ( -0.227 0.374 -0.149) 0.463 11.245 ( 3.886 -0.789 -2.820) 4.865 11.268 ( -0.712 -1.027 2.838) 3.101 12.213 ( 8.949 1.947 1.558) 9.290 12.258 ( 10.837 2.691 -1.468) 11.262 12.849 ( -0.715 -0.037 -1.922) 2.051 12.917 ( -3.602 -0.727 0.865) 3.775 13.320 ( -2.080 0.065 -1.116) 2.361 13.379 ( -3.622 0.377 2.334) 4.326 14.874 ( 4.844 -0.360 -0.286) 4.866 14.890 ( 3.747 -0.671 -0.244) 3.815 14.961 ( -0.124 0.606 0.963) 1.145 15.047 ( 3.112 -1.911 -0.219) 3.658 15.374 ( 4.608 0.567 0.475) 4.667 15.405 ( 4.211 0.577 -0.292) 4.260 15.654 ( 2.005 0.513 1.319) 2.455 15.747 ( 0.446 -1.644 -1.051) 2.002 16.042 ( 8.899 0.276 -1.049) 8.965 16.103 ( 9.916 -1.218 2.086) 10.206 16.756 ( -2.421 0.962 -0.363) 2.630 16.783 ( -0.694 0.732 -1.537) 1.838 16.889 ( -4.941 -1.075 -2.760) 5.761 16.912 ( -13.203 -1.702 0.586) 13.326 16.943 ( -20.940 0.241 1.567) 21.000 16.982 ( -16.326 0.005 0.841) 16.348 26.393 ( -0.029 0.866 -1.081) 1.385 26.419 ( -1.015 2.359 -1.568) 3.009 26.499 ( 0.898 -0.801 1.391) 1.839 26.565 ( -0.616 -0.768 -1.531) 1.821 27.059 ( 1.250 3.595 2.771) 4.708 27.115 ( 0.342 5.080 0.328) 5.102 27.595 ( 2.832 -2.916 0.079) 4.066 27.664 ( 2.192 -1.573 -3.107) 4.115 28.395 ( 11.191 3.941 12.163) 16.992 28.646 ( 2.900 -3.045 3.712) 5.609 28.807 ( -0.454 4.316 -3.431) 5.533 29.064 ( -0.570 -0.061 0.196) 0.606 29.116 ( 0.053 -1.664 -4.031) 4.361 29.143 ( -10.361 -4.192 2.589) 11.473 29.990 ( 12.535 1.466 0.820) 12.647 30.210 ( 5.710 -5.145 -3.881) 8.610 ======================= Grid point 101 (56/63) ======================= q-point: ( 0.00 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 101 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.614 ( -1.382 0.859 3.511) 3.870 0.652 ( -2.164 0.783 2.906) 3.707 0.729 ( 2.727 3.976 -3.396) 5.897 0.796 ( 1.105 3.106 -6.841) 7.594 0.884 ( -2.228 -0.692 1.720) 2.898 0.920 ( -1.724 -3.458 -0.908) 3.970 0.968 ( 2.480 3.382 -0.021) 4.193 0.998 ( -0.016 5.372 -2.330) 5.856 1.092 ( -0.068 -2.413 0.946) 2.593 1.094 ( 2.633 -0.840 0.984) 2.933 1.196 ( -1.450 0.745 2.572) 3.045 1.220 ( 1.497 -0.253 1.210) 1.941 1.243 ( -1.563 0.180 1.154) 1.951 1.254 ( 1.128 0.067 -0.742) 1.352 1.316 ( -0.737 -1.854 2.101) 2.897 1.352 ( 2.364 -3.656 -0.721) 4.413 1.460 ( -2.597 2.694 2.673) 4.598 1.485 ( 0.818 -0.570 0.611) 1.169 1.571 ( 0.205 0.937 0.131) 0.968 1.594 ( 0.990 -1.137 -1.528) 2.146 1.702 ( 0.647 3.794 2.726) 4.717 1.751 ( -1.209 -1.607 -2.235) 3.007 1.850 ( -1.190 4.460 4.033) 6.129 1.923 ( -0.432 -0.912 -0.856) 1.323 2.015 ( 0.564 2.026 -1.861) 2.808 2.026 ( -0.405 2.712 -1.295) 3.032 2.189 ( -0.507 -4.560 0.168) 4.591 2.222 ( -0.106 -4.133 -1.872) 4.538 2.760 ( -0.346 1.213 1.832) 2.224 2.786 ( -0.373 -1.183 -0.610) 1.382 2.964 ( 1.432 -0.753 1.371) 2.120 2.987 ( -1.474 -2.552 -0.675) 3.024 3.274 ( 2.951 2.051 2.816) 4.565 3.294 ( 1.321 0.459 3.878) 4.122 3.312 ( -1.544 2.707 0.169) 3.122 3.364 ( -4.506 -1.787 -2.022) 5.252 3.452 ( 1.592 -1.572 0.419) 2.276 3.466 ( 0.986 -3.094 -0.057) 3.248 3.525 ( -2.416 -0.482 0.698) 2.561 3.553 ( -1.721 -3.218 -1.481) 3.938 3.737 ( 1.536 0.587 5.681) 5.914 3.769 ( 1.018 -2.467 3.332) 4.270 3.833 ( -1.707 1.264 -0.461) 2.173 3.873 ( -1.399 -2.430 0.243) 2.815 3.944 ( 2.193 -0.127 -3.215) 3.894 3.951 ( 0.606 -0.985 -1.652) 2.017 4.522 ( 0.373 6.381 2.257) 6.778 4.579 ( -2.479 2.812 -3.244) 4.957 4.733 ( 0.265 -0.188 1.497) 1.531 4.783 ( -0.838 -3.025 -2.871) 4.254 5.004 ( 0.625 2.781 1.666) 3.301 5.059 ( -0.898 -1.467 -3.293) 3.715 5.558 ( 0.364 -0.706 2.754) 2.867 5.580 ( -0.412 -2.168 1.928) 2.930 5.764 ( 0.454 1.070 4.717) 4.858 5.793 ( 0.581 -2.529 2.646) 3.707 6.366 ( 1.105 2.265 -1.390) 2.878 6.407 ( -1.123 -1.605 -4.889) 5.267 6.802 ( 0.273 0.742 -1.654) 1.833 6.812 ( 1.346 -0.253 -2.738) 3.061 7.757 ( 2.455 1.832 3.365) 4.550 7.769 ( 2.293 0.734 2.198) 3.260 8.435 ( -3.261 -0.125 1.649) 3.656 8.454 ( -6.670 -2.316 1.505) 7.220 8.512 ( 2.503 0.871 -2.543) 3.673 8.539 ( 4.002 -1.775 -3.388) 5.536 9.181 ( 4.318 9.805 1.701) 10.848 9.220 ( -7.007 9.225 -2.034) 11.761 9.426 ( 5.697 -6.970 3.414) 9.628 9.486 ( -5.077 -9.691 -2.030) 11.127 9.862 ( 0.054 -0.324 -0.055) 0.333 9.865 ( 0.131 -0.629 -0.324) 0.719 11.048 ( -0.493 0.846 -0.643) 1.172 11.052 ( 0.064 0.459 -1.124) 1.216 11.247 ( -0.604 0.418 1.150) 1.365 11.268 ( 1.056 -1.583 -0.819) 2.071 12.371 ( 0.188 2.694 1.179) 2.947 12.403 ( 0.000 -0.179 -1.802) 1.811 12.850 ( -1.543 0.544 0.724) 1.789 12.860 ( 0.060 -0.378 -0.133) 0.405 13.296 ( -0.703 0.744 0.901) 1.364 13.319 ( 1.459 -1.471 -1.292) 2.442 14.900 ( -0.049 -0.092 0.401) 0.414 14.911 ( 0.129 -1.120 -0.562) 1.260 15.015 ( 1.220 0.202 0.583) 1.367 15.023 ( -0.948 -0.566 -0.053) 1.105 15.458 ( 0.340 1.206 0.193) 1.268 15.472 ( -0.536 -0.140 -1.203) 1.324 15.690 ( 0.296 0.043 0.572) 0.645 15.705 ( -0.639 -1.382 -0.810) 1.724 16.228 ( -1.087 -0.032 0.238) 1.113 16.231 ( 2.773 -0.280 0.045) 2.787 16.599 ( -1.236 0.126 0.412) 1.308 16.601 ( 0.014 -0.106 0.202) 0.228 16.795 ( 0.179 0.384 0.418) 0.595 16.803 ( -0.149 -0.325 -0.211) 0.415 16.852 ( -0.760 0.286 -0.282) 0.860 16.856 ( 2.080 -0.165 -0.647) 2.185 26.426 ( 0.410 1.950 0.670) 2.102 26.442 ( -0.617 1.496 -0.814) 1.812 26.500 ( 0.659 -0.931 0.514) 1.251 26.520 ( -0.648 -1.922 -1.406) 2.468 27.172 ( 0.680 3.955 3.068) 5.051 27.204 ( 0.339 1.689 0.331) 1.754 27.571 ( -1.182 -0.432 -2.245) 2.573 27.606 ( -0.760 -3.173 -5.016) 5.984 28.662 ( 1.846 3.534 9.021) 9.863 28.734 ( 5.404 -3.356 5.445) 8.373 28.839 ( 2.709 0.620 -5.910) 6.531 28.867 ( -5.198 -2.052 -6.813) 8.812 29.055 ( 0.176 -0.009 -0.114) 0.210 29.065 ( -0.278 -1.141 -1.297) 1.750 30.143 ( -1.414 1.067 4.265) 4.618 30.176 ( -1.162 -2.099 1.266) 2.713 ======================= Grid point 102 (57/63) ======================= q-point: ( 0.12 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.622 ( 0.279 0.677 3.866) 3.935 0.644 ( 2.211 -1.643 2.376) 3.638 0.814 ( 4.298 4.328 0.873) 6.162 0.839 ( 2.244 3.328 -1.689) 4.355 0.854 ( 4.438 0.078 -4.493) 6.315 0.935 ( 2.277 -3.644 -0.820) 4.375 1.026 ( 1.387 3.572 0.309) 3.844 1.072 ( 5.289 5.715 -1.663) 7.963 1.106 ( 2.063 -2.954 1.141) 3.779 1.178 ( 4.489 -2.219 0.273) 5.015 1.232 ( -0.037 2.767 0.808) 2.882 1.262 ( -0.511 -0.801 -0.174) 0.966 1.278 ( 6.875 -0.602 -0.989) 6.972 1.332 ( 8.397 -4.528 0.423) 9.549 1.377 ( 4.737 2.791 -0.157) 5.501 1.437 ( 2.393 0.388 1.338) 2.769 1.465 ( 7.644 -2.320 -1.078) 8.060 1.497 ( 3.797 -3.496 -1.042) 5.265 1.600 ( -0.101 1.356 1.468) 2.001 1.604 ( 1.790 0.171 0.819) 1.976 1.728 ( 0.105 0.777 -0.785) 1.110 1.732 ( 2.024 0.554 1.483) 2.570 1.901 ( 5.292 2.906 1.733) 6.281 1.929 ( 1.203 0.155 -0.323) 1.256 2.024 ( 1.457 2.431 0.168) 2.839 2.060 ( 3.370 2.351 -0.803) 4.188 2.224 ( 3.506 -3.348 1.306) 5.021 2.240 ( 2.269 -3.030 -0.322) 3.799 2.718 ( -3.380 1.585 0.791) 3.816 2.743 ( -3.443 -0.813 -0.204) 3.544 2.941 ( -2.301 -0.537 -0.445) 2.405 2.969 ( -1.514 -2.366 1.027) 2.990 3.199 ( -4.479 1.001 0.264) 4.597 3.225 ( -6.152 -0.830 0.359) 6.218 3.318 ( -1.970 3.632 1.742) 4.484 3.365 ( -0.253 -0.408 2.609) 2.653 3.423 ( -3.823 -1.140 1.729) 4.348 3.455 ( -2.116 -4.052 0.204) 4.576 3.532 ( 2.970 1.422 0.484) 3.328 3.586 ( 3.103 -3.474 2.041) 5.085 3.739 ( -1.024 1.218 1.974) 2.535 3.774 ( -1.697 -2.447 -0.738) 3.068 3.803 ( -2.005 1.323 2.362) 3.369 3.836 ( -1.320 -2.108 2.606) 3.602 3.960 ( 1.092 -0.493 -2.177) 2.485 3.976 ( 1.156 -1.635 -4.134) 4.593 4.507 ( -1.875 7.169 0.648) 7.439 4.567 ( 1.220 2.570 1.440) 3.189 4.722 ( -1.777 -0.283 1.162) 2.142 4.762 ( -0.234 -2.865 -1.316) 3.161 5.007 ( -0.531 -0.243 1.726) 1.822 5.020 ( -2.245 -0.198 -2.192) 3.144 5.549 ( -0.908 1.898 2.027) 2.922 5.589 ( 0.315 -2.797 2.097) 3.510 5.780 ( -0.076 0.235 4.112) 4.119 5.804 ( 0.399 -2.158 0.234) 2.207 6.337 ( -3.876 1.586 -3.321) 5.344 6.364 ( -2.241 -0.822 -1.884) 3.041 6.775 ( -2.107 1.383 -2.928) 3.863 6.802 ( -1.584 -1.274 -3.252) 3.835 7.767 ( -1.823 2.035 0.300) 2.748 7.780 ( -1.205 0.756 -1.256) 1.898 8.221 ( -13.178 1.513 2.425) 13.484 8.278 ( -10.930 -3.515 0.497) 11.492 8.574 ( 2.720 1.556 -1.624) 3.529 8.602 ( 1.721 -0.939 -0.649) 2.065 9.154 ( -0.080 7.311 -0.211) 7.315 9.253 ( 0.670 0.149 3.317) 3.387 9.518 ( 9.258 -0.910 -2.222) 9.564 9.598 ( 10.135 -6.243 3.071) 12.293 9.964 ( 10.286 0.417 -0.252) 10.297 9.979 ( 10.721 -0.956 -0.326) 10.768 11.028 ( -1.435 0.992 -0.012) 1.745 11.041 ( -1.114 -0.288 -0.300) 1.189 11.227 ( -1.371 2.020 0.300) 2.460 11.275 ( 0.050 -2.645 -1.073) 2.855 12.265 ( -10.401 2.116 0.763) 10.641 12.284 ( -10.476 0.349 -0.823) 10.514 12.827 ( -0.491 1.379 1.256) 1.929 12.869 ( 0.542 -2.758 1.133) 3.030 13.340 ( 4.694 3.754 0.108) 6.012 13.408 ( 6.212 -2.888 -1.654) 7.047 14.869 ( -2.312 0.388 -0.118) 2.347 14.882 ( -3.040 -0.796 -0.538) 3.188 14.987 ( -1.771 0.670 -0.217) 1.906 15.008 ( -2.687 -1.203 0.304) 2.960 15.397 ( -4.566 0.711 -0.433) 4.642 15.407 ( -4.574 -0.205 -0.279) 4.587 15.677 ( -1.687 0.018 -0.392) 1.732 15.689 ( -0.850 -1.130 0.751) 1.601 16.059 ( -9.357 1.617 -0.182) 9.497 16.097 ( -9.504 -2.305 -0.738) 9.807 16.761 ( 3.339 0.377 0.865) 3.470 16.763 ( 2.400 0.120 0.640) 2.487 16.859 ( 6.275 1.391 0.359) 6.437 16.889 ( 11.709 -1.488 -0.227) 11.805 16.981 ( 16.402 1.000 -1.177) 16.475 17.009 ( 16.862 -1.850 -2.219) 17.108 26.428 ( -0.165 2.260 -0.224) 2.277 26.441 ( 0.549 1.392 0.284) 1.523 26.504 ( -0.275 -1.226 -0.968) 1.587 26.515 ( 0.279 -1.825 0.288) 1.868 27.176 ( -0.615 3.703 1.566) 4.067 27.199 ( -0.718 2.297 -0.609) 2.483 27.520 ( -3.214 0.051 0.850) 3.325 27.572 ( -2.006 -4.333 -2.425) 5.356 28.599 ( -5.818 2.009 2.763) 6.747 28.628 ( -7.893 -0.826 -3.362) 8.619 28.892 ( 3.146 3.940 -2.632) 5.688 28.983 ( 2.695 -4.592 0.040) 5.324 29.085 ( 2.838 0.517 -0.836) 3.003 29.128 ( 8.844 -4.324 -3.145) 10.335 29.997 ( -12.265 3.651 4.638) 13.612 30.070 ( -9.541 -3.287 3.520) 10.687 ======================= Grid point 103 (58/63) ======================= q-point: ( 0.25 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 101 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.657 ( 2.711 1.839 3.536) 4.820 0.707 ( 2.929 -2.828 2.914) 5.007 0.881 ( 4.013 2.123 0.157) 4.543 0.914 ( 1.255 -1.114 -0.175) 1.687 0.956 ( 5.092 0.992 -1.277) 5.342 0.995 ( 3.049 -1.556 0.231) 3.430 1.057 ( 4.528 3.323 -3.234) 6.481 1.109 ( 0.455 2.614 2.185) 3.437 1.171 ( 1.056 -0.968 -1.291) 1.928 1.234 ( 2.963 -0.301 -0.769) 3.076 1.238 ( -0.934 -0.146 0.114) 0.952 1.288 ( -1.076 -2.839 0.564) 3.088 1.390 ( 11.413 1.334 0.213) 11.493 1.414 ( 2.218 -0.845 2.253) 3.273 1.505 ( 6.658 3.097 -1.418) 7.479 1.537 ( -0.433 2.176 2.825) 3.592 1.594 ( 6.606 -3.177 1.047) 7.405 1.610 ( 3.788 -1.636 -5.518) 6.890 1.649 ( 6.161 -1.816 -1.586) 6.616 1.671 ( 6.020 -3.139 -0.933) 6.853 1.778 ( 5.885 3.065 0.907) 6.697 1.854 ( 6.791 -3.967 0.549) 7.884 1.962 ( 2.451 0.887 -0.087) 2.608 1.977 ( 3.235 -0.407 -1.938) 3.793 2.138 ( 7.339 2.949 1.960) 8.149 2.142 ( 7.108 2.271 2.943) 8.022 2.307 ( 3.283 -0.360 -1.058) 3.468 2.313 ( 4.310 -1.424 1.829) 4.894 2.640 ( -3.572 2.957 -1.725) 4.947 2.689 ( -0.443 -0.467 0.020) 0.644 2.916 ( -0.249 -0.404 0.015) 0.475 2.932 ( -0.927 -0.997 0.162) 1.370 3.111 ( -4.394 1.376 -0.204) 4.609 3.139 ( -2.295 -1.650 1.713) 3.305 3.251 ( -5.583 3.567 2.281) 7.007 3.298 ( -6.252 -1.865 3.259) 7.293 3.344 ( -4.252 0.298 2.291) 4.839 3.388 ( -3.786 -2.677 -0.117) 4.638 3.571 ( -2.446 -0.757 0.797) 2.681 3.588 ( -2.373 -1.119 0.373) 2.650 3.722 ( -1.990 2.548 1.694) 3.649 3.749 ( 1.335 -0.774 0.182) 1.553 3.782 ( 0.674 0.418 1.758) 1.928 3.823 ( -1.258 -3.118 0.628) 3.421 3.978 ( 0.502 -0.801 -0.972) 1.355 3.982 ( 0.586 -1.035 -2.751) 2.997 4.472 ( -1.550 7.477 0.345) 7.643 4.583 ( -0.761 -2.515 1.187) 2.883 4.699 ( 0.211 3.719 2.200) 4.326 4.775 ( 1.578 -2.756 -0.218) 3.183 4.976 ( -1.375 0.711 -0.546) 1.641 5.003 ( -0.133 -2.663 2.204) 3.459 5.536 ( -1.058 3.852 2.688) 4.815 5.588 ( -0.664 -2.399 1.058) 2.705 5.766 ( -1.760 0.356 2.431) 3.023 5.808 ( -0.189 -2.931 -0.647) 3.007 6.232 ( -5.631 2.945 -3.121) 7.079 6.281 ( -5.677 -1.479 -2.050) 6.214 6.727 ( -1.711 0.623 -3.531) 3.973 6.755 ( -2.195 -1.872 -3.245) 4.342 7.698 ( -4.516 3.855 1.542) 6.135 7.742 ( -1.890 0.150 -1.381) 2.345 7.983 ( -10.265 1.123 0.043) 10.326 8.059 ( -10.083 -5.000 -0.362) 11.261 8.614 ( 1.306 1.835 -0.031) 2.252 8.629 ( 1.695 0.765 -0.883) 2.059 9.167 ( 0.577 3.474 0.180) 3.526 9.249 ( -0.749 -3.804 0.382) 3.895 9.752 ( 12.305 1.823 0.133) 12.440 9.813 ( 10.174 -3.591 2.988) 11.196 10.248 ( 17.429 0.958 -0.464) 17.462 10.267 ( 17.472 -0.751 -0.198) 17.489 10.993 ( -2.016 0.603 0.799) 2.251 11.006 ( -2.314 -0.766 1.000) 2.635 11.204 ( -0.613 3.448 -0.998) 3.641 11.273 ( 0.206 -3.358 -1.577) 3.716 12.001 ( -15.400 1.965 0.359) 15.529 12.025 ( -14.865 -0.410 0.121) 14.871 12.835 ( 0.925 1.768 2.324) 3.064 12.891 ( 1.407 -3.917 2.093) 4.658 13.440 ( 4.458 5.058 -0.829) 6.793 13.519 ( 4.779 -2.866 -3.383) 6.519 14.808 ( -3.039 1.579 -1.029) 3.576 14.837 ( -1.075 -0.888 -0.039) 1.395 14.922 ( -5.139 0.401 0.080) 5.156 14.950 ( -1.921 -2.007 -0.392) 2.806 15.318 ( -2.993 0.149 -1.040) 3.172 15.326 ( -3.154 -0.697 -0.615) 3.288 15.643 ( -1.330 0.613 0.086) 1.467 15.666 ( -1.421 -1.670 0.956) 2.392 15.911 ( -5.734 1.359 0.091) 5.893 15.933 ( -6.741 -0.868 -0.207) 6.800 16.800 ( 2.104 0.912 1.668) 2.835 16.813 ( 2.452 -0.268 1.891) 3.108 16.945 ( 2.894 3.317 -0.923) 4.498 17.015 ( 3.328 -3.473 -1.996) 5.208 17.388 ( 20.001 1.131 0.396) 20.037 17.419 ( 19.983 -2.005 -2.391) 20.225 26.434 ( 0.823 2.282 -0.163) 2.431 26.456 ( 0.941 0.821 0.088) 1.252 26.502 ( 0.363 -0.863 -1.235) 1.550 26.519 ( -0.066 -1.714 0.821) 1.901 27.161 ( -0.798 3.402 0.060) 3.495 27.179 ( -1.047 2.295 -0.346) 2.546 27.457 ( -3.322 0.374 2.771) 4.343 27.518 ( -2.960 -4.903 -1.146) 5.841 28.491 ( -3.791 1.363 -4.728) 6.212 28.505 ( -4.291 0.060 0.980) 4.402 28.890 ( -3.135 4.691 -0.388) 5.655 28.972 ( -3.122 -3.342 1.207) 4.730 29.158 ( 4.060 3.503 -1.849) 5.672 29.276 ( 4.534 -8.237 -3.496) 10.031 29.755 ( -10.328 5.417 2.896) 12.017 29.861 ( -10.579 -4.892 4.199) 12.389 ======================= Grid point 104 (59/63) ======================= q-point: ( 0.38 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.730 ( 3.655 1.963 2.941) 5.086 0.769 ( 2.730 -1.625 2.310) 3.928 0.901 ( -1.682 0.566 -0.049) 1.776 0.918 ( -0.918 -0.929 -1.366) 1.890 1.022 ( 2.026 2.558 0.932) 3.393 1.056 ( 2.463 1.977 0.390) 3.183 1.086 ( -0.311 0.529 0.046) 0.615 1.165 ( 3.804 -0.117 -3.391) 5.098 1.189 ( -1.170 -2.687 -0.676) 3.008 1.221 ( -1.837 0.960 0.662) 2.176 1.298 ( 6.062 -3.721 1.481) 7.266 1.317 ( 5.200 -3.975 -0.982) 6.618 1.487 ( 2.126 3.913 4.056) 6.023 1.519 ( -1.143 0.290 2.993) 3.217 1.554 ( 3.878 2.564 -0.888) 4.733 1.634 ( 2.799 1.812 -3.283) 4.680 1.647 ( 4.961 -2.992 1.286) 5.934 1.694 ( 8.057 0.263 -1.346) 8.173 1.759 ( 0.499 -1.834 -1.452) 2.392 1.783 ( 1.676 -0.570 -1.172) 2.123 1.841 ( -0.984 0.406 -0.005) 1.065 1.882 ( 3.783 -2.925 -0.694) 4.831 2.050 ( 1.872 0.202 0.368) 1.918 2.067 ( 3.564 -1.148 0.450) 3.772 2.269 ( 4.556 2.054 2.010) 5.387 2.304 ( -0.529 -1.169 1.812) 2.220 2.370 ( 9.904 0.815 -1.274) 10.019 2.380 ( 6.483 -1.149 -3.341) 7.383 2.653 ( 4.827 4.828 0.167) 6.829 2.738 ( 3.409 -2.632 0.632) 4.353 2.922 ( 1.393 1.666 -0.849) 2.332 2.953 ( 1.760 -1.109 0.526) 2.145 3.036 ( -3.916 3.289 -0.446) 5.133 3.101 ( -3.107 -0.716 3.445) 4.694 3.110 ( -6.988 0.049 0.515) 7.007 3.163 ( -6.295 -3.650 1.692) 7.471 3.272 ( -2.951 1.638 0.740) 3.455 3.315 ( -3.488 -1.489 0.578) 3.836 3.510 ( -1.253 0.895 1.145) 1.919 3.539 ( -2.371 -1.308 1.206) 2.964 3.667 ( -3.400 2.637 0.635) 4.349 3.705 ( -4.395 -0.885 1.324) 4.675 3.816 ( -0.075 0.589 -2.206) 2.284 3.831 ( 1.141 -0.600 -1.635) 2.082 3.991 ( 1.496 -0.240 1.736) 2.305 3.993 ( 1.114 -0.460 0.701) 1.394 4.461 ( 0.564 4.707 0.807) 4.809 4.549 ( -2.124 -3.503 0.036) 4.097 4.732 ( 1.793 4.914 2.855) 5.959 4.807 ( 1.192 -1.825 -0.626) 2.268 4.974 ( 1.229 0.747 0.975) 1.738 5.012 ( 0.604 -2.875 1.405) 3.257 5.511 ( -1.979 3.892 3.321) 5.485 5.564 ( -2.020 -1.988 0.340) 2.854 5.733 ( -1.582 1.749 2.266) 3.270 5.791 ( -1.263 -2.780 -1.024) 3.221 6.124 ( -4.023 1.355 -2.155) 4.760 6.159 ( -5.173 -1.660 -2.738) 6.083 6.696 ( -0.839 -0.767 -3.480) 3.661 6.709 ( -1.748 -1.880 -3.092) 4.019 7.617 ( -3.906 6.561 5.350) 9.324 7.708 ( -1.285 0.657 -1.493) 2.076 7.830 ( -5.104 -1.781 0.138) 5.407 7.905 ( -4.486 -5.829 -3.682) 8.226 8.632 ( 0.533 3.332 1.528) 3.704 8.664 ( 1.762 0.761 -1.886) 2.691 9.166 ( -0.695 1.445 1.322) 2.078 9.233 ( -0.657 -4.211 -2.703) 5.047 9.963 ( 8.105 0.797 0.947) 8.199 9.988 ( 6.398 -1.450 2.173) 6.911 10.612 ( 17.931 1.437 -1.084) 18.022 10.636 ( 18.278 -0.900 -0.061) 18.300 10.947 ( -3.148 0.454 1.499) 3.516 10.961 ( -2.445 -1.057 1.679) 3.149 11.210 ( 2.022 4.173 -1.811) 4.978 11.287 ( 1.701 -3.332 -1.501) 4.031 11.677 ( -16.374 1.787 -0.028) 16.472 11.712 ( -16.016 -1.498 0.493) 16.093 12.869 ( 1.839 1.944 3.548) 4.444 12.927 ( 1.524 -3.884 2.320) 4.774 13.497 ( 1.454 5.016 -1.356) 5.396 13.573 ( 1.377 -2.647 -5.029) 5.847 14.763 ( -1.436 1.825 -0.107) 2.325 14.810 ( -2.804 -2.436 -0.112) 3.716 14.855 ( 0.043 2.380 -0.518) 2.436 14.915 ( -1.322 -3.100 -1.122) 3.552 15.274 ( -1.398 -0.495 -0.975) 1.775 15.276 ( -1.826 -0.756 -0.530) 2.046 15.630 ( -0.011 0.394 0.544) 0.672 15.645 ( -0.741 -1.048 0.894) 1.564 15.824 ( -3.102 1.021 0.144) 3.269 15.829 ( -3.733 0.502 0.326) 3.781 16.848 ( 2.068 1.100 2.677) 3.557 16.866 ( 2.403 -0.609 2.656) 3.633 16.976 ( 0.632 3.133 -1.739) 3.638 17.039 ( -0.224 -2.915 -2.754) 4.016 17.706 ( 11.137 0.991 0.884) 11.216 17.733 ( 11.331 -1.627 -2.002) 11.621 26.455 ( 0.971 2.050 0.794) 2.403 26.477 ( 1.144 0.641 -0.619) 1.450 26.510 ( 0.014 -1.104 0.059) 1.105 26.518 ( 0.456 -1.141 -1.064) 1.626 27.150 ( -0.474 2.734 0.651) 2.850 27.161 ( -0.579 2.360 -0.343) 2.454 27.402 ( -2.592 0.469 3.187) 4.134 27.459 ( -2.378 -4.459 -1.584) 5.297 28.450 ( -1.571 1.084 2.154) 2.878 28.458 ( 1.074 0.273 -3.488) 3.660 28.788 ( -5.662 3.775 -0.647) 6.836 28.861 ( -7.504 -3.385 0.391) 8.241 29.226 ( 3.065 3.547 -1.686) 4.982 29.288 ( -1.833 -1.789 0.314) 2.581 29.656 ( -0.464 -0.403 -1.399) 1.528 29.701 ( -5.952 -4.092 3.378) 7.974 ======================= Grid point 105 (60/63) ======================= q-point: (-0.50 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 101 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.801 ( 2.306 0.909 1.948) 3.152 0.816 ( 1.148 -0.625 0.884) 1.578 0.871 ( -0.707 0.728 -0.031) 1.016 0.878 ( -1.590 -0.115 -0.880) 1.821 1.040 ( -0.022 3.064 0.496) 3.104 1.064 ( 0.344 4.069 -1.551) 4.368 1.119 ( 0.799 -4.054 1.474) 4.387 1.148 ( -1.379 -3.907 -1.037) 4.271 1.184 ( -1.688 1.167 0.999) 2.282 1.211 ( 0.919 -0.301 -1.136) 1.492 1.390 ( 0.449 -0.903 2.378) 2.583 1.433 ( -0.434 -3.707 -0.800) 3.817 1.477 ( 0.337 0.591 1.864) 1.984 1.501 ( 1.012 -0.534 0.869) 1.437 1.599 ( 0.586 1.533 -0.712) 1.789 1.639 ( -1.247 -1.066 -2.594) 3.069 1.699 ( -0.129 1.247 -0.303) 1.290 1.724 ( -1.779 -0.845 -1.911) 2.744 1.791 ( 2.952 3.409 2.706) 5.259 1.830 ( 0.626 2.013 -0.157) 2.114 1.868 ( 0.813 -0.351 1.195) 1.487 1.923 ( -0.517 -2.998 -2.840) 4.161 2.037 ( -0.409 -1.625 0.206) 1.688 2.040 ( -0.509 -1.476 -0.094) 1.564 2.308 ( -1.867 0.289 1.995) 2.748 2.322 ( -0.884 -1.034 1.056) 1.722 2.491 ( 0.770 1.092 -1.723) 2.181 2.495 ( 0.585 0.608 -2.138) 2.298 2.741 ( -0.456 0.914 1.717) 1.998 2.761 ( 1.730 -0.681 0.159) 1.866 2.953 ( -2.732 1.761 -0.215) 3.258 2.964 ( 2.510 0.765 -1.563) 3.055 3.003 ( 1.798 0.413 1.231) 2.218 3.024 ( 1.382 -1.010 -0.748) 1.868 3.046 ( -1.479 -0.000 2.075) 2.549 3.084 ( -1.902 -3.286 -1.866) 4.231 3.258 ( 1.272 1.091 2.590) 3.085 3.274 ( -0.431 -0.529 1.499) 1.647 3.492 ( -0.832 0.894 1.122) 1.658 3.511 ( -0.006 -1.014 -0.376) 1.082 3.653 ( 1.190 1.327 1.909) 2.612 3.662 ( 0.144 0.512 1.143) 1.261 3.793 ( -0.387 0.609 -1.222) 1.419 3.795 ( -2.799 0.516 -1.574) 3.252 4.026 ( 1.037 0.598 1.007) 1.564 4.032 ( 1.292 0.158 0.512) 1.399 4.483 ( 0.105 1.627 1.741) 2.385 4.522 ( 0.646 -1.894 -1.809) 2.698 4.767 ( 1.279 3.945 2.539) 4.862 4.816 ( 0.084 0.149 -1.718) 1.726 5.007 ( 0.573 -0.498 0.949) 1.215 5.027 ( 1.134 -1.563 -0.738) 2.067 5.480 ( -1.608 2.797 5.006) 5.956 5.523 ( -1.609 -1.345 1.684) 2.690 5.713 ( -1.399 2.836 3.535) 4.744 5.766 ( -0.542 -1.741 -0.810) 1.995 6.086 ( 0.766 -1.156 -1.976) 2.414 6.096 ( -0.026 -1.609 -2.712) 3.154 6.676 ( -0.631 -1.119 -2.320) 2.652 6.684 ( 0.111 -1.902 -3.083) 3.624 7.572 ( -1.648 7.080 6.740) 9.913 7.684 ( -1.212 0.313 0.326) 1.294 7.779 ( 0.350 -1.204 -0.566) 1.375 7.878 ( 2.516 -6.686 -5.961) 9.304 8.640 ( -0.065 4.156 1.750) 4.510 8.684 ( 0.523 0.751 -2.402) 2.570 9.152 ( -0.939 0.621 2.849) 3.063 9.217 ( -0.209 -4.655 -3.386) 5.760 10.054 ( 0.133 0.515 1.159) 1.275 10.064 ( 1.202 -0.646 0.084) 1.367 10.839 ( -6.834 1.887 2.633) 7.563 10.877 ( -4.780 -1.879 2.050) 5.530 10.905 ( 8.361 1.328 -3.371) 9.112 10.934 ( 7.096 -1.399 -3.074) 7.859 11.267 ( -7.514 2.791 2.491) 8.394 11.293 ( 1.660 0.866 0.489) 1.935 11.457 ( -2.032 -0.081 0.406) 2.074 11.491 ( 4.088 -2.806 -2.432) 5.523 12.912 ( 1.468 1.218 3.639) 4.108 12.949 ( 0.225 -2.543 0.739) 2.658 13.501 ( -0.688 3.901 0.294) 3.972 13.560 ( -1.486 -2.031 -4.824) 5.441 14.742 ( -0.918 1.781 1.714) 2.637 14.776 ( 0.132 -1.270 -0.897) 1.560 14.875 ( 0.920 0.063 -0.787) 1.212 14.899 ( 0.308 -1.941 -2.381) 3.087 15.252 ( -0.489 -0.533 -0.010) 0.723 15.258 ( -0.062 -1.049 -0.509) 1.168 15.638 ( 0.017 0.120 0.576) 0.589 15.642 ( 0.635 -0.295 0.206) 0.730 15.787 ( -0.414 1.004 0.658) 1.269 15.791 ( -0.074 0.684 0.325) 0.761 16.882 ( 0.612 1.798 3.035) 3.580 16.913 ( 1.567 -1.119 2.147) 2.884 16.973 ( -0.331 1.791 -1.559) 2.397 17.012 ( -1.516 -1.779 -3.088) 3.873 17.818 ( -0.249 1.174 0.969) 1.542 17.847 ( 0.273 -1.684 -1.776) 2.463 26.463 ( -0.496 1.299 1.416) 1.984 26.486 ( -0.770 -0.832 1.167) 1.627 26.508 ( 0.632 1.210 -1.765) 2.231 26.535 ( 1.187 -1.278 -2.347) 2.924 27.135 ( -1.218 2.911 1.984) 3.728 27.157 ( -0.036 1.534 0.042) 1.535 27.379 ( 0.087 0.919 2.762) 2.912 27.436 ( 0.767 -3.896 -2.442) 4.662 28.423 ( -2.635 3.220 4.146) 5.874 28.482 ( -0.064 -2.461 -0.944) 2.637 28.738 ( 1.639 0.850 -0.984) 2.092 28.752 ( 0.070 -0.395 -2.164) 2.201 29.244 ( -2.495 2.894 1.645) 4.160 29.272 ( 1.531 0.541 -0.948) 1.880 29.622 ( -2.121 0.245 2.816) 3.534 29.692 ( 3.379 -6.101 -3.621) 7.858 ======================= Grid point 106 (61/63) ======================= q-point: (-0.38 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.786 ( -2.290 1.760 -1.691) 3.347 0.820 ( -0.993 -1.580 -1.839) 2.620 0.875 ( 0.325 0.204 1.933) 1.970 0.882 ( 0.416 -0.299 1.817) 1.887 1.038 ( -0.733 3.107 -0.101) 3.194 1.057 ( -1.221 4.334 -0.873) 4.587 1.093 ( -3.976 1.037 2.740) 4.939 1.121 ( -0.171 -1.343 -2.466) 2.814 1.172 ( 0.187 -3.397 0.992) 3.544 1.225 ( -0.380 -5.191 0.536) 5.232 1.300 ( -4.991 1.760 -1.009) 5.388 1.343 ( -4.608 -1.904 -0.630) 5.025 1.476 ( -2.714 1.111 3.374) 4.470 1.516 ( -1.883 -1.867 3.471) 4.368 1.585 ( -2.928 1.749 -1.932) 3.920 1.614 ( -2.546 0.216 -3.787) 4.569 1.669 ( -3.169 0.730 -0.255) 3.262 1.707 ( -7.799 4.224 -0.846) 8.910 1.732 ( 0.031 -4.286 0.873) 4.374 1.781 ( -3.540 -2.109 -0.398) 4.140 1.859 ( -0.939 0.416 -1.867) 2.131 1.885 ( -1.739 -1.888 -1.817) 3.145 2.050 ( -0.129 1.386 0.531) 1.490 2.078 ( -4.775 -0.874 -0.420) 4.872 2.233 ( -2.225 0.380 4.234) 4.799 2.273 ( 0.729 -4.045 3.645) 5.494 2.365 ( -11.528 4.237 -1.880) 12.425 2.410 ( -6.428 0.089 -2.904) 7.054 2.661 ( -5.753 4.027 -0.358) 7.031 2.740 ( -3.973 -2.951 0.486) 4.973 2.916 ( -1.220 2.043 -0.475) 2.427 2.963 ( -1.357 -1.476 -0.572) 2.085 3.024 ( 1.580 3.565 1.184) 4.076 3.101 ( 3.040 -3.099 0.945) 4.443 3.133 ( 9.114 1.589 -0.014) 9.251 3.185 ( 9.863 -3.617 -0.484) 10.517 3.301 ( 3.137 0.624 -0.519) 3.241 3.313 ( 3.200 -0.632 1.137) 3.454 3.504 ( 1.584 1.641 1.288) 2.619 3.547 ( 2.487 -2.342 0.597) 3.468 3.661 ( 0.973 2.596 0.993) 2.945 3.702 ( 3.254 -1.421 1.208) 3.751 3.770 ( -0.148 1.317 1.654) 2.120 3.804 ( 0.093 -1.562 0.596) 1.674 4.020 ( -2.105 0.122 -1.515) 2.596 4.027 ( -0.645 -0.527 -1.367) 1.601 4.471 ( -0.355 4.506 -0.084) 4.520 4.562 ( 2.593 -4.402 -1.168) 5.240 4.792 ( 0.693 2.536 1.024) 2.822 4.806 ( -0.697 2.014 -3.451) 4.056 4.992 ( -1.284 1.880 -0.688) 2.378 5.050 ( 1.077 -3.013 -1.843) 3.692 5.476 ( 0.159 2.264 7.902) 8.221 5.519 ( 0.526 -1.519 3.704) 4.038 5.695 ( -0.590 3.503 4.735) 5.920 5.767 ( 0.280 -3.252 0.328) 3.281 6.139 ( 4.728 0.280 -3.094) 5.658 6.153 ( 5.597 -1.133 -2.151) 6.102 6.674 ( 0.775 -0.328 -1.563) 1.775 6.696 ( 1.474 -2.303 -1.992) 3.383 7.573 ( 0.409 5.442 6.538) 8.516 7.659 ( -1.348 -1.333 4.012) 4.437 7.855 ( 7.548 2.301 -4.178) 8.929 7.968 ( 7.362 -6.981 -5.726) 11.650 8.631 ( -1.248 3.859 1.161) 4.219 8.676 ( -0.768 0.190 -2.555) 2.675 9.142 ( -0.588 1.353 3.178) 3.504 9.219 ( 0.931 -5.185 -1.328) 5.433 9.981 ( -7.280 2.245 -0.417) 7.630 10.023 ( -5.202 -1.854 -0.884) 5.593 10.592 ( -16.723 1.798 0.716) 16.835 10.628 ( -17.596 -1.769 0.476) 17.691 11.007 ( 2.288 0.692 -3.785) 4.477 11.020 ( 2.579 -0.478 -3.923) 4.719 11.154 ( -1.531 3.718 3.244) 5.167 11.230 ( -2.460 -3.639 3.637) 5.703 11.684 ( 16.477 2.225 -0.501) 16.634 11.724 ( 15.093 -1.720 -0.587) 15.202 12.926 ( -1.048 0.190 0.431) 1.149 12.941 ( -0.532 -1.227 -0.180) 1.349 13.477 ( -2.045 2.243 2.660) 4.035 13.508 ( -2.762 -0.773 -2.231) 3.634 14.745 ( 1.156 2.391 1.076) 2.866 14.802 ( 1.997 -3.178 0.657) 3.811 14.881 ( 0.955 1.744 -2.595) 3.269 14.921 ( 1.780 -2.017 -1.538) 3.099 15.258 ( 1.119 -0.198 0.355) 1.190 15.270 ( 1.375 -1.335 0.021) 1.916 15.639 ( 0.213 0.832 -0.158) 0.873 15.659 ( 1.074 -1.244 -0.363) 1.683 15.816 ( 3.018 1.171 0.838) 3.344 15.824 ( 3.258 0.359 0.697) 3.351 16.877 ( -1.520 2.620 1.623) 3.436 16.910 ( -1.932 0.134 -1.875) 2.696 16.973 ( -0.267 -0.861 1.564) 1.805 16.983 ( -0.607 -1.274 -1.639) 2.163 17.701 ( -11.493 1.326 1.008) 11.614 17.735 ( -11.139 -2.026 -1.829) 11.468 26.445 ( -1.265 1.004 0.776) 1.792 26.466 ( -1.173 -1.046 1.412) 2.113 26.513 ( 0.069 1.932 -2.129) 2.876 26.549 ( 0.535 -1.546 -2.114) 2.673 27.117 ( -0.845 3.473 2.615) 4.428 27.156 ( -0.044 0.455 1.088) 1.180 27.419 ( 3.333 1.670 1.331) 3.958 27.479 ( 3.752 -3.382 -3.050) 5.901 28.368 ( -2.684 3.972 4.358) 6.478 28.453 ( -1.168 -4.413 1.389) 4.772 28.814 ( 6.493 4.228 -2.421) 8.117 28.882 ( 8.906 -2.437 -1.431) 9.344 29.190 ( -3.156 3.719 1.438) 5.085 29.274 ( -1.725 -4.273 1.204) 4.762 29.637 ( 4.032 5.537 0.428) 6.862 29.778 ( 6.071 -7.993 -3.179) 10.528 ======================= Grid point 107 (62/63) ======================= q-point: (-0.25 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 101 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.729 ( -3.065 1.729 -2.417) 4.269 0.771 ( -3.534 -2.810 -1.454) 4.744 0.864 ( -1.883 0.802 1.526) 2.553 0.871 ( -1.999 0.247 1.218) 2.354 0.957 ( -7.316 2.655 -0.282) 7.788 0.994 ( -5.606 -1.245 -0.408) 5.757 1.028 ( -0.871 3.395 -0.125) 3.507 1.123 ( 0.907 -3.346 1.171) 3.660 1.175 ( 1.769 2.733 -1.677) 3.662 1.221 ( 0.358 -0.052 2.366) 2.393 1.244 ( -4.285 0.902 -1.089) 4.512 1.308 ( 1.095 -2.802 -1.746) 3.478 1.396 ( -8.485 0.310 0.472) 8.504 1.425 ( -8.575 0.066 2.834) 9.031 1.448 ( -6.341 0.986 1.133) 6.516 1.505 ( -4.360 -2.963 1.667) 5.529 1.550 ( -6.588 0.258 1.947) 6.874 1.596 ( -10.459 -3.884 0.862) 11.191 1.658 ( 0.361 3.600 -3.222) 4.845 1.723 ( -3.607 -2.670 -3.179) 5.500 1.806 ( -6.054 2.871 -1.801) 6.938 1.858 ( -3.645 -2.283 -0.090) 4.302 1.952 ( -4.948 1.821 0.627) 5.310 1.972 ( -2.855 -0.301 -0.984) 3.035 2.137 ( -8.381 3.986 0.687) 9.306 2.183 ( -6.669 -0.138 0.621) 6.699 2.272 ( -1.186 1.374 2.080) 2.760 2.342 ( -2.882 -4.424 -0.747) 5.332 2.617 ( 3.243 3.595 0.190) 4.845 2.693 ( 0.677 -2.345 -0.336) 2.464 2.915 ( 0.726 1.006 -0.040) 1.241 2.937 ( -0.139 -1.084 -0.171) 1.106 3.087 ( 4.473 3.234 1.564) 5.737 3.142 ( 1.656 -2.800 0.599) 3.308 3.303 ( 6.253 1.720 -2.027) 6.795 3.355 ( 4.444 -1.980 1.831) 5.198 3.370 ( 4.456 -0.070 -0.522) 4.487 3.395 ( 5.492 -1.768 -1.958) 6.093 3.553 ( 2.228 -0.331 2.295) 3.216 3.575 ( 0.241 -1.688 1.560) 2.311 3.709 ( 1.856 3.063 2.367) 4.293 3.745 ( -2.403 -0.678 0.569) 2.560 3.777 ( 3.337 -0.777 0.853) 3.531 3.818 ( 2.523 -3.492 1.411) 4.533 3.962 ( -2.933 0.892 -1.407) 3.373 4.000 ( -1.903 -2.765 -1.941) 3.878 4.479 ( 1.119 6.953 -0.354) 7.052 4.609 ( 2.273 -5.756 -1.122) 6.290 4.770 ( -2.072 3.793 -3.769) 5.735 4.797 ( -0.031 0.516 -2.027) 2.092 4.974 ( -0.158 3.837 -0.538) 3.877 5.064 ( 0.739 -3.967 -3.118) 5.099 5.510 ( 1.210 1.424 8.712) 8.910 5.542 ( 0.955 -0.595 3.363) 3.547 5.717 ( 1.502 1.117 6.869) 7.119 5.769 ( -0.252 -3.630 0.889) 3.746 6.234 ( 5.109 3.615 -3.431) 7.137 6.290 ( 7.562 -1.752 -2.720) 8.225 6.700 ( 2.182 0.791 -1.166) 2.598 6.732 ( 2.273 -1.978 -1.210) 3.247 7.611 ( 2.145 3.134 6.645) 7.654 7.657 ( 0.431 -0.738 5.885) 5.947 8.049 ( 12.269 2.781 -4.995) 13.536 8.142 ( 10.732 -5.413 -5.523) 13.228 8.597 ( -2.137 3.044 0.637) 3.773 8.648 ( -1.520 -1.456 -1.981) 2.890 9.139 ( -0.403 3.786 2.521) 4.566 9.247 ( 1.834 -6.030 0.594) 6.331 9.774 ( -12.815 4.736 -1.471) 13.741 9.867 ( -9.712 -4.159 -1.725) 10.705 10.242 ( -16.995 0.989 0.080) 17.024 10.264 ( -17.449 -1.110 0.008) 17.484 11.030 ( 1.101 1.094 -2.697) 3.112 11.044 ( 0.802 -0.155 -2.037) 2.194 11.179 ( 2.464 1.664 0.972) 3.128 11.225 ( 0.571 -2.672 2.837) 3.939 12.005 ( 15.119 1.712 0.026) 15.215 12.025 ( 14.567 -0.179 0.063) 14.568 12.889 ( -1.840 0.989 -2.012) 2.900 12.922 ( -1.393 -2.190 -0.661) 2.678 13.421 ( -3.891 1.889 1.614) 4.617 13.448 ( -3.410 -0.508 1.576) 3.791 14.793 ( 3.485 1.997 0.252) 4.024 14.838 ( 1.560 -2.265 -0.035) 2.750 14.928 ( 3.759 1.107 -0.769) 3.993 14.957 ( 2.005 -1.476 -0.731) 2.595 15.301 ( 3.274 0.319 0.418) 3.316 15.316 ( 3.302 -1.115 0.302) 3.498 15.649 ( 0.950 1.417 -0.387) 1.750 15.685 ( 1.519 -2.111 -0.709) 2.695 15.905 ( 5.866 0.983 0.546) 5.973 15.919 ( 6.110 -0.402 0.930) 6.194 16.833 ( -2.740 2.188 -0.345) 3.523 16.855 ( -2.922 0.565 -2.199) 3.701 16.943 ( -2.409 -0.341 -0.792) 2.559 16.966 ( -2.172 -2.169 1.986) 3.656 17.380 ( -20.246 0.983 1.144) 20.302 17.408 ( -20.746 -1.834 -1.611) 20.889 26.424 ( -0.729 1.284 0.349) 1.518 26.451 ( -0.440 -1.223 1.014) 1.648 26.504 ( -0.544 2.273 -1.622) 2.845 26.548 ( -0.219 -1.943 -1.767) 2.635 27.118 ( 0.448 3.997 3.158) 5.114 27.164 ( 0.692 0.220 1.655) 1.808 27.500 ( 4.208 1.513 -1.340) 4.669 27.556 ( 4.176 -3.147 -4.234) 6.728 28.365 ( 1.984 5.384 6.014) 8.312 28.475 ( 2.953 -5.481 3.408) 7.097 28.919 ( 3.051 6.150 -2.119) 7.185 29.019 ( 4.302 -3.600 -2.979) 6.352 29.126 ( -3.394 2.525 0.928) 4.331 29.205 ( -5.370 -5.364 2.538) 8.003 29.797 ( 11.488 5.747 -0.586) 12.859 29.928 ( 9.325 -7.190 -1.671) 11.893 ======================= Grid point 108 (63/63) ======================= q-point: (-0.12 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.661 ( -3.251 1.148 0.731) 3.525 0.700 ( -3.149 -1.283 1.198) 3.605 0.756 ( -5.380 3.352 -1.465) 6.505 0.817 ( -2.655 -1.122 -2.325) 3.703 0.885 ( 0.581 1.721 -1.557) 2.392 0.940 ( -0.779 -2.866 -0.729) 3.058 1.025 ( -1.990 4.864 0.806) 5.317 1.070 ( -7.093 4.593 -1.996) 8.683 1.121 ( -4.368 -0.708 0.246) 4.432 1.170 ( -5.455 -0.800 0.674) 5.554 1.228 ( -1.633 -0.153 2.375) 2.886 1.251 ( -1.000 0.770 0.422) 1.330 1.258 ( -4.337 0.171 1.091) 4.475 1.286 ( -5.080 -0.456 2.681) 5.762 1.370 ( -4.216 -2.745 1.203) 5.173 1.408 ( -5.515 -5.163 3.564) 8.353 1.465 ( -1.897 -0.352 -1.340) 2.349 1.478 ( 0.195 -1.308 0.075) 1.324 1.612 ( -5.377 2.754 0.597) 6.071 1.625 ( -3.604 1.412 -1.346) 4.098 1.697 ( -0.936 6.391 0.254) 6.464 1.792 ( -2.369 -2.530 -1.949) 3.977 1.887 ( -2.576 2.594 2.332) 4.336 1.945 ( -1.246 -2.404 -0.813) 2.827 2.029 ( -2.486 2.759 -1.246) 3.917 2.071 ( -3.916 0.582 -0.746) 4.029 2.237 ( -2.868 -2.030 -0.025) 3.513 2.253 ( -3.554 -2.744 -1.078) 4.618 2.714 ( 4.374 1.019 0.782) 4.559 2.751 ( 3.647 -1.502 -0.765) 4.018 2.928 ( 1.407 0.764 0.706) 1.749 2.978 ( 2.457 -2.919 0.216) 3.822 3.188 ( 3.240 0.373 0.620) 3.320 3.195 ( 5.574 0.816 2.069) 6.002 3.361 ( -0.013 2.945 0.308) 2.961 3.404 ( 1.560 1.617 0.349) 2.273 3.431 ( 1.502 -3.971 -1.906) 4.654 3.465 ( -1.413 -4.217 0.479) 4.473 3.546 ( 0.723 1.465 0.398) 1.682 3.601 ( -1.053 -4.285 1.369) 4.620 3.701 ( -0.425 1.491 2.464) 2.911 3.739 ( 0.969 -1.017 2.081) 2.511 3.848 ( 1.890 -1.466 -0.038) 2.392 3.870 ( 2.000 -2.757 0.960) 3.539 3.913 ( -0.958 2.282 -0.719) 2.577 3.960 ( -1.137 -2.427 -1.747) 3.199 4.504 ( 1.096 7.375 0.507) 7.474 4.629 ( -0.746 -3.333 -2.884) 4.470 4.729 ( -0.706 3.659 -1.435) 3.994 4.793 ( 0.146 -1.814 -2.733) 3.283 4.983 ( 0.931 3.997 0.521) 4.137 5.069 ( 0.359 -3.349 -3.424) 4.803 5.538 ( 0.629 0.432 4.022) 4.094 5.573 ( 0.968 -1.515 4.378) 4.733 5.755 ( -0.015 -0.123 5.231) 5.233 5.769 ( 0.847 -2.615 3.148) 4.179 6.319 ( 3.760 4.648 -2.605) 6.522 6.399 ( 3.301 -2.976 -4.400) 6.254 6.758 ( 3.595 1.227 -1.528) 4.094 6.777 ( 2.309 -0.735 -0.919) 2.591 7.681 ( 3.460 1.969 6.457) 7.585 7.703 ( 2.903 0.086 5.666) 6.367 8.295 ( 12.305 1.816 -3.916) 13.040 8.350 ( 10.280 -2.993 -4.548) 11.633 8.551 ( -2.709 1.935 0.452) 3.360 8.601 ( -3.363 -3.075 -0.947) 4.654 9.137 ( 0.193 7.568 1.438) 7.706 9.290 ( 2.129 -6.426 0.380) 6.781 9.497 ( -13.290 6.980 -0.562) 15.022 9.656 ( -10.383 -7.765 -1.933) 13.109 9.962 ( -10.152 0.375 -0.112) 10.159 9.977 ( -10.625 -0.973 -0.093) 10.670 11.046 ( 0.796 0.947 -1.757) 2.148 11.051 ( 0.220 0.396 -1.021) 1.117 11.232 ( 2.504 -0.154 -0.327) 2.530 11.244 ( 0.571 -1.143 1.764) 2.178 12.260 ( 9.891 2.267 0.895) 10.187 12.286 ( 10.842 -0.039 -0.772) 10.870 12.859 ( -0.699 1.112 -1.357) 1.888 12.890 ( -1.674 -1.786 -0.717) 2.551 13.340 ( -3.926 1.625 0.499) 4.279 13.370 ( -4.417 -1.176 1.130) 4.709 14.870 ( 2.858 0.017 -0.292) 2.873 14.876 ( 2.926 -0.593 -0.093) 2.987 14.980 ( 1.614 1.243 0.386) 2.073 15.010 ( 2.474 -1.735 0.255) 3.032 15.391 ( 5.049 0.969 0.142) 5.143 15.406 ( 5.534 -0.440 -0.243) 5.557 15.672 ( 1.230 1.373 0.014) 1.843 15.708 ( 0.653 -2.067 -0.840) 2.325 16.053 ( 9.052 0.887 0.170) 9.097 16.076 ( 9.526 -1.342 1.162) 9.690 16.779 ( -3.403 1.200 -0.767) 3.689 16.794 ( -2.744 -0.008 -1.845) 3.307 16.870 ( -6.738 -0.296 -0.320) 6.752 16.882 ( -8.760 -1.250 0.159) 8.850 16.956 ( -18.287 0.833 1.119) 18.340 16.972 ( -17.054 -0.787 0.799) 17.091 26.419 ( 0.103 1.736 0.314) 1.767 26.451 ( -0.011 -0.604 0.101) 0.612 26.493 ( -0.151 1.502 -0.506) 1.592 26.536 ( -0.614 -2.104 -1.488) 2.649 27.143 ( 1.312 4.183 3.450) 5.579 27.186 ( 1.047 0.784 1.500) 1.990 27.563 ( 2.320 0.506 -3.486) 4.217 27.610 ( 1.815 -3.354 -5.816) 6.955 28.487 ( 8.931 4.876 8.033) 12.964 28.576 ( 6.184 -4.025 4.963) 8.892 28.905 ( -3.538 5.476 -2.578) 7.011 29.021 ( -4.959 -6.055 -2.581) 8.241 29.072 ( -1.742 0.814 -0.244) 1.939 29.097 ( -3.581 -1.562 -0.426) 3.930 30.034 ( 10.320 2.948 1.136) 10.793 30.108 ( 7.471 -4.601 0.286) 8.779 =================== 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 3/22800 10.0 17.157 13.322 10.004 0.000 -2.405 0.000 3/22800 20.0 8.018 4.461 3.440 0.000 -0.706 0.000 3/22800 30.0 5.466 2.701 2.091 0.000 -0.399 0.000 3/22800 40.0 4.114 1.937 1.508 0.000 -0.267 0.000 3/22800 50.0 3.278 1.513 1.183 0.000 -0.198 0.000 3/22800 60.0 2.717 1.245 0.977 0.000 -0.156 0.000 3/22800 70.0 2.319 1.059 0.834 0.000 -0.128 0.000 3/22800 80.0 2.024 0.923 0.728 0.000 -0.109 0.000 3/22800 90.0 1.798 0.818 0.647 0.000 -0.095 0.000 3/22800 100.0 1.620 0.736 0.583 0.000 -0.084 0.000 3/22800 110.0 1.477 0.669 0.531 0.000 -0.075 0.000 3/22800 120.0 1.360 0.614 0.488 0.000 -0.068 0.000 3/22800 130.0 1.262 0.567 0.451 0.000 -0.062 0.000 3/22800 140.0 1.179 0.527 0.420 0.000 -0.058 0.000 3/22800 150.0 1.108 0.493 0.393 0.000 -0.053 0.000 3/22800 160.0 1.047 0.463 0.369 0.000 -0.050 0.000 3/22800 170.0 0.993 0.436 0.349 0.000 -0.047 0.000 3/22800 180.0 0.945 0.413 0.330 0.000 -0.044 0.000 3/22800 190.0 0.902 0.392 0.314 0.000 -0.042 0.000 3/22800 200.0 0.864 0.374 0.299 0.000 -0.040 0.000 3/22800 210.0 0.829 0.357 0.286 0.000 -0.038 0.000 3/22800 220.0 0.797 0.341 0.274 0.000 -0.036 0.000 3/22800 230.0 0.768 0.327 0.263 0.000 -0.034 0.000 3/22800 240.0 0.741 0.314 0.252 0.000 -0.033 0.000 3/22800 250.0 0.717 0.303 0.243 0.000 -0.032 0.000 3/22800 260.0 0.694 0.292 0.235 0.000 -0.030 0.000 3/22800 270.0 0.672 0.281 0.227 0.000 -0.029 0.000 3/22800 280.0 0.652 0.272 0.219 0.000 -0.028 0.000 3/22800 290.0 0.633 0.263 0.212 0.000 -0.027 0.000 3/22800 300.0 0.615 0.255 0.206 0.000 -0.027 0.000 3/22800 310.0 0.598 0.247 0.200 0.000 -0.026 0.000 3/22800 320.0 0.582 0.240 0.194 0.000 -0.025 0.000 3/22800 330.0 0.567 0.233 0.189 0.000 -0.024 0.000 3/22800 340.0 0.553 0.227 0.184 0.000 -0.024 0.000 3/22800 350.0 0.539 0.221 0.179 0.000 -0.023 0.000 3/22800 360.0 0.526 0.215 0.174 0.000 -0.022 0.000 3/22800 370.0 0.514 0.210 0.170 0.000 -0.022 0.000 3/22800 380.0 0.502 0.205 0.166 0.000 -0.021 0.000 3/22800 390.0 0.491 0.200 0.162 0.000 -0.021 0.000 3/22800 400.0 0.480 0.195 0.158 0.000 -0.020 0.000 3/22800 410.0 0.470 0.191 0.155 0.000 -0.020 0.000 3/22800 420.0 0.460 0.186 0.152 0.000 -0.019 0.000 3/22800 430.0 0.451 0.182 0.148 0.000 -0.019 0.000 3/22800 440.0 0.442 0.179 0.145 0.000 -0.019 0.000 3/22800 450.0 0.433 0.175 0.142 0.000 -0.018 0.000 3/22800 460.0 0.425 0.171 0.139 0.000 -0.018 0.000 3/22800 470.0 0.417 0.168 0.137 0.000 -0.018 0.000 3/22800 480.0 0.409 0.165 0.134 0.000 -0.017 0.000 3/22800 490.0 0.401 0.161 0.132 0.000 -0.017 0.000 3/22800 500.0 0.394 0.158 0.129 0.000 -0.017 0.000 3/22800 510.0 0.387 0.155 0.127 0.000 -0.016 0.000 3/22800 520.0 0.380 0.153 0.124 0.000 -0.016 0.000 3/22800 530.0 0.374 0.150 0.122 0.000 -0.016 0.000 3/22800 540.0 0.367 0.147 0.120 0.000 -0.016 0.000 3/22800 550.0 0.361 0.145 0.118 0.000 -0.015 0.000 3/22800 560.0 0.355 0.142 0.116 0.000 -0.015 0.000 3/22800 570.0 0.350 0.140 0.114 0.000 -0.015 0.000 3/22800 580.0 0.344 0.138 0.112 0.000 -0.015 0.000 3/22800 590.0 0.339 0.135 0.111 0.000 -0.014 0.000 3/22800 600.0 0.333 0.133 0.109 0.000 -0.014 0.000 3/22800 610.0 0.328 0.131 0.107 0.000 -0.014 0.000 3/22800 620.0 0.323 0.129 0.106 0.000 -0.014 0.000 3/22800 630.0 0.319 0.127 0.104 0.000 -0.013 0.000 3/22800 640.0 0.314 0.125 0.103 0.000 -0.013 0.000 3/22800 650.0 0.310 0.123 0.101 0.000 -0.013 0.000 3/22800 660.0 0.305 0.122 0.100 0.000 -0.013 0.000 3/22800 670.0 0.301 0.120 0.098 0.000 -0.013 0.000 3/22800 680.0 0.297 0.118 0.097 0.000 -0.013 0.000 3/22800 690.0 0.293 0.117 0.095 0.000 -0.012 0.000 3/22800 700.0 0.289 0.115 0.094 0.000 -0.012 0.000 3/22800 710.0 0.285 0.113 0.093 0.000 -0.012 0.000 3/22800 720.0 0.281 0.112 0.092 0.000 -0.012 0.000 3/22800 730.0 0.278 0.110 0.091 0.000 -0.012 0.000 3/22800 740.0 0.274 0.109 0.089 0.000 -0.012 0.000 3/22800 750.0 0.271 0.108 0.088 0.000 -0.011 0.000 3/22800 760.0 0.267 0.106 0.087 0.000 -0.011 0.000 3/22800 770.0 0.264 0.105 0.086 0.000 -0.011 0.000 3/22800 780.0 0.261 0.104 0.085 0.000 -0.011 0.000 3/22800 790.0 0.258 0.102 0.084 0.000 -0.011 0.000 3/22800 800.0 0.254 0.101 0.083 0.000 -0.011 0.000 3/22800 810.0 0.251 0.100 0.082 0.000 -0.011 0.000 3/22800 820.0 0.249 0.099 0.081 0.000 -0.011 0.000 3/22800 830.0 0.246 0.097 0.080 0.000 -0.010 0.000 3/22800 840.0 0.243 0.096 0.079 0.000 -0.010 0.000 3/22800 850.0 0.240 0.095 0.078 0.000 -0.010 0.000 3/22800 860.0 0.237 0.094 0.077 0.000 -0.010 0.000 3/22800 870.0 0.235 0.093 0.077 0.000 -0.010 0.000 3/22800 880.0 0.232 0.092 0.076 0.000 -0.010 0.000 3/22800 890.0 0.230 0.091 0.075 0.000 -0.010 0.000 3/22800 900.0 0.227 0.090 0.074 0.000 -0.010 0.000 3/22800 910.0 0.225 0.089 0.073 0.000 -0.010 0.000 3/22800 920.0 0.223 0.088 0.073 0.000 -0.009 0.000 3/22800 930.0 0.220 0.087 0.072 0.000 -0.009 0.000 3/22800 940.0 0.218 0.086 0.071 0.000 -0.009 0.000 3/22800 950.0 0.216 0.085 0.070 0.000 -0.009 0.000 3/22800 960.0 0.214 0.085 0.070 0.000 -0.009 0.000 3/22800 970.0 0.212 0.084 0.069 0.000 -0.009 0.000 3/22800 980.0 0.209 0.083 0.068 0.000 -0.009 0.000 3/22800 990.0 0.207 0.082 0.068 0.000 -0.009 0.000 3/22800 1000.0 0.205 0.081 0.067 0.000 -0.009 0.000 3/22800 Thermal conductivity related properties were written into "kappa-m855.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 08:47:05]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|