----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 13:45:33]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [1 1 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnnm (58) Number of symmetry operations in supercell: 8 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 9.582389060000001 0.000000000000000 0.000000000000000 b 0.000000000000000 16.414177280000001 0.000000000000000 c 0.000000000000000 0.000000000000000 6.178818629999999 Atomic positions (fractional): *1 K 0.19854487608667 0.96460654029506 0.00000000000000 39.098 2 K 0.30145512391333 0.46460654029506 0.50000000000000 39.098 3 K 0.80145512391333 0.03539345970494 0.00000000000000 39.098 4 K 0.69854487608667 0.53539345970494 0.50000000000000 39.098 *5 Mg 0.25023072297618 0.20241510237994 0.24679539972782 24.305 *6 Mg 0.51799118763278 0.64229374570969 0.00000000000000 24.305 7 Mg 0.24976927702382 0.70241510237994 0.25320460027218 24.305 8 Mg 0.75023072297618 0.29758489762006 0.25320460027218 24.305 9 Mg 0.75023072297618 0.29758489762006 0.74679539972782 24.305 *10 Mg 0.03767938016245 0.40835400244449 0.00000000000000 24.305 11 Mg 0.53767938016245 0.09164599755551 0.50000000000000 24.305 12 Mg 0.48200881236722 0.35770625429031 0.00000000000000 24.305 13 Mg 0.74976927702382 0.79758489762006 0.24679539972782 24.305 14 Mg 0.25023072297618 0.20241510237994 0.75320460027218 24.305 15 Mg 0.46232061983755 0.90835400244449 0.50000000000000 24.305 16 Mg 0.96232061983755 0.59164599755551 0.00000000000000 24.305 17 Mg 0.74976927702382 0.79758489762006 0.75320460027218 24.305 18 Mg 0.98200881236722 0.14229374570969 0.50000000000000 24.305 19 Mg 0.24976927702382 0.70241510237994 0.74679539972782 24.305 20 Mg 0.01799118763278 0.85770625429031 0.50000000000000 24.305 *21 P 0.45689254520237 0.27783900957759 0.50000000000000 30.974 *22 P 0.70834043550804 0.46347697732011 0.00000000000000 30.974 *23 P 0.04603025232287 0.33358395010779 0.50000000000000 30.974 24 P 0.54310745479763 0.72216099042241 0.50000000000000 30.974 25 P 0.04310745479763 0.77783900957759 0.00000000000000 30.974 26 P 0.79165956449196 0.96347697732011 0.50000000000000 30.974 27 P 0.95689254520237 0.22216099042241 0.00000000000000 30.974 28 P 0.20834043550804 0.03652302267989 0.50000000000000 30.974 29 P 0.54603025232287 0.16641604989221 0.00000000000000 30.974 30 P 0.45396974767713 0.83358395010779 0.00000000000000 30.974 31 P 0.95396974767713 0.66641604989221 0.50000000000000 30.974 32 P 0.29165956449196 0.53652302267989 0.00000000000000 30.974 *33 O 0.13237426489094 0.52073174956597 0.00000000000000 15.999 *34 O 0.40762391867995 0.87829443211549 0.79661608820621 15.999 *35 O 0.83704036405884 0.91019382313422 0.30239562531189 15.999 36 O 0.33704036405884 0.58980617686578 0.19760437468811 15.999 *37 O 0.60071407897105 0.68319341644130 0.70792094669489 15.999 38 O 0.10071407897105 0.81680658355870 0.79207905330511 15.999 *39 O 0.11740605397375 0.24538279149303 0.50000000000000 15.999 40 O 0.39928592102895 0.31680658355870 0.70792094669489 15.999 41 O 0.10071407897105 0.81680658355870 0.20792094669489 15.999 *42 O 0.61798357491323 0.27265326582019 0.50000000000000 15.999 43 O 0.36762573510906 0.02073174956597 0.50000000000000 15.999 44 O 0.16295963594116 0.08980617686579 0.69760437468811 15.999 *45 O 0.60664866093966 0.81099124249665 0.50000000000000 15.999 46 O 0.59237608132005 0.12170556788451 0.20338391179379 15.999 47 O 0.09237608132005 0.37829443211549 0.29661608820621 15.999 48 O 0.89928592102895 0.18319341644130 0.79207905330511 15.999 49 O 0.66295963594116 0.41019382313421 0.80239562531189 15.999 50 O 0.88201642508677 0.77265326582019 0.00000000000000 15.999 51 O 0.09237608132005 0.37829443211549 0.70338391179379 15.999 52 O 0.40762391867995 0.87829443211549 0.20338391179379 15.999 53 O 0.89928592102895 0.18319341644130 0.20792094669489 15.999 54 O 0.66295963594116 0.41019382313421 0.19760437468811 15.999 55 O 0.10664866093966 0.68900875750335 0.00000000000000 15.999 56 O 0.39335133906034 0.18900875750335 0.50000000000000 15.999 57 O 0.16295963594116 0.08980617686579 0.30239562531189 15.999 58 O 0.90762391867995 0.62170556788451 0.29661608820621 15.999 59 O 0.38259394602625 0.74538279149303 0.00000000000000 15.999 *60 O 0.61532249312098 0.82017909691070 0.00000000000000 15.999 61 O 0.88259394602625 0.75461720850697 0.50000000000000 15.999 *62 O 0.63703502980184 0.54601411063806 0.00000000000000 15.999 63 O 0.38201642508677 0.72734673417981 0.50000000000000 15.999 64 O 0.11532249312098 0.67982090308930 0.50000000000000 15.999 65 O 0.38467750687902 0.17982090308930 0.00000000000000 15.999 66 O 0.89335133906034 0.31099124249665 0.00000000000000 15.999 67 O 0.83704036405884 0.91019382313422 0.69760437468811 15.999 68 O 0.60071407897105 0.68319341644130 0.29207905330512 15.999 69 O 0.86296497019816 0.04601411063806 0.50000000000000 15.999 70 O 0.13703502980184 0.95398588936194 0.50000000000000 15.999 71 O 0.90762391867995 0.62170556788451 0.70338391179379 15.999 72 O 0.39928592102895 0.31680658355870 0.29207905330512 15.999 73 O 0.33704036405884 0.58980617686578 0.80239562531189 15.999 74 O 0.11798357491323 0.22734673417981 0.00000000000000 15.999 75 O 0.61740605397375 0.25461720850697 0.00000000000000 15.999 76 O 0.86762573510906 0.47926825043403 0.00000000000000 15.999 77 O 0.36296497019816 0.45398588936195 0.00000000000000 15.999 78 O 0.59237608132005 0.12170556788451 0.79661608820621 15.999 79 O 0.63237426489094 0.97926825043403 0.50000000000000 15.999 80 O 0.88467750687902 0.32017909691070 0.50000000000000 15.999 -------------------------------- unit cell --------------------------------- Lattice vectors: a 9.582389060000001 0.000000000000000 0.000000000000000 b 0.000000000000000 16.414177280000001 0.000000000000000 c 0.000000000000000 0.000000000000000 6.178818629999999 Atomic positions (fractional): *1 K 0.19854487608667 0.96460654029506 0.00000000000000 39.098 > 1 2 K 0.30145512391333 0.46460654029506 0.50000000000000 39.098 > 2 3 K 0.80145512391333 0.03539345970494 0.00000000000000 39.098 > 3 4 K 0.69854487608667 0.53539345970494 0.50000000000000 39.098 > 4 *5 Mg 0.25023072297618 0.20241510237994 0.24679539972782 24.305 > 5 *6 Mg 0.51799118763278 0.64229374570969 0.00000000000000 24.305 > 6 7 Mg 0.24976927702382 0.70241510237994 0.25320460027218 24.305 > 7 8 Mg 0.75023072297618 0.29758489762006 0.25320460027218 24.305 > 8 9 Mg 0.75023072297618 0.29758489762006 0.74679539972782 24.305 > 9 *10 Mg 0.03767938016245 0.40835400244449 0.00000000000000 24.305 > 10 11 Mg 0.53767938016245 0.09164599755551 0.50000000000000 24.305 > 11 12 Mg 0.48200881236722 0.35770625429031 0.00000000000000 24.305 > 12 13 Mg 0.74976927702382 0.79758489762006 0.24679539972782 24.305 > 13 14 Mg 0.25023072297618 0.20241510237994 0.75320460027218 24.305 > 14 15 Mg 0.46232061983755 0.90835400244449 0.50000000000000 24.305 > 15 16 Mg 0.96232061983755 0.59164599755551 0.00000000000000 24.305 > 16 17 Mg 0.74976927702382 0.79758489762006 0.75320460027218 24.305 > 17 18 Mg 0.98200881236722 0.14229374570969 0.50000000000000 24.305 > 18 19 Mg 0.24976927702382 0.70241510237994 0.74679539972782 24.305 > 19 20 Mg 0.01799118763278 0.85770625429031 0.50000000000000 24.305 > 20 *21 P 0.45689254520237 0.27783900957759 0.50000000000000 30.974 > 21 *22 P 0.70834043550804 0.46347697732011 0.00000000000000 30.974 > 22 *23 P 0.04603025232287 0.33358395010779 0.50000000000000 30.974 > 23 24 P 0.54310745479763 0.72216099042241 0.50000000000000 30.974 > 24 25 P 0.04310745479763 0.77783900957759 0.00000000000000 30.974 > 25 26 P 0.79165956449196 0.96347697732011 0.50000000000000 30.974 > 26 27 P 0.95689254520237 0.22216099042241 0.00000000000000 30.974 > 27 28 P 0.20834043550804 0.03652302267989 0.50000000000000 30.974 > 28 29 P 0.54603025232287 0.16641604989221 0.00000000000000 30.974 > 29 30 P 0.45396974767713 0.83358395010779 0.00000000000000 30.974 > 30 31 P 0.95396974767713 0.66641604989221 0.50000000000000 30.974 > 31 32 P 0.29165956449196 0.53652302267989 0.00000000000000 30.974 > 32 *33 O 0.13237426489094 0.52073174956597 0.00000000000000 15.999 > 33 *34 O 0.40762391867995 0.87829443211549 0.79661608820621 15.999 > 34 *35 O 0.83704036405884 0.91019382313422 0.30239562531189 15.999 > 35 36 O 0.33704036405884 0.58980617686578 0.19760437468811 15.999 > 36 *37 O 0.60071407897105 0.68319341644130 0.70792094669489 15.999 > 37 38 O 0.10071407897105 0.81680658355870 0.79207905330511 15.999 > 38 *39 O 0.11740605397375 0.24538279149303 0.50000000000000 15.999 > 39 40 O 0.39928592102895 0.31680658355870 0.70792094669489 15.999 > 40 41 O 0.10071407897105 0.81680658355870 0.20792094669489 15.999 > 41 *42 O 0.61798357491323 0.27265326582019 0.50000000000000 15.999 > 42 43 O 0.36762573510906 0.02073174956597 0.50000000000000 15.999 > 43 44 O 0.16295963594116 0.08980617686579 0.69760437468811 15.999 > 44 *45 O 0.60664866093966 0.81099124249665 0.50000000000000 15.999 > 45 46 O 0.59237608132005 0.12170556788451 0.20338391179379 15.999 > 46 47 O 0.09237608132005 0.37829443211549 0.29661608820621 15.999 > 47 48 O 0.89928592102895 0.18319341644130 0.79207905330511 15.999 > 48 49 O 0.66295963594116 0.41019382313421 0.80239562531189 15.999 > 49 50 O 0.88201642508677 0.77265326582019 0.00000000000000 15.999 > 50 51 O 0.09237608132005 0.37829443211549 0.70338391179379 15.999 > 51 52 O 0.40762391867995 0.87829443211549 0.20338391179379 15.999 > 52 53 O 0.89928592102895 0.18319341644130 0.20792094669489 15.999 > 53 54 O 0.66295963594116 0.41019382313421 0.19760437468811 15.999 > 54 55 O 0.10664866093966 0.68900875750335 0.00000000000000 15.999 > 55 56 O 0.39335133906034 0.18900875750335 0.50000000000000 15.999 > 56 57 O 0.16295963594116 0.08980617686579 0.30239562531189 15.999 > 57 58 O 0.90762391867995 0.62170556788451 0.29661608820621 15.999 > 58 59 O 0.38259394602625 0.74538279149303 0.00000000000000 15.999 > 59 *60 O 0.61532249312098 0.82017909691070 0.00000000000000 15.999 > 60 61 O 0.88259394602625 0.75461720850697 0.50000000000000 15.999 > 61 *62 O 0.63703502980184 0.54601411063806 0.00000000000000 15.999 > 62 63 O 0.38201642508677 0.72734673417981 0.50000000000000 15.999 > 63 64 O 0.11532249312098 0.67982090308930 0.50000000000000 15.999 > 64 65 O 0.38467750687902 0.17982090308930 0.00000000000000 15.999 > 65 66 O 0.89335133906034 0.31099124249665 0.00000000000000 15.999 > 66 67 O 0.83704036405884 0.91019382313422 0.69760437468811 15.999 > 67 68 O 0.60071407897105 0.68319341644130 0.29207905330512 15.999 > 68 69 O 0.86296497019816 0.04601411063806 0.50000000000000 15.999 > 69 70 O 0.13703502980184 0.95398588936194 0.50000000000000 15.999 > 70 71 O 0.90762391867995 0.62170556788451 0.70338391179379 15.999 > 71 72 O 0.39928592102895 0.31680658355870 0.29207905330512 15.999 > 72 73 O 0.33704036405884 0.58980617686578 0.80239562531189 15.999 > 73 74 O 0.11798357491323 0.22734673417981 0.00000000000000 15.999 > 74 75 O 0.61740605397375 0.25461720850697 0.00000000000000 15.999 > 75 76 O 0.86762573510906 0.47926825043403 0.00000000000000 15.999 > 76 77 O 0.36296497019816 0.45398588936195 0.00000000000000 15.999 > 77 78 O 0.59237608132005 0.12170556788451 0.79661608820621 15.999 > 78 79 O 0.63237426489094 0.97926825043403 0.50000000000000 15.999 > 79 80 O 0.88467750687902 0.32017909691070 0.50000000000000 15.999 > 80 -------------------------------- super cell -------------------------------- Lattice vectors: a 9.582389060000001 0.000000000000000 0.000000000000000 b 0.000000000000000 16.414177280000001 0.000000000000000 c 0.000000000000000 0.000000000000000 6.178818629999999 Atomic positions (fractional): *1 K 0.19854487608667 0.96460654029506 0.00000000000000 39.098 > 1 2 K 0.30145512391333 0.46460654029506 0.50000000000000 39.098 > 2 3 K 0.80145512391333 0.03539345970494 0.00000000000000 39.098 > 3 4 K 0.69854487608667 0.53539345970494 0.50000000000000 39.098 > 4 *5 Mg 0.25023072297618 0.20241510237994 0.24679539972782 24.305 > 5 *6 Mg 0.51799118763278 0.64229374570969 0.00000000000000 24.305 > 6 7 Mg 0.24976927702382 0.70241510237994 0.25320460027218 24.305 > 7 8 Mg 0.75023072297618 0.29758489762006 0.25320460027218 24.305 > 8 9 Mg 0.75023072297618 0.29758489762006 0.74679539972782 24.305 > 9 *10 Mg 0.03767938016245 0.40835400244449 0.00000000000000 24.305 > 10 11 Mg 0.53767938016245 0.09164599755551 0.50000000000000 24.305 > 11 12 Mg 0.48200881236722 0.35770625429031 0.00000000000000 24.305 > 12 13 Mg 0.74976927702382 0.79758489762006 0.24679539972782 24.305 > 13 14 Mg 0.25023072297618 0.20241510237994 0.75320460027218 24.305 > 14 15 Mg 0.46232061983755 0.90835400244449 0.50000000000000 24.305 > 15 16 Mg 0.96232061983755 0.59164599755551 0.00000000000000 24.305 > 16 17 Mg 0.74976927702382 0.79758489762006 0.75320460027218 24.305 > 17 18 Mg 0.98200881236722 0.14229374570969 0.50000000000000 24.305 > 18 19 Mg 0.24976927702382 0.70241510237994 0.74679539972782 24.305 > 19 20 Mg 0.01799118763278 0.85770625429031 0.50000000000000 24.305 > 20 *21 P 0.45689254520237 0.27783900957759 0.50000000000000 30.974 > 21 *22 P 0.70834043550804 0.46347697732011 0.00000000000000 30.974 > 22 *23 P 0.04603025232287 0.33358395010779 0.50000000000000 30.974 > 23 24 P 0.54310745479763 0.72216099042241 0.50000000000000 30.974 > 24 25 P 0.04310745479763 0.77783900957759 0.00000000000000 30.974 > 25 26 P 0.79165956449196 0.96347697732011 0.50000000000000 30.974 > 26 27 P 0.95689254520237 0.22216099042241 0.00000000000000 30.974 > 27 28 P 0.20834043550804 0.03652302267989 0.50000000000000 30.974 > 28 29 P 0.54603025232287 0.16641604989221 0.00000000000000 30.974 > 29 30 P 0.45396974767713 0.83358395010779 0.00000000000000 30.974 > 30 31 P 0.95396974767713 0.66641604989221 0.50000000000000 30.974 > 31 32 P 0.29165956449196 0.53652302267989 0.00000000000000 30.974 > 32 *33 O 0.13237426489094 0.52073174956597 0.00000000000000 15.999 > 33 *34 O 0.40762391867995 0.87829443211549 0.79661608820621 15.999 > 34 *35 O 0.83704036405884 0.91019382313422 0.30239562531189 15.999 > 35 36 O 0.33704036405884 0.58980617686578 0.19760437468811 15.999 > 36 *37 O 0.60071407897105 0.68319341644130 0.70792094669489 15.999 > 37 38 O 0.10071407897105 0.81680658355870 0.79207905330511 15.999 > 38 *39 O 0.11740605397375 0.24538279149303 0.50000000000000 15.999 > 39 40 O 0.39928592102895 0.31680658355870 0.70792094669489 15.999 > 40 41 O 0.10071407897105 0.81680658355870 0.20792094669489 15.999 > 41 *42 O 0.61798357491323 0.27265326582019 0.50000000000000 15.999 > 42 43 O 0.36762573510906 0.02073174956597 0.50000000000000 15.999 > 43 44 O 0.16295963594116 0.08980617686579 0.69760437468811 15.999 > 44 *45 O 0.60664866093966 0.81099124249665 0.50000000000000 15.999 > 45 46 O 0.59237608132005 0.12170556788451 0.20338391179379 15.999 > 46 47 O 0.09237608132005 0.37829443211549 0.29661608820621 15.999 > 47 48 O 0.89928592102895 0.18319341644130 0.79207905330511 15.999 > 48 49 O 0.66295963594116 0.41019382313421 0.80239562531189 15.999 > 49 50 O 0.88201642508677 0.77265326582019 0.00000000000000 15.999 > 50 51 O 0.09237608132005 0.37829443211549 0.70338391179379 15.999 > 51 52 O 0.40762391867995 0.87829443211549 0.20338391179379 15.999 > 52 53 O 0.89928592102895 0.18319341644130 0.20792094669489 15.999 > 53 54 O 0.66295963594116 0.41019382313421 0.19760437468811 15.999 > 54 55 O 0.10664866093966 0.68900875750335 0.00000000000000 15.999 > 55 56 O 0.39335133906034 0.18900875750335 0.50000000000000 15.999 > 56 57 O 0.16295963594116 0.08980617686579 0.30239562531189 15.999 > 57 58 O 0.90762391867995 0.62170556788451 0.29661608820621 15.999 > 58 59 O 0.38259394602625 0.74538279149303 0.00000000000000 15.999 > 59 *60 O 0.61532249312098 0.82017909691070 0.00000000000000 15.999 > 60 61 O 0.88259394602625 0.75461720850697 0.50000000000000 15.999 > 61 *62 O 0.63703502980184 0.54601411063806 0.00000000000000 15.999 > 62 63 O 0.38201642508677 0.72734673417981 0.50000000000000 15.999 > 63 64 O 0.11532249312098 0.67982090308930 0.50000000000000 15.999 > 64 65 O 0.38467750687902 0.17982090308930 0.00000000000000 15.999 > 65 66 O 0.89335133906034 0.31099124249665 0.00000000000000 15.999 > 66 67 O 0.83704036405884 0.91019382313422 0.69760437468811 15.999 > 67 68 O 0.60071407897105 0.68319341644130 0.29207905330512 15.999 > 68 69 O 0.86296497019816 0.04601411063806 0.50000000000000 15.999 > 69 70 O 0.13703502980184 0.95398588936194 0.50000000000000 15.999 > 70 71 O 0.90762391867995 0.62170556788451 0.70338391179379 15.999 > 71 72 O 0.39928592102895 0.31680658355870 0.29207905330512 15.999 > 72 73 O 0.33704036405884 0.58980617686578 0.80239562531189 15.999 > 73 74 O 0.11798357491323 0.22734673417981 0.00000000000000 15.999 > 74 75 O 0.61740605397375 0.25461720850697 0.00000000000000 15.999 > 75 76 O 0.86762573510906 0.47926825043403 0.00000000000000 15.999 > 76 77 O 0.36296497019816 0.45398588936195 0.00000000000000 15.999 > 77 78 O 0.59237608132005 0.12170556788451 0.79661608820621 15.999 > 78 79 O 0.63237426489094 0.97926825043403 0.50000000000000 15.999 > 79 80 O 0.88467750687902 0.32017909691070 0.50000000000000 15.999 > 80 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.5864972 0.0000000 0.0000000 0.0000000 2.5558682 0.0000000 0.0000000 0.0000000 2.5689013 -------------------------- Born effective charges -------------------------- 1 K 1.0586769 -0.0294312 -0.0000000 -0.0823731 1.3272826 0.0000000 -0.0000000 -0.0000000 1.2642862 2 K 1.0586769 0.0294312 -0.0000000 0.0823731 1.3272826 0.0000000 -0.0000000 -0.0000000 1.2642862 3 K 1.0586769 -0.0294312 -0.0000000 -0.0823731 1.3272826 0.0000000 -0.0000000 -0.0000000 1.2642862 4 K 1.0586769 0.0294312 -0.0000000 0.0823731 1.3272826 0.0000000 -0.0000000 -0.0000000 1.2642862 5 Mg 2.3449749 -0.0192733 0.0078657 0.1073395 1.8324689 0.1338223 -0.0007061 0.0001786 2.0846237 6 Mg 2.0667557 -0.0787983 -0.0000000 -0.0391328 2.3441349 0.0000000 -0.0000000 -0.0000000 2.1156028 7 Mg 2.3449749 0.0192733 0.0078657 -0.1073395 1.8324689 -0.1338223 -0.0007061 -0.0001786 2.0846237 8 Mg 2.3449749 0.0192733 -0.0078657 -0.1073395 1.8324689 0.1338223 0.0007061 0.0001786 2.0846237 9 Mg 2.3449749 0.0192733 0.0078657 -0.1073395 1.8324689 -0.1338223 -0.0007061 -0.0001786 2.0846237 10 Mg 2.0344547 0.1805506 -0.0000000 0.2152684 2.2897755 0.0000000 -0.0000000 -0.0000000 2.1803241 11 Mg 2.0344547 -0.1805506 -0.0000000 -0.2152684 2.2897755 0.0000000 -0.0000000 -0.0000000 2.1803241 12 Mg 2.0667557 -0.0787983 -0.0000000 -0.0391328 2.3441349 0.0000000 -0.0000000 -0.0000000 2.1156028 13 Mg 2.3449749 -0.0192733 -0.0078657 0.1073395 1.8324689 -0.1338223 0.0007061 -0.0001786 2.0846237 14 Mg 2.3449749 -0.0192733 -0.0078657 0.1073395 1.8324689 -0.1338223 0.0007061 -0.0001786 2.0846237 15 Mg 2.0344547 -0.1805506 -0.0000000 -0.2152684 2.2897755 0.0000000 -0.0000000 -0.0000000 2.1803241 16 Mg 2.0344547 0.1805506 -0.0000000 0.2152684 2.2897755 0.0000000 -0.0000000 -0.0000000 2.1803241 17 Mg 2.3449749 -0.0192733 0.0078657 0.1073395 1.8324689 0.1338223 -0.0007061 0.0001786 2.0846237 18 Mg 2.0667557 0.0787983 -0.0000000 0.0391328 2.3441349 0.0000000 -0.0000000 -0.0000000 2.1156028 19 Mg 2.3449749 0.0192733 -0.0078657 -0.1073395 1.8324689 0.1338223 0.0007061 0.0001786 2.0846237 20 Mg 2.0667557 0.0787983 -0.0000000 0.0391328 2.3441349 0.0000000 -0.0000000 -0.0000000 2.1156028 21 P 3.2152876 0.1334201 -0.0000000 0.0745142 2.6021000 0.0000000 -0.0000000 -0.0000000 3.3324651 22 P 3.1991490 -0.0843014 -0.0000000 0.0143669 3.6348077 0.0000000 -0.0000000 -0.0000000 2.6377648 23 P 3.1558394 -0.1167603 -0.0000000 0.0243052 2.9326039 0.0000000 -0.0000000 -0.0000000 3.2933389 24 P 3.2152876 0.1334201 -0.0000000 0.0745142 2.6021000 0.0000000 -0.0000000 -0.0000000 3.3324651 25 P 3.2152876 -0.1334201 -0.0000000 -0.0745142 2.6021000 0.0000000 -0.0000000 -0.0000000 3.3324651 26 P 3.1991490 0.0843014 -0.0000000 -0.0143669 3.6348077 0.0000000 -0.0000000 -0.0000000 2.6377648 27 P 3.2152876 -0.1334201 -0.0000000 -0.0745142 2.6021000 0.0000000 -0.0000000 -0.0000000 3.3324651 28 P 3.1991490 0.0843014 -0.0000000 -0.0143669 3.6348077 0.0000000 -0.0000000 -0.0000000 2.6377648 29 P 3.1558394 0.1167603 -0.0000000 -0.0243052 2.9326039 0.0000000 -0.0000000 -0.0000000 3.2933389 30 P 3.1558394 0.1167603 -0.0000000 -0.0243052 2.9326039 0.0000000 -0.0000000 -0.0000000 3.2933389 31 P 3.1558394 -0.1167603 -0.0000000 0.0243052 2.9326039 0.0000000 -0.0000000 -0.0000000 3.2933389 32 P 3.1991490 -0.0843014 -0.0000000 0.0143669 3.6348077 0.0000000 -0.0000000 -0.0000000 2.6377648 33 O -2.4245848 -0.1912956 -0.0000000 -0.2167629 -1.5715762 0.0000000 -0.0000000 -0.0000000 -0.9756836 34 O -1.1727600 0.1593895 -0.0796492 0.1870818 -1.3497876 0.4517462 -0.0753663 0.4493963 -2.0253348 35 O -1.2830601 0.1469517 0.0905679 0.1312964 -1.8128209 -0.3723064 0.1226763 -0.4375019 -1.6640554 36 O -1.2830601 -0.1469517 -0.0905679 -0.1312964 -1.8128209 -0.3723064 -0.1226763 -0.4375019 -1.6640554 37 O -1.3031160 0.0108979 -0.1212975 0.0138771 -1.3080117 0.3563232 -0.1330146 0.3306242 -1.9776628 38 O -1.3031160 -0.0108979 0.1212975 -0.0138771 -1.3080117 0.3563232 0.1330146 0.3306242 -1.9776628 39 O -1.6086326 0.5101891 -0.0000000 0.4345777 -2.1043440 0.0000000 -0.0000000 -0.0000000 -1.3294839 40 O -1.3031160 0.0108979 0.1212975 0.0138771 -1.3080117 -0.3563232 0.1330146 -0.3306242 -1.9776628 41 O -1.3031160 -0.0108979 -0.1212975 -0.0138771 -1.3080117 -0.3563232 -0.1330146 -0.3306242 -1.9776628 42 O -2.4300769 -0.0920760 -0.0000000 -0.1039399 -0.9773290 0.0000000 -0.0000000 -0.0000000 -1.4677860 43 O -2.4245848 0.1912956 -0.0000000 0.2167629 -1.5715762 0.0000000 -0.0000000 -0.0000000 -0.9756836 44 O -1.2830601 0.1469517 0.0905679 0.1312964 -1.8128209 -0.3723064 0.1226763 -0.4375019 -1.6640554 45 O -1.5076664 -0.3274794 -0.0000000 -0.2961243 -1.9192102 0.0000000 -0.0000000 -0.0000000 -1.3418471 46 O -1.1727600 0.1593895 -0.0796492 0.1870818 -1.3497876 0.4517462 -0.0753663 0.4493963 -2.0253348 47 O -1.1727600 -0.1593895 0.0796492 -0.1870818 -1.3497876 0.4517462 0.0753663 0.4493963 -2.0253348 48 O -1.3031160 -0.0108979 -0.1212975 -0.0138771 -1.3080117 -0.3563232 -0.1330146 -0.3306242 -1.9776628 49 O -1.2830601 -0.1469517 -0.0905679 -0.1312964 -1.8128209 -0.3723064 -0.1226763 -0.4375019 -1.6640554 50 O -2.4300769 0.0920760 -0.0000000 0.1039399 -0.9773290 0.0000000 -0.0000000 -0.0000000 -1.4677860 51 O -1.1727600 -0.1593895 -0.0796492 -0.1870818 -1.3497876 -0.4517462 -0.0753663 -0.4493963 -2.0253348 52 O -1.1727600 0.1593895 0.0796492 0.1870818 -1.3497876 -0.4517462 0.0753663 -0.4493963 -2.0253348 53 O -1.3031160 -0.0108979 0.1212975 -0.0138771 -1.3080117 0.3563232 0.1330146 0.3306242 -1.9776628 54 O -1.2830601 -0.1469517 0.0905679 -0.1312964 -1.8128209 0.3723064 0.1226763 0.4375019 -1.6640554 55 O -1.5076664 0.3274794 -0.0000000 0.2961243 -1.9192102 0.0000000 -0.0000000 -0.0000000 -1.3418471 56 O -1.5076664 -0.3274794 -0.0000000 -0.2961243 -1.9192102 0.0000000 -0.0000000 -0.0000000 -1.3418471 57 O -1.2830601 0.1469517 -0.0905679 0.1312964 -1.8128209 0.3723064 -0.1226763 0.4375019 -1.6640554 58 O -1.1727600 -0.1593895 -0.0796492 -0.1870818 -1.3497876 -0.4517462 -0.0753663 -0.4493963 -2.0253348 59 O -1.6086326 -0.5101891 -0.0000000 -0.4345777 -2.1043440 0.0000000 -0.0000000 -0.0000000 -1.3294839 60 O -2.4078544 0.1850535 -0.0000000 0.1510292 -1.0345141 0.0000000 -0.0000000 -0.0000000 -1.4941191 61 O -1.6086326 0.5101891 -0.0000000 0.4345777 -2.1043440 0.0000000 -0.0000000 -0.0000000 -1.3294839 62 O -1.5234258 0.6154882 -0.0000000 0.6079887 -2.2474286 0.0000000 -0.0000000 -0.0000000 -1.0500035 63 O -2.4300769 -0.0920760 -0.0000000 -0.1039399 -0.9773290 0.0000000 -0.0000000 -0.0000000 -1.4677860 64 O -2.4078544 -0.1850535 -0.0000000 -0.1510292 -1.0345141 0.0000000 -0.0000000 -0.0000000 -1.4941191 65 O -2.4078544 0.1850535 -0.0000000 0.1510292 -1.0345141 0.0000000 -0.0000000 -0.0000000 -1.4941191 66 O -1.5076664 0.3274794 -0.0000000 0.2961243 -1.9192102 0.0000000 -0.0000000 -0.0000000 -1.3418471 67 O -1.2830601 0.1469517 -0.0905679 0.1312964 -1.8128209 0.3723064 -0.1226763 0.4375019 -1.6640554 68 O -1.3031160 0.0108979 0.1212975 0.0138771 -1.3080117 -0.3563232 0.1330146 -0.3306242 -1.9776628 69 O -1.5234258 -0.6154882 -0.0000000 -0.6079887 -2.2474286 0.0000000 -0.0000000 -0.0000000 -1.0500035 70 O -1.5234258 -0.6154882 -0.0000000 -0.6079887 -2.2474286 0.0000000 -0.0000000 -0.0000000 -1.0500035 71 O -1.1727600 -0.1593895 0.0796492 -0.1870818 -1.3497876 0.4517462 0.0753663 0.4493963 -2.0253348 72 O -1.3031160 0.0108979 -0.1212975 0.0138771 -1.3080117 0.3563232 -0.1330146 0.3306242 -1.9776628 73 O -1.2830601 -0.1469517 0.0905679 -0.1312964 -1.8128209 0.3723064 0.1226763 0.4375019 -1.6640554 74 O -2.4300769 0.0920760 -0.0000000 0.1039399 -0.9773290 0.0000000 -0.0000000 -0.0000000 -1.4677860 75 O -1.6086326 -0.5101891 -0.0000000 -0.4345777 -2.1043440 0.0000000 -0.0000000 -0.0000000 -1.3294839 76 O -2.4245848 -0.1912956 -0.0000000 -0.2167629 -1.5715762 0.0000000 -0.0000000 -0.0000000 -0.9756836 77 O -1.5234258 0.6154882 -0.0000000 0.6079887 -2.2474286 0.0000000 -0.0000000 -0.0000000 -1.0500035 78 O -1.1727600 0.1593895 0.0796492 0.1870818 -1.3497876 -0.4517462 0.0753663 -0.4493963 -2.0253348 79 O -2.4245848 0.1912956 -0.0000000 0.2167629 -1.5715762 0.0000000 -0.0000000 -0.0000000 -0.9756836 80 O -2.4078544 -0.1850535 -0.0000000 -0.1510292 -1.0345141 0.0000000 -0.0000000 -0.0000000 -1.4941191 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 240/240 Permutation basis: 28680/28680 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 3864 Number of blocks in projector: 3864 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: 1088 Use submatrix version of eigh solver. (1) Block: 500 / 1088 (2) Block: 250 / 500 (2) 226 eigenvectors found. (2) Block: 500 / 500 (2) 227 eigenvectors found. (2) Complementary block size: 47 (2) Compute compressed projector. (2) Use standard solver. (2) 23 eigenvectors found. (1) 476 eigenvectors found. (1) Block: 1088 / 1088 (2) Block: 250 / 588 (2) 220 eigenvectors found. (2) Block: 500 / 588 (2) 220 eigenvectors found. (2) Block: 588 / 588 (2) 64 eigenvectors found. (2) Complementary block size: 84 (2) Compute compressed projector. (2) Use standard solver. (2) 52 eigenvectors found. (1) 556 eigenvectors found. (1) Complementary block size: 56 (1) Compute compressed projector. (1) Use standard solver. (1) 24 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 584 Use submatrix version of eigh solver. (1) Block: 584 / 584 (2) Block: 250 / 584 (2) 234 eigenvectors found. (2) Block: 500 / 584 (2) 235 eigenvectors found. (2) Block: 584 / 584 (2) 74 eigenvectors found. (2) Complementary block size: 41 (2) Compute compressed projector. (2) Use standard solver. (2) 25 eigenvectors found. (1) 568 eigenvectors found. (1) Complementary block size: 15 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 584 Use submatrix version of eigh solver. (1) Block: 584 / 584 (2) Block: 250 / 584 (2) 234 eigenvectors found. (2) Block: 500 / 584 (2) 235 eigenvectors found. (2) Block: 584 / 584 (2) 74 eigenvectors found. (2) Complementary block size: 41 (2) Compute compressed projector. (2) Use standard solver. (2) 25 eigenvectors found. (1) 568 eigenvectors found. (1) Complementary block size: 15 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 584 Use submatrix version of eigh solver. (1) Block: 584 / 584 (2) Block: 250 / 584 (2) 234 eigenvectors found. (2) Block: 500 / 584 (2) 235 eigenvectors found. (2) Block: 584 / 584 (2) 74 eigenvectors found. (2) Complementary block size: 41 (2) Compute compressed projector. (2) Use standard solver. (2) 25 eigenvectors found. (1) 568 eigenvectors found. (1) Complementary block size: 15 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 512 Use submatrix version of eigh solver. (1) Block: 512 / 512 (2) Block: 250 / 512 (2) 242 eigenvectors found. (2) Block: 512 / 512 (2) 254 eigenvectors found. (2) Complementary block size: 16 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 504 eigenvectors found. (1) Complementary block size: 8 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 512 Use submatrix version of eigh solver. (1) Block: 512 / 512 (2) Block: 250 / 512 (2) 242 eigenvectors found. (2) Block: 512 / 512 (2) 254 eigenvectors found. (2) Complementary block size: 16 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 504 eigenvectors found. (1) Complementary block size: 8 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. Tree of FC basis block matrices: - (3864, 3768), data: False |-- (512, 504), data: False |-- (512, 504), data: False |-- (512, 8), data: (512, 16) @ (16, 8) |-- (262, 254), data: True |-- (250, 242), data: True |-- (512, 504), data: False |-- (512, 504), data: False |-- (512, 8), data: (512, 16) @ (16, 8) |-- (262, 254), data: True |-- (250, 242), data: True |-- (584, 568), data: False |-- (584, 568), data: False |-- (584, 25), data: (584, 41) @ (41, 25) |-- (84, 74), data: True |-- (250, 235), data: True |-- (250, 234), data: True |-- (584, 568), data: False |-- (584, 568), data: False |-- (584, 25), data: (584, 41) @ (41, 25) |-- (84, 74), data: True |-- (250, 235), data: True |-- (250, 234), data: True |-- (584, 568), data: False |-- (584, 568), data: False |-- (584, 25), data: (584, 41) @ (41, 25) |-- (84, 74), data: True |-- (250, 235), data: True |-- (250, 234), data: True |-- (1088, 1056), data: False |-- (1088, 24), data: (1088, 56) @ (56, 24) |-- (588, 556), data: False |-- (588, 52), data: (588, 84) @ (84, 52) |-- (88, 64), data: True |-- (250, 220), data: True |-- (250, 220), data: True |-- (500, 476), data: False |-- (500, 23), data: (500, 47) @ (47, 23) |-- (250, 227), data: True |-- (250, 226), data: True ----- Solver_atoms: 1 -- 80 / 80 Time (Solver_compr_matrix_reshape): 0.001 Solver_block: 100 / 1200 - Time: 1.569 Solver_block: 200 / 1200 - Time: 1.852 Solver_block: 300 / 1200 - Time: 1.198 Solver_block: 400 / 1200 - Time: 1.473 Solver_block: 500 / 1200 - Time: 1.262 Solver_block: 600 / 1200 - Time: 1.661 Solver_block: 700 / 1200 - Time: 1.499 Solver_block: 800 / 1200 - Time: 1.743 Solver_block: 900 / 1200 - Time: 1.534 Solver_block: 1000 / 1200 - Time: 1.388 Solver_block: 1100 / 1200 - Time: 1.614 Solver_block: 1200 / 1200 - Time: 1.492 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 19.119 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (zz) 0.00000000 (zz) Permutation basis: 240/240 Permutation basis: 28680/28680 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 3864 Number of blocks in projector: 3864 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: 1088 Use submatrix version of eigh solver. (1) Block: 500 / 1088 (2) Block: 250 / 500 (2) 226 eigenvectors found. (2) Block: 500 / 500 (2) 227 eigenvectors found. (2) Complementary block size: 47 (2) Compute compressed projector. (2) Use standard solver. (2) 23 eigenvectors found. (1) 476 eigenvectors found. (1) Block: 1088 / 1088 (2) Block: 250 / 588 (2) 220 eigenvectors found. (2) Block: 500 / 588 (2) 220 eigenvectors found. (2) Block: 588 / 588 (2) 64 eigenvectors found. (2) Complementary block size: 84 (2) Compute compressed projector. (2) Use standard solver. (2) 52 eigenvectors found. (1) 556 eigenvectors found. (1) Complementary block size: 56 (1) Compute compressed projector. (1) Use standard solver. (1) 24 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 584 Use submatrix version of eigh solver. (1) Block: 584 / 584 (2) Block: 250 / 584 (2) 234 eigenvectors found. (2) Block: 500 / 584 (2) 235 eigenvectors found. (2) Block: 584 / 584 (2) 74 eigenvectors found. (2) Complementary block size: 41 (2) Compute compressed projector. (2) Use standard solver. (2) 25 eigenvectors found. (1) 568 eigenvectors found. (1) Complementary block size: 15 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 584 Use submatrix version of eigh solver. (1) Block: 584 / 584 (2) Block: 250 / 584 (2) 234 eigenvectors found. (2) Block: 500 / 584 (2) 235 eigenvectors found. (2) Block: 584 / 584 (2) 74 eigenvectors found. (2) Complementary block size: 41 (2) Compute compressed projector. (2) Use standard solver. (2) 25 eigenvectors found. (1) 568 eigenvectors found. (1) Complementary block size: 15 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 584 Use submatrix version of eigh solver. (1) Block: 584 / 584 (2) Block: 250 / 584 (2) 234 eigenvectors found. (2) Block: 500 / 584 (2) 235 eigenvectors found. (2) Block: 584 / 584 (2) 74 eigenvectors found. (2) Complementary block size: 41 (2) Compute compressed projector. (2) Use standard solver. (2) 25 eigenvectors found. (1) 568 eigenvectors found. (1) Complementary block size: 15 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 512 Use submatrix version of eigh solver. (1) Block: 512 / 512 (2) Block: 250 / 512 (2) 242 eigenvectors found. (2) Block: 512 / 512 (2) 254 eigenvectors found. (2) Complementary block size: 16 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 504 eigenvectors found. (1) Complementary block size: 8 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 512 Use submatrix version of eigh solver. (1) Block: 512 / 512 (2) Block: 250 / 512 (2) 242 eigenvectors found. (2) Block: 512 / 512 (2) 254 eigenvectors found. (2) Complementary block size: 16 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 504 eigenvectors found. (1) Complementary block size: 8 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. Tree of FC basis block matrices: - (3864, 3768), data: False |-- (512, 504), data: False |-- (512, 504), data: False |-- (512, 8), data: (512, 16) @ (16, 8) |-- (262, 254), data: True |-- (250, 242), data: True |-- (512, 504), data: False |-- (512, 504), data: False |-- (512, 8), data: (512, 16) @ (16, 8) |-- (262, 254), data: True |-- (250, 242), data: True |-- (584, 568), data: False |-- (584, 568), data: False |-- (584, 25), data: (584, 41) @ (41, 25) |-- (84, 74), data: True |-- (250, 235), data: True |-- (250, 234), data: True |-- (584, 568), data: False |-- (584, 568), data: False |-- (584, 25), data: (584, 41) @ (41, 25) |-- (84, 74), data: True |-- (250, 235), data: True |-- (250, 234), data: True |-- (584, 568), data: False |-- (584, 568), data: False |-- (584, 25), data: (584, 41) @ (41, 25) |-- (84, 74), data: True |-- (250, 235), data: True |-- (250, 234), data: True |-- (1088, 1056), data: False |-- (1088, 24), data: (1088, 56) @ (56, 24) |-- (588, 556), data: False |-- (588, 52), data: (588, 84) @ (84, 52) |-- (88, 64), data: True |-- (250, 220), data: True |-- (250, 220), data: True |-- (500, 476), data: False |-- (500, 23), data: (500, 47) @ (47, 23) |-- (250, 227), data: True |-- (250, 226), data: True Max drift after symmetrization by symfc projector: 0.00000000 (zz) 0.00000000 (zz) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 13:46:52]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 13:46:53]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [1 1 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnnm (58) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 9.582389060000001 0.000000000000000 0.000000000000000 b 0.000000000000000 16.414177280000001 0.000000000000000 c 0.000000000000000 0.000000000000000 6.178818629999999 Atomic positions (fractional): 1 K 0.19854487608667 0.96460654029506 0.00000000000000 39.098 2 K 0.30145512391333 0.46460654029506 0.50000000000000 39.098 3 K 0.80145512391333 0.03539345970494 0.00000000000000 39.098 4 K 0.69854487608667 0.53539345970494 0.50000000000000 39.098 5 Mg 0.25023072297618 0.20241510237994 0.24679539972782 24.305 6 Mg 0.51799118763278 0.64229374570969 0.00000000000000 24.305 7 Mg 0.24976927702382 0.70241510237994 0.25320460027218 24.305 8 Mg 0.75023072297618 0.29758489762006 0.25320460027218 24.305 9 Mg 0.75023072297618 0.29758489762006 0.74679539972782 24.305 10 Mg 0.03767938016245 0.40835400244449 0.00000000000000 24.305 11 Mg 0.53767938016245 0.09164599755551 0.50000000000000 24.305 12 Mg 0.48200881236722 0.35770625429031 0.00000000000000 24.305 13 Mg 0.74976927702382 0.79758489762006 0.24679539972782 24.305 14 Mg 0.25023072297618 0.20241510237994 0.75320460027218 24.305 15 Mg 0.46232061983755 0.90835400244449 0.50000000000000 24.305 16 Mg 0.96232061983755 0.59164599755551 0.00000000000000 24.305 17 Mg 0.74976927702382 0.79758489762006 0.75320460027218 24.305 18 Mg 0.98200881236722 0.14229374570969 0.50000000000000 24.305 19 Mg 0.24976927702382 0.70241510237994 0.74679539972782 24.305 20 Mg 0.01799118763278 0.85770625429031 0.50000000000000 24.305 21 P 0.45689254520237 0.27783900957759 0.50000000000000 30.974 22 P 0.70834043550804 0.46347697732011 0.00000000000000 30.974 23 P 0.04603025232287 0.33358395010779 0.50000000000000 30.974 24 P 0.54310745479763 0.72216099042241 0.50000000000000 30.974 25 P 0.04310745479763 0.77783900957759 0.00000000000000 30.974 26 P 0.79165956449196 0.96347697732011 0.50000000000000 30.974 27 P 0.95689254520237 0.22216099042241 0.00000000000000 30.974 28 P 0.20834043550804 0.03652302267989 0.50000000000000 30.974 29 P 0.54603025232287 0.16641604989221 0.00000000000000 30.974 30 P 0.45396974767713 0.83358395010779 0.00000000000000 30.974 31 P 0.95396974767713 0.66641604989221 0.50000000000000 30.974 32 P 0.29165956449196 0.53652302267989 0.00000000000000 30.974 33 O 0.13237426489094 0.52073174956597 0.00000000000000 15.999 34 O 0.40762391867995 0.87829443211549 0.79661608820621 15.999 35 O 0.83704036405884 0.91019382313422 0.30239562531189 15.999 36 O 0.33704036405884 0.58980617686578 0.19760437468811 15.999 37 O 0.60071407897105 0.68319341644130 0.70792094669489 15.999 38 O 0.10071407897105 0.81680658355870 0.79207905330511 15.999 39 O 0.11740605397375 0.24538279149303 0.50000000000000 15.999 40 O 0.39928592102895 0.31680658355870 0.70792094669489 15.999 41 O 0.10071407897105 0.81680658355870 0.20792094669489 15.999 42 O 0.61798357491323 0.27265326582019 0.50000000000000 15.999 43 O 0.36762573510906 0.02073174956597 0.50000000000000 15.999 44 O 0.16295963594116 0.08980617686579 0.69760437468811 15.999 45 O 0.60664866093966 0.81099124249665 0.50000000000000 15.999 46 O 0.59237608132005 0.12170556788451 0.20338391179379 15.999 47 O 0.09237608132005 0.37829443211549 0.29661608820621 15.999 48 O 0.89928592102895 0.18319341644130 0.79207905330511 15.999 49 O 0.66295963594116 0.41019382313421 0.80239562531189 15.999 50 O 0.88201642508677 0.77265326582019 0.00000000000000 15.999 51 O 0.09237608132005 0.37829443211549 0.70338391179379 15.999 52 O 0.40762391867995 0.87829443211549 0.20338391179379 15.999 53 O 0.89928592102895 0.18319341644130 0.20792094669489 15.999 54 O 0.66295963594116 0.41019382313421 0.19760437468811 15.999 55 O 0.10664866093966 0.68900875750335 0.00000000000000 15.999 56 O 0.39335133906034 0.18900875750335 0.50000000000000 15.999 57 O 0.16295963594116 0.08980617686579 0.30239562531189 15.999 58 O 0.90762391867995 0.62170556788451 0.29661608820621 15.999 59 O 0.38259394602625 0.74538279149303 0.00000000000000 15.999 60 O 0.61532249312098 0.82017909691070 0.00000000000000 15.999 61 O 0.88259394602625 0.75461720850697 0.50000000000000 15.999 62 O 0.63703502980184 0.54601411063806 0.00000000000000 15.999 63 O 0.38201642508677 0.72734673417981 0.50000000000000 15.999 64 O 0.11532249312098 0.67982090308930 0.50000000000000 15.999 65 O 0.38467750687902 0.17982090308930 0.00000000000000 15.999 66 O 0.89335133906034 0.31099124249665 0.00000000000000 15.999 67 O 0.83704036405884 0.91019382313422 0.69760437468811 15.999 68 O 0.60071407897105 0.68319341644130 0.29207905330512 15.999 69 O 0.86296497019816 0.04601411063806 0.50000000000000 15.999 70 O 0.13703502980184 0.95398588936194 0.50000000000000 15.999 71 O 0.90762391867995 0.62170556788451 0.70338391179379 15.999 72 O 0.39928592102895 0.31680658355870 0.29207905330512 15.999 73 O 0.33704036405884 0.58980617686578 0.80239562531189 15.999 74 O 0.11798357491323 0.22734673417981 0.00000000000000 15.999 75 O 0.61740605397375 0.25461720850697 0.00000000000000 15.999 76 O 0.86762573510906 0.47926825043403 0.00000000000000 15.999 77 O 0.36296497019816 0.45398588936195 0.00000000000000 15.999 78 O 0.59237608132005 0.12170556788451 0.79661608820621 15.999 79 O 0.63237426489094 0.97926825043403 0.50000000000000 15.999 80 O 0.88467750687902 0.32017909691070 0.50000000000000 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 9.582389060000001 0.000000000000000 0.000000000000000 b 0.000000000000000 16.414177280000001 0.000000000000000 c 0.000000000000000 0.000000000000000 6.178818629999999 Atomic positions (fractional): 1 K 0.19854487608667 0.96460654029506 0.00000000000000 39.098 > 1 2 K 0.30145512391333 0.46460654029506 0.50000000000000 39.098 > 2 3 K 0.80145512391333 0.03539345970494 0.00000000000000 39.098 > 3 4 K 0.69854487608667 0.53539345970494 0.50000000000000 39.098 > 4 5 Mg 0.25023072297618 0.20241510237994 0.24679539972782 24.305 > 5 6 Mg 0.51799118763278 0.64229374570969 0.00000000000000 24.305 > 6 7 Mg 0.24976927702382 0.70241510237994 0.25320460027218 24.305 > 7 8 Mg 0.75023072297618 0.29758489762006 0.25320460027218 24.305 > 8 9 Mg 0.75023072297618 0.29758489762006 0.74679539972782 24.305 > 9 10 Mg 0.03767938016245 0.40835400244449 0.00000000000000 24.305 > 10 11 Mg 0.53767938016245 0.09164599755551 0.50000000000000 24.305 > 11 12 Mg 0.48200881236722 0.35770625429031 0.00000000000000 24.305 > 12 13 Mg 0.74976927702382 0.79758489762006 0.24679539972782 24.305 > 13 14 Mg 0.25023072297618 0.20241510237994 0.75320460027218 24.305 > 14 15 Mg 0.46232061983755 0.90835400244449 0.50000000000000 24.305 > 15 16 Mg 0.96232061983755 0.59164599755551 0.00000000000000 24.305 > 16 17 Mg 0.74976927702382 0.79758489762006 0.75320460027218 24.305 > 17 18 Mg 0.98200881236722 0.14229374570969 0.50000000000000 24.305 > 18 19 Mg 0.24976927702382 0.70241510237994 0.74679539972782 24.305 > 19 20 Mg 0.01799118763278 0.85770625429031 0.50000000000000 24.305 > 20 21 P 0.45689254520237 0.27783900957759 0.50000000000000 30.974 > 21 22 P 0.70834043550804 0.46347697732011 0.00000000000000 30.974 > 22 23 P 0.04603025232287 0.33358395010779 0.50000000000000 30.974 > 23 24 P 0.54310745479763 0.72216099042241 0.50000000000000 30.974 > 24 25 P 0.04310745479763 0.77783900957759 0.00000000000000 30.974 > 25 26 P 0.79165956449196 0.96347697732011 0.50000000000000 30.974 > 26 27 P 0.95689254520237 0.22216099042241 0.00000000000000 30.974 > 27 28 P 0.20834043550804 0.03652302267989 0.50000000000000 30.974 > 28 29 P 0.54603025232287 0.16641604989221 0.00000000000000 30.974 > 29 30 P 0.45396974767713 0.83358395010779 0.00000000000000 30.974 > 30 31 P 0.95396974767713 0.66641604989221 0.50000000000000 30.974 > 31 32 P 0.29165956449196 0.53652302267989 0.00000000000000 30.974 > 32 33 O 0.13237426489094 0.52073174956597 0.00000000000000 15.999 > 33 34 O 0.40762391867995 0.87829443211549 0.79661608820621 15.999 > 34 35 O 0.83704036405884 0.91019382313422 0.30239562531189 15.999 > 35 36 O 0.33704036405884 0.58980617686578 0.19760437468811 15.999 > 36 37 O 0.60071407897105 0.68319341644130 0.70792094669489 15.999 > 37 38 O 0.10071407897105 0.81680658355870 0.79207905330511 15.999 > 38 39 O 0.11740605397375 0.24538279149303 0.50000000000000 15.999 > 39 40 O 0.39928592102895 0.31680658355870 0.70792094669489 15.999 > 40 41 O 0.10071407897105 0.81680658355870 0.20792094669489 15.999 > 41 42 O 0.61798357491323 0.27265326582019 0.50000000000000 15.999 > 42 43 O 0.36762573510906 0.02073174956597 0.50000000000000 15.999 > 43 44 O 0.16295963594116 0.08980617686579 0.69760437468811 15.999 > 44 45 O 0.60664866093966 0.81099124249665 0.50000000000000 15.999 > 45 46 O 0.59237608132005 0.12170556788451 0.20338391179379 15.999 > 46 47 O 0.09237608132005 0.37829443211549 0.29661608820621 15.999 > 47 48 O 0.89928592102895 0.18319341644130 0.79207905330511 15.999 > 48 49 O 0.66295963594116 0.41019382313421 0.80239562531189 15.999 > 49 50 O 0.88201642508677 0.77265326582019 0.00000000000000 15.999 > 50 51 O 0.09237608132005 0.37829443211549 0.70338391179379 15.999 > 51 52 O 0.40762391867995 0.87829443211549 0.20338391179379 15.999 > 52 53 O 0.89928592102895 0.18319341644130 0.20792094669489 15.999 > 53 54 O 0.66295963594116 0.41019382313421 0.19760437468811 15.999 > 54 55 O 0.10664866093966 0.68900875750335 0.00000000000000 15.999 > 55 56 O 0.39335133906034 0.18900875750335 0.50000000000000 15.999 > 56 57 O 0.16295963594116 0.08980617686579 0.30239562531189 15.999 > 57 58 O 0.90762391867995 0.62170556788451 0.29661608820621 15.999 > 58 59 O 0.38259394602625 0.74538279149303 0.00000000000000 15.999 > 59 60 O 0.61532249312098 0.82017909691070 0.00000000000000 15.999 > 60 61 O 0.88259394602625 0.75461720850697 0.50000000000000 15.999 > 61 62 O 0.63703502980184 0.54601411063806 0.00000000000000 15.999 > 62 63 O 0.38201642508677 0.72734673417981 0.50000000000000 15.999 > 63 64 O 0.11532249312098 0.67982090308930 0.50000000000000 15.999 > 64 65 O 0.38467750687902 0.17982090308930 0.00000000000000 15.999 > 65 66 O 0.89335133906034 0.31099124249665 0.00000000000000 15.999 > 66 67 O 0.83704036405884 0.91019382313422 0.69760437468811 15.999 > 67 68 O 0.60071407897105 0.68319341644130 0.29207905330512 15.999 > 68 69 O 0.86296497019816 0.04601411063806 0.50000000000000 15.999 > 69 70 O 0.13703502980184 0.95398588936194 0.50000000000000 15.999 > 70 71 O 0.90762391867995 0.62170556788451 0.70338391179379 15.999 > 71 72 O 0.39928592102895 0.31680658355870 0.29207905330512 15.999 > 72 73 O 0.33704036405884 0.58980617686578 0.80239562531189 15.999 > 73 74 O 0.11798357491323 0.22734673417981 0.00000000000000 15.999 > 74 75 O 0.61740605397375 0.25461720850697 0.00000000000000 15.999 > 75 76 O 0.86762573510906 0.47926825043403 0.00000000000000 15.999 > 76 77 O 0.36296497019816 0.45398588936195 0.00000000000000 15.999 > 77 78 O 0.59237608132005 0.12170556788451 0.79661608820621 15.999 > 78 79 O 0.63237426489094 0.97926825043403 0.50000000000000 15.999 > 79 80 O 0.88467750687902 0.32017909691070 0.50000000000000 15.999 > 80 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.5864972 0.0000000 0.0000000 0.0000000 2.5558682 0.0000000 0.0000000 0.0000000 2.5689013 -------------------------- Born effective charges -------------------------- 1 K 1.0586769 -0.0294312 -0.0000000 -0.0823731 1.3272826 0.0000000 -0.0000000 -0.0000000 1.2642862 2 K 1.0586769 0.0294312 -0.0000000 0.0823731 1.3272826 0.0000000 -0.0000000 -0.0000000 1.2642862 3 K 1.0586769 -0.0294312 -0.0000000 -0.0823731 1.3272826 0.0000000 -0.0000000 -0.0000000 1.2642862 4 K 1.0586769 0.0294312 -0.0000000 0.0823731 1.3272826 0.0000000 -0.0000000 -0.0000000 1.2642862 5 Mg 2.3449749 -0.0192733 0.0078657 0.1073395 1.8324689 0.1338223 -0.0007061 0.0001786 2.0846237 6 Mg 2.0667557 -0.0787983 -0.0000000 -0.0391328 2.3441349 0.0000000 -0.0000000 -0.0000000 2.1156028 7 Mg 2.3449749 0.0192733 0.0078657 -0.1073395 1.8324689 -0.1338223 -0.0007061 -0.0001786 2.0846237 8 Mg 2.3449749 0.0192733 -0.0078657 -0.1073395 1.8324689 0.1338223 0.0007061 0.0001786 2.0846237 9 Mg 2.3449749 0.0192733 0.0078657 -0.1073395 1.8324689 -0.1338223 -0.0007061 -0.0001786 2.0846237 10 Mg 2.0344547 0.1805506 -0.0000000 0.2152684 2.2897755 0.0000000 -0.0000000 -0.0000000 2.1803241 11 Mg 2.0344547 -0.1805506 -0.0000000 -0.2152684 2.2897755 0.0000000 -0.0000000 -0.0000000 2.1803241 12 Mg 2.0667557 -0.0787983 -0.0000000 -0.0391328 2.3441349 0.0000000 -0.0000000 -0.0000000 2.1156028 13 Mg 2.3449749 -0.0192733 -0.0078657 0.1073395 1.8324689 -0.1338223 0.0007061 -0.0001786 2.0846237 14 Mg 2.3449749 -0.0192733 -0.0078657 0.1073395 1.8324689 -0.1338223 0.0007061 -0.0001786 2.0846237 15 Mg 2.0344547 -0.1805506 -0.0000000 -0.2152684 2.2897755 0.0000000 -0.0000000 -0.0000000 2.1803241 16 Mg 2.0344547 0.1805506 -0.0000000 0.2152684 2.2897755 0.0000000 -0.0000000 -0.0000000 2.1803241 17 Mg 2.3449749 -0.0192733 0.0078657 0.1073395 1.8324689 0.1338223 -0.0007061 0.0001786 2.0846237 18 Mg 2.0667557 0.0787983 -0.0000000 0.0391328 2.3441349 0.0000000 -0.0000000 -0.0000000 2.1156028 19 Mg 2.3449749 0.0192733 -0.0078657 -0.1073395 1.8324689 0.1338223 0.0007061 0.0001786 2.0846237 20 Mg 2.0667557 0.0787983 -0.0000000 0.0391328 2.3441349 0.0000000 -0.0000000 -0.0000000 2.1156028 21 P 3.2152876 0.1334201 -0.0000000 0.0745142 2.6021000 0.0000000 -0.0000000 -0.0000000 3.3324651 22 P 3.1991490 -0.0843014 -0.0000000 0.0143669 3.6348077 0.0000000 -0.0000000 -0.0000000 2.6377648 23 P 3.1558394 -0.1167603 -0.0000000 0.0243052 2.9326039 0.0000000 -0.0000000 -0.0000000 3.2933389 24 P 3.2152876 0.1334201 -0.0000000 0.0745142 2.6021000 0.0000000 -0.0000000 -0.0000000 3.3324651 25 P 3.2152876 -0.1334201 -0.0000000 -0.0745142 2.6021000 0.0000000 -0.0000000 -0.0000000 3.3324651 26 P 3.1991490 0.0843014 -0.0000000 -0.0143669 3.6348077 0.0000000 -0.0000000 -0.0000000 2.6377648 27 P 3.2152876 -0.1334201 -0.0000000 -0.0745142 2.6021000 0.0000000 -0.0000000 -0.0000000 3.3324651 28 P 3.1991490 0.0843014 -0.0000000 -0.0143669 3.6348077 0.0000000 -0.0000000 -0.0000000 2.6377648 29 P 3.1558394 0.1167603 -0.0000000 -0.0243052 2.9326039 0.0000000 -0.0000000 -0.0000000 3.2933389 30 P 3.1558394 0.1167603 -0.0000000 -0.0243052 2.9326039 0.0000000 -0.0000000 -0.0000000 3.2933389 31 P 3.1558394 -0.1167603 -0.0000000 0.0243052 2.9326039 0.0000000 -0.0000000 -0.0000000 3.2933389 32 P 3.1991490 -0.0843014 -0.0000000 0.0143669 3.6348077 0.0000000 -0.0000000 -0.0000000 2.6377648 33 O -2.4245848 -0.1912956 -0.0000000 -0.2167629 -1.5715762 0.0000000 -0.0000000 -0.0000000 -0.9756836 34 O -1.1727600 0.1593895 -0.0796492 0.1870818 -1.3497876 0.4517462 -0.0753663 0.4493963 -2.0253348 35 O -1.2830601 0.1469517 0.0905679 0.1312964 -1.8128209 -0.3723064 0.1226763 -0.4375019 -1.6640554 36 O -1.2830601 -0.1469517 -0.0905679 -0.1312964 -1.8128209 -0.3723064 -0.1226763 -0.4375019 -1.6640554 37 O -1.3031160 0.0108979 -0.1212975 0.0138771 -1.3080117 0.3563232 -0.1330146 0.3306242 -1.9776628 38 O -1.3031160 -0.0108979 0.1212975 -0.0138771 -1.3080117 0.3563232 0.1330146 0.3306242 -1.9776628 39 O -1.6086326 0.5101891 -0.0000000 0.4345777 -2.1043440 0.0000000 -0.0000000 -0.0000000 -1.3294839 40 O -1.3031160 0.0108979 0.1212975 0.0138771 -1.3080117 -0.3563232 0.1330146 -0.3306242 -1.9776628 41 O -1.3031160 -0.0108979 -0.1212975 -0.0138771 -1.3080117 -0.3563232 -0.1330146 -0.3306242 -1.9776628 42 O -2.4300769 -0.0920760 -0.0000000 -0.1039399 -0.9773290 0.0000000 -0.0000000 -0.0000000 -1.4677860 43 O -2.4245848 0.1912956 -0.0000000 0.2167629 -1.5715762 0.0000000 -0.0000000 -0.0000000 -0.9756836 44 O -1.2830601 0.1469517 0.0905679 0.1312964 -1.8128209 -0.3723064 0.1226763 -0.4375019 -1.6640554 45 O -1.5076664 -0.3274794 -0.0000000 -0.2961243 -1.9192102 0.0000000 -0.0000000 -0.0000000 -1.3418471 46 O -1.1727600 0.1593895 -0.0796492 0.1870818 -1.3497876 0.4517462 -0.0753663 0.4493963 -2.0253348 47 O -1.1727600 -0.1593895 0.0796492 -0.1870818 -1.3497876 0.4517462 0.0753663 0.4493963 -2.0253348 48 O -1.3031160 -0.0108979 -0.1212975 -0.0138771 -1.3080117 -0.3563232 -0.1330146 -0.3306242 -1.9776628 49 O -1.2830601 -0.1469517 -0.0905679 -0.1312964 -1.8128209 -0.3723064 -0.1226763 -0.4375019 -1.6640554 50 O -2.4300769 0.0920760 -0.0000000 0.1039399 -0.9773290 0.0000000 -0.0000000 -0.0000000 -1.4677860 51 O -1.1727600 -0.1593895 -0.0796492 -0.1870818 -1.3497876 -0.4517462 -0.0753663 -0.4493963 -2.0253348 52 O -1.1727600 0.1593895 0.0796492 0.1870818 -1.3497876 -0.4517462 0.0753663 -0.4493963 -2.0253348 53 O -1.3031160 -0.0108979 0.1212975 -0.0138771 -1.3080117 0.3563232 0.1330146 0.3306242 -1.9776628 54 O -1.2830601 -0.1469517 0.0905679 -0.1312964 -1.8128209 0.3723064 0.1226763 0.4375019 -1.6640554 55 O -1.5076664 0.3274794 -0.0000000 0.2961243 -1.9192102 0.0000000 -0.0000000 -0.0000000 -1.3418471 56 O -1.5076664 -0.3274794 -0.0000000 -0.2961243 -1.9192102 0.0000000 -0.0000000 -0.0000000 -1.3418471 57 O -1.2830601 0.1469517 -0.0905679 0.1312964 -1.8128209 0.3723064 -0.1226763 0.4375019 -1.6640554 58 O -1.1727600 -0.1593895 -0.0796492 -0.1870818 -1.3497876 -0.4517462 -0.0753663 -0.4493963 -2.0253348 59 O -1.6086326 -0.5101891 -0.0000000 -0.4345777 -2.1043440 0.0000000 -0.0000000 -0.0000000 -1.3294839 60 O -2.4078544 0.1850535 -0.0000000 0.1510292 -1.0345141 0.0000000 -0.0000000 -0.0000000 -1.4941191 61 O -1.6086326 0.5101891 -0.0000000 0.4345777 -2.1043440 0.0000000 -0.0000000 -0.0000000 -1.3294839 62 O -1.5234258 0.6154882 -0.0000000 0.6079887 -2.2474286 0.0000000 -0.0000000 -0.0000000 -1.0500035 63 O -2.4300769 -0.0920760 -0.0000000 -0.1039399 -0.9773290 0.0000000 -0.0000000 -0.0000000 -1.4677860 64 O -2.4078544 -0.1850535 -0.0000000 -0.1510292 -1.0345141 0.0000000 -0.0000000 -0.0000000 -1.4941191 65 O -2.4078544 0.1850535 -0.0000000 0.1510292 -1.0345141 0.0000000 -0.0000000 -0.0000000 -1.4941191 66 O -1.5076664 0.3274794 -0.0000000 0.2961243 -1.9192102 0.0000000 -0.0000000 -0.0000000 -1.3418471 67 O -1.2830601 0.1469517 -0.0905679 0.1312964 -1.8128209 0.3723064 -0.1226763 0.4375019 -1.6640554 68 O -1.3031160 0.0108979 0.1212975 0.0138771 -1.3080117 -0.3563232 0.1330146 -0.3306242 -1.9776628 69 O -1.5234258 -0.6154882 -0.0000000 -0.6079887 -2.2474286 0.0000000 -0.0000000 -0.0000000 -1.0500035 70 O -1.5234258 -0.6154882 -0.0000000 -0.6079887 -2.2474286 0.0000000 -0.0000000 -0.0000000 -1.0500035 71 O -1.1727600 -0.1593895 0.0796492 -0.1870818 -1.3497876 0.4517462 0.0753663 0.4493963 -2.0253348 72 O -1.3031160 0.0108979 -0.1212975 0.0138771 -1.3080117 0.3563232 -0.1330146 0.3306242 -1.9776628 73 O -1.2830601 -0.1469517 0.0905679 -0.1312964 -1.8128209 0.3723064 0.1226763 0.4375019 -1.6640554 74 O -2.4300769 0.0920760 -0.0000000 0.1039399 -0.9773290 0.0000000 -0.0000000 -0.0000000 -1.4677860 75 O -1.6086326 -0.5101891 -0.0000000 -0.4345777 -2.1043440 0.0000000 -0.0000000 -0.0000000 -1.3294839 76 O -2.4245848 -0.1912956 -0.0000000 -0.2167629 -1.5715762 0.0000000 -0.0000000 -0.0000000 -0.9756836 77 O -1.5234258 0.6154882 -0.0000000 0.6079887 -2.2474286 0.0000000 -0.0000000 -0.0000000 -1.0500035 78 O -1.1727600 0.1593895 0.0796492 0.1870818 -1.3497876 -0.4517462 0.0753663 -0.4493963 -2.0253348 79 O -2.4245848 0.1912956 -0.0000000 0.2167629 -1.5715762 0.0000000 -0.0000000 -0.0000000 -0.9756836 80 O -2.4078544 -0.1850535 -0.0000000 -0.1510292 -1.0345141 0.0000000 -0.0000000 -0.0000000 -1.4941191 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 5, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 6, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 10, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 21, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 22, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 23, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 33, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 34, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 35, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 37, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 39, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 42, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 45, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 60, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 62, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000000 (yyy) -0.00000000 (yyy) -0.00000000 (yyy) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000000 (yy) -0.00000000 (yy) 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 13:47:36]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 13:47:36]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [1 1 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnnm (58) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 9.582389060000001 0.000000000000000 0.000000000000000 b 0.000000000000000 16.414177280000001 0.000000000000000 c 0.000000000000000 0.000000000000000 6.178818629999999 Atomic positions (fractional): 1 K 0.19854487608667 0.96460654029506 0.00000000000000 39.098 2 K 0.30145512391333 0.46460654029506 0.50000000000000 39.098 3 K 0.80145512391333 0.03539345970494 0.00000000000000 39.098 4 K 0.69854487608667 0.53539345970494 0.50000000000000 39.098 5 Mg 0.25023072297618 0.20241510237994 0.24679539972782 24.305 6 Mg 0.51799118763278 0.64229374570969 0.00000000000000 24.305 7 Mg 0.24976927702382 0.70241510237994 0.25320460027218 24.305 8 Mg 0.75023072297618 0.29758489762006 0.25320460027218 24.305 9 Mg 0.75023072297618 0.29758489762006 0.74679539972782 24.305 10 Mg 0.03767938016245 0.40835400244449 0.00000000000000 24.305 11 Mg 0.53767938016245 0.09164599755551 0.50000000000000 24.305 12 Mg 0.48200881236722 0.35770625429031 0.00000000000000 24.305 13 Mg 0.74976927702382 0.79758489762006 0.24679539972782 24.305 14 Mg 0.25023072297618 0.20241510237994 0.75320460027218 24.305 15 Mg 0.46232061983755 0.90835400244449 0.50000000000000 24.305 16 Mg 0.96232061983755 0.59164599755551 0.00000000000000 24.305 17 Mg 0.74976927702382 0.79758489762006 0.75320460027218 24.305 18 Mg 0.98200881236722 0.14229374570969 0.50000000000000 24.305 19 Mg 0.24976927702382 0.70241510237994 0.74679539972782 24.305 20 Mg 0.01799118763278 0.85770625429031 0.50000000000000 24.305 21 P 0.45689254520237 0.27783900957759 0.50000000000000 30.974 22 P 0.70834043550804 0.46347697732011 0.00000000000000 30.974 23 P 0.04603025232287 0.33358395010779 0.50000000000000 30.974 24 P 0.54310745479763 0.72216099042241 0.50000000000000 30.974 25 P 0.04310745479763 0.77783900957759 0.00000000000000 30.974 26 P 0.79165956449196 0.96347697732011 0.50000000000000 30.974 27 P 0.95689254520237 0.22216099042241 0.00000000000000 30.974 28 P 0.20834043550804 0.03652302267989 0.50000000000000 30.974 29 P 0.54603025232287 0.16641604989221 0.00000000000000 30.974 30 P 0.45396974767713 0.83358395010779 0.00000000000000 30.974 31 P 0.95396974767713 0.66641604989221 0.50000000000000 30.974 32 P 0.29165956449196 0.53652302267989 0.00000000000000 30.974 33 O 0.13237426489094 0.52073174956597 0.00000000000000 15.999 34 O 0.40762391867995 0.87829443211549 0.79661608820621 15.999 35 O 0.83704036405884 0.91019382313422 0.30239562531189 15.999 36 O 0.33704036405884 0.58980617686578 0.19760437468811 15.999 37 O 0.60071407897105 0.68319341644130 0.70792094669489 15.999 38 O 0.10071407897105 0.81680658355870 0.79207905330511 15.999 39 O 0.11740605397375 0.24538279149303 0.50000000000000 15.999 40 O 0.39928592102895 0.31680658355870 0.70792094669489 15.999 41 O 0.10071407897105 0.81680658355870 0.20792094669489 15.999 42 O 0.61798357491323 0.27265326582019 0.50000000000000 15.999 43 O 0.36762573510906 0.02073174956597 0.50000000000000 15.999 44 O 0.16295963594116 0.08980617686579 0.69760437468811 15.999 45 O 0.60664866093966 0.81099124249665 0.50000000000000 15.999 46 O 0.59237608132005 0.12170556788451 0.20338391179379 15.999 47 O 0.09237608132005 0.37829443211549 0.29661608820621 15.999 48 O 0.89928592102895 0.18319341644130 0.79207905330511 15.999 49 O 0.66295963594116 0.41019382313421 0.80239562531189 15.999 50 O 0.88201642508677 0.77265326582019 0.00000000000000 15.999 51 O 0.09237608132005 0.37829443211549 0.70338391179379 15.999 52 O 0.40762391867995 0.87829443211549 0.20338391179379 15.999 53 O 0.89928592102895 0.18319341644130 0.20792094669489 15.999 54 O 0.66295963594116 0.41019382313421 0.19760437468811 15.999 55 O 0.10664866093966 0.68900875750335 0.00000000000000 15.999 56 O 0.39335133906034 0.18900875750335 0.50000000000000 15.999 57 O 0.16295963594116 0.08980617686579 0.30239562531189 15.999 58 O 0.90762391867995 0.62170556788451 0.29661608820621 15.999 59 O 0.38259394602625 0.74538279149303 0.00000000000000 15.999 60 O 0.61532249312098 0.82017909691070 0.00000000000000 15.999 61 O 0.88259394602625 0.75461720850697 0.50000000000000 15.999 62 O 0.63703502980184 0.54601411063806 0.00000000000000 15.999 63 O 0.38201642508677 0.72734673417981 0.50000000000000 15.999 64 O 0.11532249312098 0.67982090308930 0.50000000000000 15.999 65 O 0.38467750687902 0.17982090308930 0.00000000000000 15.999 66 O 0.89335133906034 0.31099124249665 0.00000000000000 15.999 67 O 0.83704036405884 0.91019382313422 0.69760437468811 15.999 68 O 0.60071407897105 0.68319341644130 0.29207905330512 15.999 69 O 0.86296497019816 0.04601411063806 0.50000000000000 15.999 70 O 0.13703502980184 0.95398588936194 0.50000000000000 15.999 71 O 0.90762391867995 0.62170556788451 0.70338391179379 15.999 72 O 0.39928592102895 0.31680658355870 0.29207905330512 15.999 73 O 0.33704036405884 0.58980617686578 0.80239562531189 15.999 74 O 0.11798357491323 0.22734673417981 0.00000000000000 15.999 75 O 0.61740605397375 0.25461720850697 0.00000000000000 15.999 76 O 0.86762573510906 0.47926825043403 0.00000000000000 15.999 77 O 0.36296497019816 0.45398588936195 0.00000000000000 15.999 78 O 0.59237608132005 0.12170556788451 0.79661608820621 15.999 79 O 0.63237426489094 0.97926825043403 0.50000000000000 15.999 80 O 0.88467750687902 0.32017909691070 0.50000000000000 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 9.582389060000001 0.000000000000000 0.000000000000000 b 0.000000000000000 16.414177280000001 0.000000000000000 c 0.000000000000000 0.000000000000000 6.178818629999999 Atomic positions (fractional): 1 K 0.19854487608667 0.96460654029506 0.00000000000000 39.098 > 1 2 K 0.30145512391333 0.46460654029506 0.50000000000000 39.098 > 2 3 K 0.80145512391333 0.03539345970494 0.00000000000000 39.098 > 3 4 K 0.69854487608667 0.53539345970494 0.50000000000000 39.098 > 4 5 Mg 0.25023072297618 0.20241510237994 0.24679539972782 24.305 > 5 6 Mg 0.51799118763278 0.64229374570969 0.00000000000000 24.305 > 6 7 Mg 0.24976927702382 0.70241510237994 0.25320460027218 24.305 > 7 8 Mg 0.75023072297618 0.29758489762006 0.25320460027218 24.305 > 8 9 Mg 0.75023072297618 0.29758489762006 0.74679539972782 24.305 > 9 10 Mg 0.03767938016245 0.40835400244449 0.00000000000000 24.305 > 10 11 Mg 0.53767938016245 0.09164599755551 0.50000000000000 24.305 > 11 12 Mg 0.48200881236722 0.35770625429031 0.00000000000000 24.305 > 12 13 Mg 0.74976927702382 0.79758489762006 0.24679539972782 24.305 > 13 14 Mg 0.25023072297618 0.20241510237994 0.75320460027218 24.305 > 14 15 Mg 0.46232061983755 0.90835400244449 0.50000000000000 24.305 > 15 16 Mg 0.96232061983755 0.59164599755551 0.00000000000000 24.305 > 16 17 Mg 0.74976927702382 0.79758489762006 0.75320460027218 24.305 > 17 18 Mg 0.98200881236722 0.14229374570969 0.50000000000000 24.305 > 18 19 Mg 0.24976927702382 0.70241510237994 0.74679539972782 24.305 > 19 20 Mg 0.01799118763278 0.85770625429031 0.50000000000000 24.305 > 20 21 P 0.45689254520237 0.27783900957759 0.50000000000000 30.974 > 21 22 P 0.70834043550804 0.46347697732011 0.00000000000000 30.974 > 22 23 P 0.04603025232287 0.33358395010779 0.50000000000000 30.974 > 23 24 P 0.54310745479763 0.72216099042241 0.50000000000000 30.974 > 24 25 P 0.04310745479763 0.77783900957759 0.00000000000000 30.974 > 25 26 P 0.79165956449196 0.96347697732011 0.50000000000000 30.974 > 26 27 P 0.95689254520237 0.22216099042241 0.00000000000000 30.974 > 27 28 P 0.20834043550804 0.03652302267989 0.50000000000000 30.974 > 28 29 P 0.54603025232287 0.16641604989221 0.00000000000000 30.974 > 29 30 P 0.45396974767713 0.83358395010779 0.00000000000000 30.974 > 30 31 P 0.95396974767713 0.66641604989221 0.50000000000000 30.974 > 31 32 P 0.29165956449196 0.53652302267989 0.00000000000000 30.974 > 32 33 O 0.13237426489094 0.52073174956597 0.00000000000000 15.999 > 33 34 O 0.40762391867995 0.87829443211549 0.79661608820621 15.999 > 34 35 O 0.83704036405884 0.91019382313422 0.30239562531189 15.999 > 35 36 O 0.33704036405884 0.58980617686578 0.19760437468811 15.999 > 36 37 O 0.60071407897105 0.68319341644130 0.70792094669489 15.999 > 37 38 O 0.10071407897105 0.81680658355870 0.79207905330511 15.999 > 38 39 O 0.11740605397375 0.24538279149303 0.50000000000000 15.999 > 39 40 O 0.39928592102895 0.31680658355870 0.70792094669489 15.999 > 40 41 O 0.10071407897105 0.81680658355870 0.20792094669489 15.999 > 41 42 O 0.61798357491323 0.27265326582019 0.50000000000000 15.999 > 42 43 O 0.36762573510906 0.02073174956597 0.50000000000000 15.999 > 43 44 O 0.16295963594116 0.08980617686579 0.69760437468811 15.999 > 44 45 O 0.60664866093966 0.81099124249665 0.50000000000000 15.999 > 45 46 O 0.59237608132005 0.12170556788451 0.20338391179379 15.999 > 46 47 O 0.09237608132005 0.37829443211549 0.29661608820621 15.999 > 47 48 O 0.89928592102895 0.18319341644130 0.79207905330511 15.999 > 48 49 O 0.66295963594116 0.41019382313421 0.80239562531189 15.999 > 49 50 O 0.88201642508677 0.77265326582019 0.00000000000000 15.999 > 50 51 O 0.09237608132005 0.37829443211549 0.70338391179379 15.999 > 51 52 O 0.40762391867995 0.87829443211549 0.20338391179379 15.999 > 52 53 O 0.89928592102895 0.18319341644130 0.20792094669489 15.999 > 53 54 O 0.66295963594116 0.41019382313421 0.19760437468811 15.999 > 54 55 O 0.10664866093966 0.68900875750335 0.00000000000000 15.999 > 55 56 O 0.39335133906034 0.18900875750335 0.50000000000000 15.999 > 56 57 O 0.16295963594116 0.08980617686579 0.30239562531189 15.999 > 57 58 O 0.90762391867995 0.62170556788451 0.29661608820621 15.999 > 58 59 O 0.38259394602625 0.74538279149303 0.00000000000000 15.999 > 59 60 O 0.61532249312098 0.82017909691070 0.00000000000000 15.999 > 60 61 O 0.88259394602625 0.75461720850697 0.50000000000000 15.999 > 61 62 O 0.63703502980184 0.54601411063806 0.00000000000000 15.999 > 62 63 O 0.38201642508677 0.72734673417981 0.50000000000000 15.999 > 63 64 O 0.11532249312098 0.67982090308930 0.50000000000000 15.999 > 64 65 O 0.38467750687902 0.17982090308930 0.00000000000000 15.999 > 65 66 O 0.89335133906034 0.31099124249665 0.00000000000000 15.999 > 66 67 O 0.83704036405884 0.91019382313422 0.69760437468811 15.999 > 67 68 O 0.60071407897105 0.68319341644130 0.29207905330512 15.999 > 68 69 O 0.86296497019816 0.04601411063806 0.50000000000000 15.999 > 69 70 O 0.13703502980184 0.95398588936194 0.50000000000000 15.999 > 70 71 O 0.90762391867995 0.62170556788451 0.70338391179379 15.999 > 71 72 O 0.39928592102895 0.31680658355870 0.29207905330512 15.999 > 72 73 O 0.33704036405884 0.58980617686578 0.80239562531189 15.999 > 73 74 O 0.11798357491323 0.22734673417981 0.00000000000000 15.999 > 74 75 O 0.61740605397375 0.25461720850697 0.00000000000000 15.999 > 75 76 O 0.86762573510906 0.47926825043403 0.00000000000000 15.999 > 76 77 O 0.36296497019816 0.45398588936195 0.00000000000000 15.999 > 77 78 O 0.59237608132005 0.12170556788451 0.79661608820621 15.999 > 78 79 O 0.63237426489094 0.97926825043403 0.50000000000000 15.999 > 79 80 O 0.88467750687902 0.32017909691070 0.50000000000000 15.999 > 80 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 2.5864972 0.0000000 0.0000000 0.0000000 2.5558682 0.0000000 0.0000000 0.0000000 2.5689013 -------------------------- Born effective charges -------------------------- 1 K 1.0586769 -0.0294312 -0.0000000 -0.0823731 1.3272826 0.0000000 -0.0000000 -0.0000000 1.2642862 2 K 1.0586769 0.0294312 -0.0000000 0.0823731 1.3272826 0.0000000 -0.0000000 -0.0000000 1.2642862 3 K 1.0586769 -0.0294312 -0.0000000 -0.0823731 1.3272826 0.0000000 -0.0000000 -0.0000000 1.2642862 4 K 1.0586769 0.0294312 -0.0000000 0.0823731 1.3272826 0.0000000 -0.0000000 -0.0000000 1.2642862 5 Mg 2.3449749 -0.0192733 0.0078657 0.1073395 1.8324689 0.1338223 -0.0007061 0.0001786 2.0846237 6 Mg 2.0667557 -0.0787983 -0.0000000 -0.0391328 2.3441349 0.0000000 -0.0000000 -0.0000000 2.1156028 7 Mg 2.3449749 0.0192733 0.0078657 -0.1073395 1.8324689 -0.1338223 -0.0007061 -0.0001786 2.0846237 8 Mg 2.3449749 0.0192733 -0.0078657 -0.1073395 1.8324689 0.1338223 0.0007061 0.0001786 2.0846237 9 Mg 2.3449749 0.0192733 0.0078657 -0.1073395 1.8324689 -0.1338223 -0.0007061 -0.0001786 2.0846237 10 Mg 2.0344547 0.1805506 -0.0000000 0.2152684 2.2897755 0.0000000 -0.0000000 -0.0000000 2.1803241 11 Mg 2.0344547 -0.1805506 -0.0000000 -0.2152684 2.2897755 0.0000000 -0.0000000 -0.0000000 2.1803241 12 Mg 2.0667557 -0.0787983 -0.0000000 -0.0391328 2.3441349 0.0000000 -0.0000000 -0.0000000 2.1156028 13 Mg 2.3449749 -0.0192733 -0.0078657 0.1073395 1.8324689 -0.1338223 0.0007061 -0.0001786 2.0846237 14 Mg 2.3449749 -0.0192733 -0.0078657 0.1073395 1.8324689 -0.1338223 0.0007061 -0.0001786 2.0846237 15 Mg 2.0344547 -0.1805506 -0.0000000 -0.2152684 2.2897755 0.0000000 -0.0000000 -0.0000000 2.1803241 16 Mg 2.0344547 0.1805506 -0.0000000 0.2152684 2.2897755 0.0000000 -0.0000000 -0.0000000 2.1803241 17 Mg 2.3449749 -0.0192733 0.0078657 0.1073395 1.8324689 0.1338223 -0.0007061 0.0001786 2.0846237 18 Mg 2.0667557 0.0787983 -0.0000000 0.0391328 2.3441349 0.0000000 -0.0000000 -0.0000000 2.1156028 19 Mg 2.3449749 0.0192733 -0.0078657 -0.1073395 1.8324689 0.1338223 0.0007061 0.0001786 2.0846237 20 Mg 2.0667557 0.0787983 -0.0000000 0.0391328 2.3441349 0.0000000 -0.0000000 -0.0000000 2.1156028 21 P 3.2152876 0.1334201 -0.0000000 0.0745142 2.6021000 0.0000000 -0.0000000 -0.0000000 3.3324651 22 P 3.1991490 -0.0843014 -0.0000000 0.0143669 3.6348077 0.0000000 -0.0000000 -0.0000000 2.6377648 23 P 3.1558394 -0.1167603 -0.0000000 0.0243052 2.9326039 0.0000000 -0.0000000 -0.0000000 3.2933389 24 P 3.2152876 0.1334201 -0.0000000 0.0745142 2.6021000 0.0000000 -0.0000000 -0.0000000 3.3324651 25 P 3.2152876 -0.1334201 -0.0000000 -0.0745142 2.6021000 0.0000000 -0.0000000 -0.0000000 3.3324651 26 P 3.1991490 0.0843014 -0.0000000 -0.0143669 3.6348077 0.0000000 -0.0000000 -0.0000000 2.6377648 27 P 3.2152876 -0.1334201 -0.0000000 -0.0745142 2.6021000 0.0000000 -0.0000000 -0.0000000 3.3324651 28 P 3.1991490 0.0843014 -0.0000000 -0.0143669 3.6348077 0.0000000 -0.0000000 -0.0000000 2.6377648 29 P 3.1558394 0.1167603 -0.0000000 -0.0243052 2.9326039 0.0000000 -0.0000000 -0.0000000 3.2933389 30 P 3.1558394 0.1167603 -0.0000000 -0.0243052 2.9326039 0.0000000 -0.0000000 -0.0000000 3.2933389 31 P 3.1558394 -0.1167603 -0.0000000 0.0243052 2.9326039 0.0000000 -0.0000000 -0.0000000 3.2933389 32 P 3.1991490 -0.0843014 -0.0000000 0.0143669 3.6348077 0.0000000 -0.0000000 -0.0000000 2.6377648 33 O -2.4245848 -0.1912956 -0.0000000 -0.2167629 -1.5715762 0.0000000 -0.0000000 -0.0000000 -0.9756836 34 O -1.1727600 0.1593895 -0.0796492 0.1870818 -1.3497876 0.4517462 -0.0753663 0.4493963 -2.0253348 35 O -1.2830601 0.1469517 0.0905679 0.1312964 -1.8128209 -0.3723064 0.1226763 -0.4375019 -1.6640554 36 O -1.2830601 -0.1469517 -0.0905679 -0.1312964 -1.8128209 -0.3723064 -0.1226763 -0.4375019 -1.6640554 37 O -1.3031160 0.0108979 -0.1212975 0.0138771 -1.3080117 0.3563232 -0.1330146 0.3306242 -1.9776628 38 O -1.3031160 -0.0108979 0.1212975 -0.0138771 -1.3080117 0.3563232 0.1330146 0.3306242 -1.9776628 39 O -1.6086326 0.5101891 -0.0000000 0.4345777 -2.1043440 0.0000000 -0.0000000 -0.0000000 -1.3294839 40 O -1.3031160 0.0108979 0.1212975 0.0138771 -1.3080117 -0.3563232 0.1330146 -0.3306242 -1.9776628 41 O -1.3031160 -0.0108979 -0.1212975 -0.0138771 -1.3080117 -0.3563232 -0.1330146 -0.3306242 -1.9776628 42 O -2.4300769 -0.0920760 -0.0000000 -0.1039399 -0.9773290 0.0000000 -0.0000000 -0.0000000 -1.4677860 43 O -2.4245848 0.1912956 -0.0000000 0.2167629 -1.5715762 0.0000000 -0.0000000 -0.0000000 -0.9756836 44 O -1.2830601 0.1469517 0.0905679 0.1312964 -1.8128209 -0.3723064 0.1226763 -0.4375019 -1.6640554 45 O -1.5076664 -0.3274794 -0.0000000 -0.2961243 -1.9192102 0.0000000 -0.0000000 -0.0000000 -1.3418471 46 O -1.1727600 0.1593895 -0.0796492 0.1870818 -1.3497876 0.4517462 -0.0753663 0.4493963 -2.0253348 47 O -1.1727600 -0.1593895 0.0796492 -0.1870818 -1.3497876 0.4517462 0.0753663 0.4493963 -2.0253348 48 O -1.3031160 -0.0108979 -0.1212975 -0.0138771 -1.3080117 -0.3563232 -0.1330146 -0.3306242 -1.9776628 49 O -1.2830601 -0.1469517 -0.0905679 -0.1312964 -1.8128209 -0.3723064 -0.1226763 -0.4375019 -1.6640554 50 O -2.4300769 0.0920760 -0.0000000 0.1039399 -0.9773290 0.0000000 -0.0000000 -0.0000000 -1.4677860 51 O -1.1727600 -0.1593895 -0.0796492 -0.1870818 -1.3497876 -0.4517462 -0.0753663 -0.4493963 -2.0253348 52 O -1.1727600 0.1593895 0.0796492 0.1870818 -1.3497876 -0.4517462 0.0753663 -0.4493963 -2.0253348 53 O -1.3031160 -0.0108979 0.1212975 -0.0138771 -1.3080117 0.3563232 0.1330146 0.3306242 -1.9776628 54 O -1.2830601 -0.1469517 0.0905679 -0.1312964 -1.8128209 0.3723064 0.1226763 0.4375019 -1.6640554 55 O -1.5076664 0.3274794 -0.0000000 0.2961243 -1.9192102 0.0000000 -0.0000000 -0.0000000 -1.3418471 56 O -1.5076664 -0.3274794 -0.0000000 -0.2961243 -1.9192102 0.0000000 -0.0000000 -0.0000000 -1.3418471 57 O -1.2830601 0.1469517 -0.0905679 0.1312964 -1.8128209 0.3723064 -0.1226763 0.4375019 -1.6640554 58 O -1.1727600 -0.1593895 -0.0796492 -0.1870818 -1.3497876 -0.4517462 -0.0753663 -0.4493963 -2.0253348 59 O -1.6086326 -0.5101891 -0.0000000 -0.4345777 -2.1043440 0.0000000 -0.0000000 -0.0000000 -1.3294839 60 O -2.4078544 0.1850535 -0.0000000 0.1510292 -1.0345141 0.0000000 -0.0000000 -0.0000000 -1.4941191 61 O -1.6086326 0.5101891 -0.0000000 0.4345777 -2.1043440 0.0000000 -0.0000000 -0.0000000 -1.3294839 62 O -1.5234258 0.6154882 -0.0000000 0.6079887 -2.2474286 0.0000000 -0.0000000 -0.0000000 -1.0500035 63 O -2.4300769 -0.0920760 -0.0000000 -0.1039399 -0.9773290 0.0000000 -0.0000000 -0.0000000 -1.4677860 64 O -2.4078544 -0.1850535 -0.0000000 -0.1510292 -1.0345141 0.0000000 -0.0000000 -0.0000000 -1.4941191 65 O -2.4078544 0.1850535 -0.0000000 0.1510292 -1.0345141 0.0000000 -0.0000000 -0.0000000 -1.4941191 66 O -1.5076664 0.3274794 -0.0000000 0.2961243 -1.9192102 0.0000000 -0.0000000 -0.0000000 -1.3418471 67 O -1.2830601 0.1469517 -0.0905679 0.1312964 -1.8128209 0.3723064 -0.1226763 0.4375019 -1.6640554 68 O -1.3031160 0.0108979 0.1212975 0.0138771 -1.3080117 -0.3563232 0.1330146 -0.3306242 -1.9776628 69 O -1.5234258 -0.6154882 -0.0000000 -0.6079887 -2.2474286 0.0000000 -0.0000000 -0.0000000 -1.0500035 70 O -1.5234258 -0.6154882 -0.0000000 -0.6079887 -2.2474286 0.0000000 -0.0000000 -0.0000000 -1.0500035 71 O -1.1727600 -0.1593895 0.0796492 -0.1870818 -1.3497876 0.4517462 0.0753663 0.4493963 -2.0253348 72 O -1.3031160 0.0108979 -0.1212975 0.0138771 -1.3080117 0.3563232 -0.1330146 0.3306242 -1.9776628 73 O -1.2830601 -0.1469517 0.0905679 -0.1312964 -1.8128209 0.3723064 0.1226763 0.4375019 -1.6640554 74 O -2.4300769 0.0920760 -0.0000000 0.1039399 -0.9773290 0.0000000 -0.0000000 -0.0000000 -1.4677860 75 O -1.6086326 -0.5101891 -0.0000000 -0.4345777 -2.1043440 0.0000000 -0.0000000 -0.0000000 -1.3294839 76 O -2.4245848 -0.1912956 -0.0000000 -0.2167629 -1.5715762 0.0000000 -0.0000000 -0.0000000 -0.9756836 77 O -1.5234258 0.6154882 -0.0000000 0.6079887 -2.2474286 0.0000000 -0.0000000 -0.0000000 -1.0500035 78 O -1.1727600 0.1593895 0.0796492 0.1870818 -1.3497876 -0.4517462 0.0753663 -0.4493963 -2.0253348 79 O -2.4245848 0.1912956 -0.0000000 0.2167629 -1.5715762 0.0000000 -0.0000000 -0.0000000 -0.9756836 80 O -2.4078544 -0.1850535 -0.0000000 -0.1510292 -1.0345141 0.0000000 -0.0000000 -0.0000000 -1.4941191 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000000 (yyy) -0.00000000 (yyy) -0.00000000 (yyy) Max drift of fc2: 0.00000000 (zz) 0.00000000 (zz) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 5 3 8 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.42, Number of G-points: 305, Lambda: 0.07 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/30) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 30 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 1.926 ( 0.000 0.000 0.000) 0.000 2.088 ( 0.000 0.000 0.000) 0.000 2.265 ( 0.000 0.000 0.000) 0.000 2.336 ( 0.000 0.000 0.000) 0.000 2.469 ( 0.000 0.000 0.000) 0.000 2.480 ( 0.000 0.000 0.000) 0.000 2.563 ( 0.000 0.000 0.000) 0.000 2.581 ( 0.000 0.000 0.000) 0.000 2.683 ( 0.000 0.000 0.000) 0.000 2.976 ( 0.000 0.000 0.000) 0.000 3.061 ( 0.000 0.000 0.000) 0.000 3.174 ( 0.000 0.000 0.000) 0.000 3.232 ( 0.000 0.000 0.000) 0.000 3.249 ( 0.000 0.000 0.000) 0.000 3.327 ( 0.000 0.000 0.000) 0.000 3.445 ( 0.000 0.000 0.000) 0.000 3.455 ( 0.000 0.000 0.000) 0.000 3.463 ( 0.000 0.000 0.000) 0.000 3.686 ( 0.000 0.000 0.000) 0.000 3.815 ( 0.000 0.000 0.000) 0.000 3.822 ( 0.000 0.000 0.000) 0.000 3.869 ( 0.000 0.000 0.000) 0.000 3.965 ( 0.000 0.000 0.000) 0.000 4.035 ( 0.000 0.000 0.000) 0.000 4.115 ( 0.000 0.000 0.000) 0.000 4.171 ( 0.000 0.000 0.000) 0.000 4.249 ( 0.000 0.000 0.000) 0.000 4.343 ( 0.000 0.000 0.000) 0.000 4.472 ( 0.000 0.000 0.000) 0.000 4.506 ( 0.000 0.000 0.000) 0.000 4.530 ( 0.000 0.000 0.000) 0.000 4.543 ( 0.000 0.000 0.000) 0.000 4.544 ( 0.000 0.000 0.000) 0.000 4.614 ( 0.000 0.000 0.000) 0.000 4.627 ( 0.000 0.000 0.000) 0.000 4.672 ( 0.000 0.000 0.000) 0.000 4.943 ( 0.000 0.000 0.000) 0.000 4.968 ( 0.000 0.000 0.000) 0.000 4.993 ( 0.000 0.000 0.000) 0.000 5.071 ( 0.000 0.000 0.000) 0.000 5.111 ( 0.000 0.000 0.000) 0.000 5.201 ( 0.000 0.000 0.000) 0.000 5.221 ( 0.000 0.000 0.000) 0.000 5.225 ( 0.000 0.000 0.000) 0.000 5.295 ( 0.000 0.000 0.000) 0.000 5.441 ( 0.000 0.000 0.000) 0.000 5.554 ( 0.000 0.000 0.000) 0.000 5.558 ( 0.000 0.000 0.000) 0.000 5.636 ( 0.000 0.000 0.000) 0.000 5.643 ( 0.000 0.000 0.000) 0.000 5.720 ( 0.000 0.000 0.000) 0.000 5.792 ( 0.000 0.000 0.000) 0.000 5.841 ( 0.000 0.000 0.000) 0.000 5.893 ( 0.000 0.000 0.000) 0.000 5.945 ( 0.000 0.000 0.000) 0.000 5.952 ( 0.000 0.000 0.000) 0.000 6.077 ( 0.000 0.000 0.000) 0.000 6.279 ( 0.000 0.000 0.000) 0.000 6.344 ( 0.000 0.000 0.000) 0.000 6.361 ( 0.000 0.000 0.000) 0.000 6.389 ( 0.000 0.000 0.000) 0.000 6.469 ( 0.000 0.000 0.000) 0.000 6.573 ( 0.000 0.000 0.000) 0.000 6.725 ( 0.000 0.000 0.000) 0.000 6.764 ( 0.000 0.000 0.000) 0.000 6.790 ( 0.000 0.000 0.000) 0.000 6.814 ( 0.000 0.000 0.000) 0.000 6.855 ( 0.000 0.000 0.000) 0.000 6.933 ( 0.000 0.000 0.000) 0.000 7.141 ( 0.000 0.000 0.000) 0.000 7.160 ( 0.000 0.000 0.000) 0.000 7.177 ( 0.000 0.000 0.000) 0.000 7.179 ( 0.000 0.000 0.000) 0.000 7.258 ( 0.000 0.000 0.000) 0.000 7.367 ( 0.000 0.000 0.000) 0.000 7.382 ( 0.000 0.000 0.000) 0.000 7.415 ( 0.000 0.000 0.000) 0.000 7.439 ( 0.000 0.000 0.000) 0.000 7.442 ( 0.000 0.000 0.000) 0.000 7.695 ( 0.000 0.000 0.000) 0.000 7.757 ( 0.000 0.000 0.000) 0.000 7.857 ( 0.000 0.000 0.000) 0.000 7.886 ( 0.000 0.000 0.000) 0.000 7.980 ( 0.000 0.000 0.000) 0.000 8.047 ( 0.000 0.000 0.000) 0.000 8.143 ( 0.000 0.000 0.000) 0.000 8.229 ( 0.000 0.000 0.000) 0.000 8.368 ( 0.000 0.000 0.000) 0.000 8.409 ( 0.000 0.000 0.000) 0.000 8.574 ( 0.000 0.000 0.000) 0.000 8.903 ( 0.000 0.000 0.000) 0.000 8.984 ( 0.000 0.000 0.000) 0.000 8.989 ( 0.000 0.000 0.000) 0.000 9.011 ( 0.000 0.000 0.000) 0.000 9.078 ( 0.000 0.000 0.000) 0.000 9.319 ( 0.000 0.000 0.000) 0.000 9.438 ( 0.000 0.000 0.000) 0.000 9.441 ( 0.000 0.000 0.000) 0.000 9.467 ( 0.000 0.000 0.000) 0.000 9.512 ( 0.000 0.000 0.000) 0.000 9.541 ( 0.000 0.000 0.000) 0.000 9.603 ( 0.000 0.000 0.000) 0.000 9.859 ( 0.000 0.000 0.000) 0.000 9.923 ( 0.000 0.000 0.000) 0.000 9.974 ( 0.000 0.000 0.000) 0.000 9.985 ( 0.000 0.000 0.000) 0.000 10.277 ( 0.000 0.000 0.000) 0.000 10.490 ( 0.000 0.000 0.000) 0.000 10.548 ( 0.000 0.000 0.000) 0.000 10.605 ( 0.000 0.000 0.000) 0.000 10.685 ( 0.000 0.000 0.000) 0.000 10.835 ( 0.000 0.000 0.000) 0.000 10.843 ( 0.000 0.000 0.000) 0.000 10.910 ( 0.000 0.000 0.000) 0.000 11.309 ( 0.000 0.000 0.000) 0.000 11.318 ( 0.000 0.000 0.000) 0.000 11.379 ( 0.000 0.000 0.000) 0.000 11.493 ( 0.000 0.000 0.000) 0.000 11.820 ( 0.000 0.000 0.000) 0.000 11.840 ( 0.000 0.000 0.000) 0.000 11.909 ( 0.000 0.000 0.000) 0.000 11.978 ( 0.000 0.000 0.000) 0.000 11.983 ( 0.000 0.000 0.000) 0.000 12.005 ( 0.000 0.000 0.000) 0.000 12.096 ( 0.000 0.000 0.000) 0.000 12.236 ( 0.000 0.000 0.000) 0.000 12.450 ( 0.000 0.000 0.000) 0.000 12.513 ( 0.000 0.000 0.000) 0.000 12.532 ( 0.000 0.000 0.000) 0.000 12.594 ( 0.000 0.000 0.000) 0.000 12.685 ( 0.000 0.000 0.000) 0.000 12.725 ( 0.000 0.000 0.000) 0.000 12.760 ( 0.000 0.000 0.000) 0.000 13.181 ( 0.000 0.000 0.000) 0.000 13.233 ( 0.000 0.000 0.000) 0.000 13.268 ( 0.000 0.000 0.000) 0.000 13.363 ( 0.000 0.000 0.000) 0.000 13.650 ( 0.000 0.000 0.000) 0.000 13.779 ( 0.000 0.000 0.000) 0.000 13.864 ( 0.000 0.000 0.000) 0.000 13.928 ( 0.000 0.000 0.000) 0.000 13.940 ( 0.000 0.000 0.000) 0.000 13.944 ( 0.000 0.000 0.000) 0.000 14.452 ( 0.000 0.000 0.000) 0.000 14.486 ( 0.000 0.000 0.000) 0.000 14.725 ( 0.000 0.000 0.000) 0.000 14.826 ( 0.000 0.000 0.000) 0.000 14.830 ( 0.000 0.000 0.000) 0.000 14.924 ( 0.000 0.000 0.000) 0.000 15.155 ( 0.000 0.000 0.000) 0.000 15.169 ( 0.000 0.000 0.000) 0.000 15.380 ( 0.000 0.000 0.000) 0.000 15.386 ( 0.000 0.000 0.000) 0.000 16.032 ( 0.000 0.000 0.000) 0.000 16.059 ( 0.000 0.000 0.000) 0.000 16.077 ( 0.000 0.000 0.000) 0.000 16.079 ( 0.000 0.000 0.000) 0.000 16.112 ( 0.000 0.000 0.000) 0.000 16.149 ( 0.000 0.000 0.000) 0.000 16.168 ( 0.000 0.000 0.000) 0.000 16.208 ( 0.000 0.000 0.000) 0.000 16.222 ( 0.000 0.000 0.000) 0.000 16.275 ( 0.000 0.000 0.000) 0.000 16.738 ( 0.000 0.000 0.000) 0.000 16.754 ( 0.000 0.000 0.000) 0.000 16.759 ( 0.000 0.000 0.000) 0.000 16.783 ( 0.000 0.000 0.000) 0.000 16.876 ( 0.000 0.000 0.000) 0.000 16.979 ( 0.000 0.000 0.000) 0.000 17.129 ( 0.000 0.000 0.000) 0.000 17.170 ( 0.000 0.000 0.000) 0.000 17.390 ( 0.000 0.000 0.000) 0.000 17.560 ( 0.000 0.000 0.000) 0.000 17.886 ( 0.000 0.000 0.000) 0.000 17.921 ( 0.000 0.000 0.000) 0.000 18.227 ( 0.000 0.000 0.000) 0.000 18.267 ( 0.000 0.000 0.000) 0.000 18.272 ( 0.000 0.000 0.000) 0.000 18.276 ( 0.000 0.000 0.000) 0.000 18.290 ( 0.000 0.000 0.000) 0.000 18.457 ( 0.000 0.000 0.000) 0.000 18.526 ( 0.000 0.000 0.000) 0.000 18.533 ( 0.000 0.000 0.000) 0.000 18.535 ( 0.000 0.000 0.000) 0.000 18.547 ( 0.000 0.000 0.000) 0.000 18.579 ( 0.000 0.000 0.000) 0.000 18.804 ( 0.000 0.000 0.000) 0.000 18.862 ( 0.000 0.000 0.000) 0.000 18.893 ( 0.000 0.000 0.000) 0.000 26.036 ( 0.000 0.000 0.000) 0.000 26.191 ( 0.000 0.000 0.000) 0.000 26.200 ( 0.000 0.000 0.000) 0.000 26.252 ( 0.000 0.000 0.000) 0.000 27.379 ( 0.000 0.000 0.000) 0.000 27.384 ( 0.000 0.000 0.000) 0.000 27.467 ( 0.000 0.000 0.000) 0.000 27.680 ( 0.000 0.000 0.000) 0.000 28.000 ( 0.000 0.000 0.000) 0.000 28.095 ( 0.000 0.000 0.000) 0.000 28.122 ( 0.000 0.000 0.000) 0.000 28.168 ( 0.000 0.000 0.000) 0.000 28.558 ( 0.000 0.000 0.000) 0.000 28.609 ( 0.000 0.000 0.000) 0.000 28.688 ( 0.000 0.000 0.000) 0.000 28.744 ( 0.000 0.000 0.000) 0.000 28.907 ( 0.000 0.000 0.000) 0.000 28.908 ( 0.000 0.000 0.000) 0.000 28.953 ( 0.000 0.000 0.000) 0.000 28.954 ( 0.000 0.000 0.000) 0.000 29.309 ( 0.000 0.000 0.000) 0.000 29.395 ( 0.000 0.000 0.000) 0.000 29.641 ( 0.000 0.000 0.000) 0.000 30.315 ( 0.000 0.000 0.000) 0.000 30.335 ( 0.000 0.000 0.000) 0.000 30.379 ( 0.000 0.000 0.000) 0.000 31.295 ( 0.000 0.000 0.000) 0.000 31.375 ( 0.000 0.000 0.000) 0.000 31.410 ( 0.000 0.000 0.000) 0.000 31.644 ( 0.000 0.000 0.000) 0.000 31.868 ( 0.000 0.000 0.000) 0.000 31.913 ( 0.000 0.000 0.000) 0.000 31.954 ( 0.000 0.000 0.000) 0.000 31.957 ( 0.000 0.000 0.000) 0.000 32.027 ( 0.000 0.000 0.000) 0.000 32.033 ( 0.000 0.000 0.000) 0.000 32.309 ( 0.000 0.000 0.000) 0.000 33.116 ( 0.000 0.000 0.000) 0.000 33.291 ( 0.000 0.000 0.000) 0.000 33.450 ( 0.000 0.000 0.000) 0.000 33.530 ( 0.000 0.000 0.000) 0.000 33.541 ( 0.000 0.000 0.000) 0.000 33.620 ( 0.000 0.000 0.000) 0.000 33.641 ( 0.000 0.000 0.000) 0.000 33.997 ( 0.000 0.000 0.000) 0.000 34.234 ( 0.000 0.000 0.000) 0.000 34.471 ( 0.000 0.000 0.000) 0.000 35.207 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/30) ======================= q-point: ( 0.20 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 30 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.784 ( 36.657 0.000 0.000) 36.657 0.876 ( 40.511 0.000 0.000) 40.511 1.510 ( 67.296 0.000 0.000) 67.296 2.031 ( 9.499 0.000 0.000) 9.499 2.242 ( 7.588 0.000 0.000) 7.588 2.290 ( 3.452 0.000 0.000) 3.452 2.372 ( -9.134 0.000 0.000) 9.134 2.497 ( 1.911 0.000 0.000) 1.911 2.559 ( -0.143 0.000 0.000) 0.143 2.594 ( -0.165 0.000 0.000) 0.165 2.600 ( 6.847 0.000 0.000) 6.847 2.718 ( 2.673 0.000 0.000) 2.673 2.918 ( -2.727 0.000 0.000) 2.727 3.034 ( -1.180 0.000 0.000) 1.180 3.158 ( -1.991 0.000 0.000) 1.991 3.205 ( -4.999 0.000 0.000) 4.999 3.229 ( -2.884 0.000 0.000) 2.884 3.362 ( -7.618 0.000 0.000) 7.618 3.377 ( 7.206 0.000 0.000) 7.206 3.391 ( -12.869 0.000 0.000) 12.869 3.605 ( 6.254 0.000 0.000) 6.254 3.682 ( -5.493 0.000 0.000) 5.493 3.692 ( 1.013 0.000 0.000) 1.013 3.838 ( 0.483 0.000 0.000) 0.483 3.859 ( 3.406 0.000 0.000) 3.406 4.007 ( 6.226 0.000 0.000) 6.226 4.105 ( -2.706 0.000 0.000) 2.706 4.110 ( 3.235 0.000 0.000) 3.235 4.149 ( 2.673 0.000 0.000) 2.673 4.281 ( 2.966 0.000 0.000) 2.966 4.336 ( -0.616 0.000 0.000) 0.616 4.472 ( 0.840 0.000 0.000) 0.840 4.473 ( -6.886 0.000 0.000) 6.886 4.491 ( -1.366 0.000 0.000) 1.366 4.511 ( -2.890 0.000 0.000) 2.890 4.539 ( -0.129 0.000 0.000) 0.129 4.616 ( 7.481 0.000 0.000) 7.481 4.742 ( 0.346 0.000 0.000) 0.346 4.763 ( 9.425 0.000 0.000) 9.425 4.921 ( -3.470 0.000 0.000) 3.470 4.937 ( -2.432 0.000 0.000) 2.432 4.958 ( -0.542 0.000 0.000) 0.542 5.116 ( 5.338 0.000 0.000) 5.338 5.129 ( 0.254 0.000 0.000) 0.254 5.207 ( -3.937 0.000 0.000) 3.937 5.235 ( 3.278 0.000 0.000) 3.278 5.248 ( 2.162 0.000 0.000) 2.162 5.314 ( 2.001 0.000 0.000) 2.001 5.378 ( -6.222 0.000 0.000) 6.222 5.598 ( 4.307 0.000 0.000) 4.307 5.610 ( 1.527 0.000 0.000) 1.527 5.629 ( 0.425 0.000 0.000) 0.425 5.737 ( 8.418 0.000 0.000) 8.418 5.738 ( -7.577 0.000 0.000) 7.577 5.748 ( 2.155 0.000 0.000) 2.155 5.830 ( -0.346 0.000 0.000) 0.346 5.858 ( -1.771 0.000 0.000) 1.771 5.938 ( 0.209 0.000 0.000) 0.209 5.983 ( 1.880 0.000 0.000) 1.880 6.122 ( 4.024 0.000 0.000) 4.024 6.263 ( -3.409 0.000 0.000) 3.409 6.299 ( 1.605 0.000 0.000) 1.605 6.368 ( -0.829 0.000 0.000) 0.829 6.422 ( 4.451 0.000 0.000) 4.451 6.567 ( -0.436 0.000 0.000) 0.436 6.579 ( -15.797 0.000 0.000) 15.797 6.645 ( 10.718 0.000 0.000) 10.718 6.657 ( -3.778 0.000 0.000) 3.778 6.818 ( -0.516 0.000 0.000) 0.516 6.926 ( -0.728 0.000 0.000) 0.728 6.930 ( 0.409 0.000 0.000) 0.409 6.935 ( 7.345 0.000 0.000) 7.345 7.114 ( -4.781 0.000 0.000) 4.781 7.136 ( -3.465 0.000 0.000) 3.465 7.189 ( 4.056 0.000 0.000) 4.056 7.223 ( -3.384 0.000 0.000) 3.384 7.226 ( 4.194 0.000 0.000) 4.194 7.346 ( -1.266 0.000 0.000) 1.266 7.412 ( 1.846 0.000 0.000) 1.846 7.432 ( -0.229 0.000 0.000) 0.229 7.487 ( 1.162 0.000 0.000) 1.162 7.499 ( 7.368 0.000 0.000) 7.368 7.638 ( -3.266 0.000 0.000) 3.266 7.699 ( -14.401 0.000 0.000) 14.401 7.791 ( 3.365 0.000 0.000) 3.365 7.852 ( -5.875 0.000 0.000) 5.875 7.882 ( 1.729 0.000 0.000) 1.729 8.084 ( -13.162 0.000 0.000) 13.162 8.173 ( 3.027 0.000 0.000) 3.027 8.226 ( 7.906 0.000 0.000) 7.906 8.275 ( -8.613 0.000 0.000) 8.613 8.534 ( -9.813 0.000 0.000) 9.813 8.886 ( -3.394 0.000 0.000) 3.394 8.946 ( 2.857 0.000 0.000) 2.857 8.980 ( 4.754 0.000 0.000) 4.754 8.996 ( 4.520 0.000 0.000) 4.520 9.002 ( 5.750 0.000 0.000) 5.750 9.052 ( -3.248 0.000 0.000) 3.248 9.280 ( -2.885 0.000 0.000) 2.885 9.391 ( -5.617 0.000 0.000) 5.617 9.556 ( 3.861 0.000 0.000) 3.861 9.580 ( 3.349 0.000 0.000) 3.349 9.594 ( 9.876 0.000 0.000) 9.876 9.607 ( 10.560 0.000 0.000) 10.560 9.796 ( 7.356 0.000 0.000) 7.356 9.810 ( -1.162 0.000 0.000) 1.162 9.859 ( -10.325 0.000 0.000) 10.325 9.875 ( -10.114 0.000 0.000) 10.114 9.971 ( -1.998 0.000 0.000) 1.998 10.252 ( -3.888 0.000 0.000) 3.888 10.578 ( 3.679 0.000 0.000) 3.679 10.589 ( 7.783 0.000 0.000) 7.783 10.629 ( 3.034 0.000 0.000) 3.034 10.787 ( -4.208 0.000 0.000) 4.208 10.817 ( -0.627 0.000 0.000) 0.627 11.024 ( 6.858 0.000 0.000) 6.858 11.219 ( -8.389 0.000 0.000) 8.389 11.229 ( -7.995 0.000 0.000) 7.995 11.464 ( 6.958 0.000 0.000) 6.958 11.546 ( 2.361 0.000 0.000) 2.361 11.819 ( -1.076 0.000 0.000) 1.076 11.821 ( -0.025 0.000 0.000) 0.025 11.883 ( -0.611 0.000 0.000) 0.611 11.980 ( 0.240 0.000 0.000) 0.240 12.007 ( 0.100 0.000 0.000) 0.100 12.023 ( 2.178 0.000 0.000) 2.178 12.109 ( -3.673 0.000 0.000) 3.673 12.182 ( 9.906 0.000 0.000) 9.906 12.301 ( 5.127 0.000 0.000) 5.127 12.505 ( 4.270 0.000 0.000) 4.270 12.518 ( -1.344 0.000 0.000) 1.344 12.524 ( 1.232 0.000 0.000) 1.232 12.560 ( -9.484 0.000 0.000) 9.484 12.675 ( -0.891 0.000 0.000) 0.891 12.808 ( -0.049 0.000 0.000) 0.049 12.872 ( -13.667 0.000 0.000) 13.667 13.053 ( -12.786 0.000 0.000) 12.786 13.140 ( -13.562 0.000 0.000) 13.562 13.313 ( 1.998 0.000 0.000) 1.998 13.358 ( 1.924 0.000 0.000) 1.924 13.756 ( 5.957 0.000 0.000) 5.957 13.910 ( -1.422 0.000 0.000) 1.422 13.920 ( 5.238 0.000 0.000) 5.238 13.949 ( 0.024 0.000 0.000) 0.024 13.988 ( 4.563 0.000 0.000) 4.563 14.027 ( -4.843 0.000 0.000) 4.843 14.401 ( -4.837 0.000 0.000) 4.837 14.436 ( -4.708 0.000 0.000) 4.708 14.664 ( -3.859 0.000 0.000) 3.859 14.705 ( -7.224 0.000 0.000) 7.224 14.948 ( 7.109 0.000 0.000) 7.109 14.987 ( 3.135 0.000 0.000) 3.135 15.164 ( 1.083 0.000 0.000) 1.083 15.180 ( 1.178 0.000 0.000) 1.178 15.352 ( -2.544 0.000 0.000) 2.544 15.360 ( -2.417 0.000 0.000) 2.417 16.063 ( 0.371 0.000 0.000) 0.371 16.076 ( -0.118 0.000 0.000) 0.118 16.080 ( 0.779 0.000 0.000) 0.779 16.107 ( 0.651 0.000 0.000) 0.651 16.192 ( 3.161 0.000 0.000) 3.161 16.210 ( 0.163 0.000 0.000) 0.163 16.223 ( 6.129 0.000 0.000) 6.129 16.224 ( 0.108 0.000 0.000) 0.108 16.238 ( 5.746 0.000 0.000) 5.746 16.273 ( -0.032 0.000 0.000) 0.032 16.666 ( -5.539 0.000 0.000) 5.539 16.764 ( -2.788 0.000 0.000) 2.788 16.785 ( 4.236 0.000 0.000) 4.236 16.825 ( 3.824 0.000 0.000) 3.824 16.927 ( -3.571 0.000 0.000) 3.571 17.083 ( -11.730 0.000 0.000) 11.730 17.099 ( -2.879 0.000 0.000) 2.879 17.138 ( -3.042 0.000 0.000) 3.042 17.493 ( 6.144 0.000 0.000) 6.144 17.627 ( 4.795 0.000 0.000) 4.795 17.777 ( -8.642 0.000 0.000) 8.642 18.002 ( 2.513 0.000 0.000) 2.513 18.104 ( -11.456 0.000 0.000) 11.456 18.166 ( -6.539 0.000 0.000) 6.539 18.219 ( -4.653 0.000 0.000) 4.653 18.294 ( 2.470 0.000 0.000) 2.470 18.315 ( 2.374 0.000 0.000) 2.374 18.365 ( -6.725 0.000 0.000) 6.725 18.509 ( -2.232 0.000 0.000) 2.232 18.523 ( -2.187 0.000 0.000) 2.187 18.571 ( 3.138 0.000 0.000) 3.138 18.642 ( 6.457 0.000 0.000) 6.457 18.703 ( 8.803 0.000 0.000) 8.803 18.835 ( 3.106 0.000 0.000) 3.106 18.910 ( 3.560 0.000 0.000) 3.560 18.975 ( 5.032 0.000 0.000) 5.032 26.057 ( 1.854 0.000 0.000) 1.854 26.193 ( -0.868 0.000 0.000) 0.868 26.250 ( -0.051 0.000 0.000) 0.051 26.288 ( -0.689 0.000 0.000) 0.689 27.406 ( 1.647 0.000 0.000) 1.647 27.424 ( 3.415 0.000 0.000) 3.415 27.467 ( -0.012 0.000 0.000) 0.012 27.657 ( -2.137 0.000 0.000) 2.137 28.012 ( 0.833 0.000 0.000) 0.833 28.077 ( -1.218 0.000 0.000) 1.218 28.139 ( 1.387 0.000 0.000) 1.387 28.165 ( -0.155 0.000 0.000) 0.155 28.632 ( 6.876 0.000 0.000) 6.876 28.667 ( 5.588 0.000 0.000) 5.588 28.837 ( 11.198 0.000 0.000) 11.198 28.907 ( 0.002 0.000 0.000) 0.002 28.907 ( -0.015 0.000 0.000) 0.015 28.953 ( -0.031 0.000 0.000) 0.031 28.953 ( -0.037 0.000 0.000) 0.037 29.203 ( -4.718 0.000 0.000) 4.718 29.286 ( -1.738 0.000 0.000) 1.738 29.464 ( 2.316 0.000 0.000) 2.316 29.620 ( -2.065 0.000 0.000) 2.065 29.976 ( -16.109 0.000 0.000) 16.109 30.652 ( 13.779 0.000 0.000) 13.779 31.006 ( 3.492 0.000 0.000) 3.492 31.327 ( -0.792 0.000 0.000) 0.792 31.409 ( 7.363 0.000 0.000) 7.363 31.634 ( -1.560 0.000 0.000) 1.560 31.824 ( -5.048 0.000 0.000) 5.048 31.924 ( 2.430 0.000 0.000) 2.430 31.962 ( 0.685 0.000 0.000) 0.685 31.965 ( 0.720 0.000 0.000) 0.720 32.021 ( -0.564 0.000 0.000) 0.564 32.026 ( -0.658 0.000 0.000) 0.658 32.071 ( -1.804 0.000 0.000) 1.804 33.131 ( 1.601 0.000 0.000) 1.601 33.289 ( -0.321 0.000 0.000) 0.321 33.353 ( 0.566 0.000 0.000) 0.566 33.459 ( 0.832 0.000 0.000) 0.832 33.532 ( -0.788 0.000 0.000) 0.788 33.537 ( 0.652 0.000 0.000) 0.652 33.572 ( -6.025 0.000 0.000) 6.025 33.610 ( -0.943 0.000 0.000) 0.943 33.999 ( 0.386 0.000 0.000) 0.386 34.187 ( -3.914 0.000 0.000) 3.914 34.529 ( 5.294 0.000 0.000) 5.294 35.163 ( -9.746 0.000 0.000) 9.746 ======================= Grid point 2 (3/30) ======================= q-point: ( 0.40 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 30 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.506 ( 31.685 0.000 0.000) 31.685 1.644 ( 31.404 0.000 0.000) 31.404 2.065 ( -20.963 0.000 0.000) 20.963 2.131 ( -14.761 0.000 0.000) 14.761 2.283 ( 13.242 0.000 0.000) 13.242 2.460 ( 13.701 0.000 0.000) 13.701 2.506 ( -5.737 0.000 0.000) 5.737 2.561 ( 0.080 0.000 0.000) 0.080 2.564 ( 0.429 0.000 0.000) 0.429 2.595 ( 22.421 0.000 0.000) 22.421 2.769 ( 2.011 0.000 0.000) 2.011 2.819 ( 8.734 0.000 0.000) 8.734 2.931 ( -15.900 0.000 0.000) 15.900 2.996 ( -4.307 0.000 0.000) 4.307 3.096 ( -2.985 0.000 0.000) 2.985 3.105 ( 19.203 0.000 0.000) 19.203 3.122 ( -0.566 0.000 0.000) 0.566 3.125 ( -5.004 0.000 0.000) 5.004 3.179 ( -6.937 0.000 0.000) 6.937 3.543 ( -11.405 0.000 0.000) 11.405 3.567 ( 7.862 0.000 0.000) 7.862 3.643 ( -0.715 0.000 0.000) 0.715 3.741 ( 4.079 0.000 0.000) 4.079 3.831 ( -2.279 0.000 0.000) 2.279 3.894 ( 2.239 0.000 0.000) 2.239 4.056 ( -8.163 0.000 0.000) 8.163 4.145 ( 1.484 0.000 0.000) 1.484 4.184 ( -0.532 0.000 0.000) 0.532 4.199 ( 7.642 0.000 0.000) 7.642 4.328 ( -4.494 0.000 0.000) 4.494 4.361 ( 4.367 0.000 0.000) 4.367 4.445 ( -3.210 0.000 0.000) 3.210 4.453 ( -1.030 0.000 0.000) 1.030 4.489 ( 12.356 0.000 0.000) 12.356 4.493 ( -3.614 0.000 0.000) 3.614 4.522 ( 3.791 0.000 0.000) 3.791 4.671 ( -4.507 0.000 0.000) 4.507 4.749 ( -1.264 0.000 0.000) 1.264 4.865 ( -1.180 0.000 0.000) 1.180 4.877 ( -2.078 0.000 0.000) 2.078 4.972 ( 13.821 0.000 0.000) 13.821 4.998 ( 3.862 0.000 0.000) 3.862 5.088 ( -3.878 0.000 0.000) 3.878 5.101 ( -3.068 0.000 0.000) 3.068 5.178 ( -8.546 0.000 0.000) 8.546 5.268 ( -8.522 0.000 0.000) 8.522 5.317 ( 3.667 0.000 0.000) 3.667 5.353 ( 0.605 0.000 0.000) 0.605 5.358 ( 14.592 0.000 0.000) 14.592 5.484 ( -4.933 0.000 0.000) 4.933 5.603 ( 0.040 0.000 0.000) 0.040 5.712 ( 5.377 0.000 0.000) 5.377 5.723 ( -3.164 0.000 0.000) 3.164 5.776 ( -0.406 0.000 0.000) 0.406 5.821 ( 0.333 0.000 0.000) 0.333 5.827 ( -0.372 0.000 0.000) 0.372 5.917 ( 1.825 0.000 0.000) 1.825 5.990 ( 4.760 0.000 0.000) 4.760 6.031 ( 3.996 0.000 0.000) 3.996 6.176 ( -6.945 0.000 0.000) 6.945 6.272 ( 10.823 0.000 0.000) 10.823 6.327 ( 0.783 0.000 0.000) 0.783 6.343 ( -1.111 0.000 0.000) 1.111 6.355 ( 3.898 0.000 0.000) 3.898 6.547 ( 4.980 0.000 0.000) 4.980 6.564 ( 0.322 0.000 0.000) 0.322 6.636 ( 3.985 0.000 0.000) 3.985 6.655 ( -10.958 0.000 0.000) 10.958 6.767 ( -17.373 0.000 0.000) 17.373 6.842 ( -10.068 0.000 0.000) 10.068 6.938 ( 14.753 0.000 0.000) 14.753 7.008 ( -1.259 0.000 0.000) 1.259 7.043 ( -1.670 0.000 0.000) 1.670 7.076 ( 2.701 0.000 0.000) 2.701 7.148 ( -3.321 0.000 0.000) 3.321 7.260 ( -15.751 0.000 0.000) 15.751 7.317 ( 2.489 0.000 0.000) 2.489 7.323 ( 8.171 0.000 0.000) 8.171 7.333 ( -0.185 0.000 0.000) 0.185 7.470 ( -3.551 0.000 0.000) 3.551 7.487 ( 7.971 0.000 0.000) 7.971 7.573 ( 2.409 0.000 0.000) 2.409 7.610 ( 2.377 0.000 0.000) 2.377 7.666 ( 4.523 0.000 0.000) 4.523 7.757 ( -16.072 0.000 0.000) 16.072 7.762 ( -2.948 0.000 0.000) 2.948 7.899 ( 6.899 0.000 0.000) 6.899 7.923 ( 3.737 0.000 0.000) 3.737 8.073 ( -9.503 0.000 0.000) 9.503 8.136 ( -17.449 0.000 0.000) 17.449 8.258 ( 4.366 0.000 0.000) 4.366 8.324 ( -1.362 0.000 0.000) 1.362 8.960 ( 5.401 0.000 0.000) 5.401 8.994 ( 1.165 0.000 0.000) 1.165 9.027 ( 1.370 0.000 0.000) 1.370 9.063 ( 1.078 0.000 0.000) 1.078 9.209 ( 14.634 0.000 0.000) 14.634 9.239 ( 15.302 0.000 0.000) 15.302 9.252 ( 0.686 0.000 0.000) 0.686 9.298 ( -3.362 0.000 0.000) 3.362 9.537 ( -14.136 0.000 0.000) 14.136 9.574 ( -14.358 0.000 0.000) 14.358 9.666 ( 3.058 0.000 0.000) 3.058 9.706 ( 2.062 0.000 0.000) 2.062 9.715 ( 0.875 0.000 0.000) 0.875 9.740 ( 1.376 0.000 0.000) 1.376 9.745 ( -2.776 0.000 0.000) 2.776 9.772 ( -3.266 0.000 0.000) 3.266 10.123 ( 6.636 0.000 0.000) 6.636 10.177 ( -1.771 0.000 0.000) 1.771 10.710 ( 6.265 0.000 0.000) 6.265 10.733 ( 11.047 0.000 0.000) 11.047 10.763 ( 9.934 0.000 0.000) 9.934 10.793 ( 4.277 0.000 0.000) 4.277 10.825 ( 0.508 0.000 0.000) 0.508 10.962 ( -12.744 0.000 0.000) 12.744 10.992 ( -12.519 0.000 0.000) 12.519 11.009 ( -12.295 0.000 0.000) 12.295 11.610 ( 5.704 0.000 0.000) 5.704 11.628 ( 4.878 0.000 0.000) 4.878 11.811 ( 0.137 0.000 0.000) 0.137 11.817 ( -0.311 0.000 0.000) 0.311 11.878 ( 1.589 0.000 0.000) 1.589 11.991 ( 0.751 0.000 0.000) 0.751 11.995 ( -7.299 0.000 0.000) 7.299 12.005 ( -0.390 0.000 0.000) 0.390 12.160 ( 9.629 0.000 0.000) 9.629 12.372 ( -9.117 0.000 0.000) 9.117 12.406 ( 4.362 0.000 0.000) 4.362 12.411 ( 10.712 0.000 0.000) 10.712 12.477 ( -2.577 0.000 0.000) 2.577 12.591 ( 3.517 0.000 0.000) 3.517 12.603 ( 6.370 0.000 0.000) 6.370 12.608 ( -9.420 0.000 0.000) 9.420 12.647 ( -1.915 0.000 0.000) 1.915 12.725 ( -7.416 0.000 0.000) 7.416 12.799 ( -8.435 0.000 0.000) 8.435 12.848 ( -10.561 0.000 0.000) 10.561 13.363 ( 2.525 0.000 0.000) 2.525 13.394 ( 0.138 0.000 0.000) 0.138 13.847 ( 2.353 0.000 0.000) 2.353 13.877 ( -1.469 0.000 0.000) 1.469 13.942 ( -0.609 0.000 0.000) 0.609 13.944 ( -1.904 0.000 0.000) 1.904 14.070 ( 8.679 0.000 0.000) 8.679 14.123 ( 7.978 0.000 0.000) 7.978 14.257 ( -8.539 0.000 0.000) 8.539 14.298 ( -8.132 0.000 0.000) 8.132 14.594 ( -2.247 0.000 0.000) 2.247 14.595 ( -2.739 0.000 0.000) 2.739 15.040 ( 1.866 0.000 0.000) 1.866 15.047 ( 1.889 0.000 0.000) 1.889 15.208 ( 3.089 0.000 0.000) 3.089 15.223 ( 2.953 0.000 0.000) 2.953 15.283 ( -3.800 0.000 0.000) 3.800 15.294 ( -3.573 0.000 0.000) 3.573 16.071 ( 0.272 0.000 0.000) 0.272 16.074 ( -0.069 0.000 0.000) 0.069 16.110 ( 1.579 0.000 0.000) 1.579 16.125 ( 0.379 0.000 0.000) 0.379 16.215 ( 0.355 0.000 0.000) 0.355 16.223 ( -0.274 0.000 0.000) 0.274 16.240 ( 1.267 0.000 0.000) 1.267 16.257 ( -0.631 0.000 0.000) 0.631 16.387 ( 8.096 0.000 0.000) 8.096 16.389 ( 8.779 0.000 0.000) 8.779 16.541 ( -6.543 0.000 0.000) 6.543 16.607 ( -11.176 0.000 0.000) 11.176 16.877 ( -0.701 0.000 0.000) 0.701 16.896 ( 5.883 0.000 0.000) 5.883 16.908 ( -4.077 0.000 0.000) 4.077 16.929 ( 5.785 0.000 0.000) 5.785 17.014 ( -5.100 0.000 0.000) 5.100 17.049 ( -5.286 0.000 0.000) 5.286 17.621 ( 4.997 0.000 0.000) 4.997 17.680 ( -0.861 0.000 0.000) 0.861 17.684 ( 2.154 0.000 0.000) 2.154 17.853 ( -11.259 0.000 0.000) 11.259 18.066 ( -1.259 0.000 0.000) 1.259 18.077 ( 3.087 0.000 0.000) 3.087 18.127 ( -2.128 0.000 0.000) 2.128 18.220 ( -6.718 0.000 0.000) 6.718 18.363 ( 3.860 0.000 0.000) 3.860 18.382 ( 3.734 0.000 0.000) 3.734 18.445 ( -3.715 0.000 0.000) 3.715 18.461 ( -3.620 0.000 0.000) 3.620 18.644 ( 3.503 0.000 0.000) 3.503 18.698 ( -1.082 0.000 0.000) 1.082 18.868 ( 6.606 0.000 0.000) 6.606 18.949 ( -0.765 0.000 0.000) 0.765 18.958 ( 6.434 0.000 0.000) 6.434 19.033 ( -0.270 0.000 0.000) 0.270 26.106 ( 2.676 0.000 0.000) 2.676 26.160 ( -2.259 0.000 0.000) 2.259 26.255 ( 0.544 0.000 0.000) 0.544 26.271 ( -0.867 0.000 0.000) 0.867 27.442 ( 1.492 0.000 0.000) 1.492 27.463 ( -0.504 0.000 0.000) 0.504 27.510 ( 4.422 0.000 0.000) 4.422 27.596 ( -3.642 0.000 0.000) 3.642 28.030 ( 1.001 0.000 0.000) 1.001 28.053 ( -1.112 0.000 0.000) 1.112 28.162 ( 0.606 0.000 0.000) 0.606 28.165 ( 0.113 0.000 0.000) 0.113 28.818 ( 9.493 0.000 0.000) 9.493 28.833 ( 10.042 0.000 0.000) 10.042 28.907 ( 0.009 0.000 0.000) 0.009 28.907 ( -0.017 0.000 0.000) 0.017 28.952 ( -0.016 0.000 0.000) 0.016 28.952 ( -0.027 0.000 0.000) 0.027 28.964 ( -2.328 0.000 0.000) 2.328 29.051 ( -9.642 0.000 0.000) 9.642 29.344 ( 9.411 0.000 0.000) 9.411 29.528 ( 3.854 0.000 0.000) 3.854 29.546 ( -5.974 0.000 0.000) 5.974 29.671 ( -11.981 0.000 0.000) 11.981 30.889 ( 9.034 0.000 0.000) 9.034 31.025 ( -3.259 0.000 0.000) 3.259 31.363 ( 6.068 0.000 0.000) 6.068 31.533 ( -8.177 0.000 0.000) 8.177 31.603 ( 8.791 0.000 0.000) 8.791 31.729 ( -3.860 0.000 0.000) 3.860 31.979 ( 2.308 0.000 0.000) 2.308 31.981 ( 1.104 0.000 0.000) 1.104 31.984 ( 1.085 0.000 0.000) 1.085 32.004 ( -1.018 0.000 0.000) 1.018 32.007 ( -1.058 0.000 0.000) 1.058 32.025 ( -2.323 0.000 0.000) 2.323 33.189 ( 3.930 0.000 0.000) 3.930 33.266 ( -2.390 0.000 0.000) 2.390 33.370 ( 1.238 0.000 0.000) 1.238 33.434 ( -5.634 0.000 0.000) 5.634 33.482 ( 1.322 0.000 0.000) 1.322 33.510 ( -1.291 0.000 0.000) 1.291 33.557 ( 1.208 0.000 0.000) 1.208 33.585 ( -1.392 0.000 0.000) 1.392 34.024 ( 2.269 0.000 0.000) 2.269 34.095 ( -4.299 0.000 0.000) 4.299 34.685 ( 9.542 0.000 0.000) 9.542 34.919 ( -12.376 0.000 0.000) 12.376 ======================= Grid point 5 (4/30) ======================= q-point: ( 0.00 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 30 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.714 ( 0.000 35.295 0.000) 35.295 0.846 ( 0.000 40.528 0.000) 40.528 1.371 ( 0.000 58.766 0.000) 58.766 1.425 ( 0.000 -34.021 0.000) 34.021 1.638 ( 0.000 -26.959 0.000) 26.959 2.360 ( 0.000 -4.993 0.000) 4.993 2.476 ( 0.000 6.466 0.000) 6.466 2.493 ( 0.000 1.226 0.000) 1.226 2.521 ( 0.000 -1.383 0.000) 1.383 2.625 ( 0.000 -9.887 0.000) 9.887 2.702 ( 0.000 -9.883 0.000) 9.883 2.715 ( 0.000 10.409 0.000) 10.409 2.754 ( 0.000 -35.314 0.000) 35.314 2.822 ( 0.000 16.767 0.000) 16.767 2.968 ( 0.000 -13.546 0.000) 13.546 3.059 ( 0.000 -9.418 0.000) 9.418 3.311 ( 0.000 9.940 0.000) 9.940 3.454 ( 0.000 8.100 0.000) 8.100 3.466 ( 0.000 19.633 0.000) 19.633 3.600 ( 0.000 -3.090 0.000) 3.090 3.688 ( 0.000 -17.868 0.000) 17.868 3.702 ( 0.000 1.071 0.000) 1.071 3.804 ( 0.000 10.762 0.000) 10.762 3.830 ( 0.000 -1.127 0.000) 1.127 3.854 ( 0.000 12.404 0.000) 12.404 3.866 ( 0.000 -3.022 0.000) 3.022 3.894 ( 0.000 0.926 0.000) 0.926 4.218 ( 0.000 -9.293 0.000) 9.293 4.232 ( 0.000 -3.857 0.000) 3.857 4.248 ( 0.000 -3.356 0.000) 3.356 4.303 ( 0.000 3.614 0.000) 3.614 4.332 ( 0.000 -8.974 0.000) 8.974 4.486 ( 0.000 1.128 0.000) 1.128 4.499 ( 0.000 -2.910 0.000) 2.910 4.503 ( 0.000 -1.498 0.000) 1.498 4.540 ( 0.000 -3.029 0.000) 3.029 4.570 ( 0.000 -1.382 0.000) 1.382 4.590 ( 0.000 -3.831 0.000) 3.831 4.832 ( 0.000 0.434 0.000) 0.434 4.895 ( 0.000 8.956 0.000) 8.956 4.914 ( 0.000 -3.427 0.000) 3.427 5.005 ( 0.000 -3.087 0.000) 3.087 5.057 ( 0.000 0.279 0.000) 0.279 5.081 ( 0.000 -2.180 0.000) 2.180 5.277 ( 0.000 4.263 0.000) 4.263 5.279 ( 0.000 3.298 0.000) 3.298 5.310 ( 0.000 9.455 0.000) 9.455 5.426 ( 0.000 8.440 0.000) 8.440 5.489 ( 0.000 -6.686 0.000) 6.686 5.500 ( 0.000 2.931 0.000) 2.931 5.548 ( 0.000 -1.471 0.000) 1.471 5.554 ( 0.000 0.690 0.000) 0.690 5.596 ( 0.000 -8.785 0.000) 8.785 5.703 ( 0.000 -12.037 0.000) 12.037 5.843 ( 0.000 1.635 0.000) 1.635 5.844 ( 0.000 1.202 0.000) 1.202 5.930 ( 0.000 3.074 0.000) 3.074 5.975 ( 0.000 6.048 0.000) 6.048 6.090 ( 0.000 3.443 0.000) 3.443 6.161 ( 0.000 0.890 0.000) 0.890 6.352 ( 0.000 6.103 0.000) 6.103 6.452 ( 0.000 -0.392 0.000) 0.392 6.475 ( 0.000 2.843 0.000) 2.843 6.503 ( 0.000 11.922 0.000) 11.922 6.513 ( 0.000 14.662 0.000) 14.662 6.563 ( 0.000 3.219 0.000) 3.219 6.636 ( 0.000 -1.563 0.000) 1.563 6.733 ( 0.000 -4.848 0.000) 4.848 6.766 ( 0.000 -2.328 0.000) 2.328 6.819 ( 0.000 -3.655 0.000) 3.655 6.894 ( 0.000 4.430 0.000) 4.430 6.895 ( 0.000 -2.459 0.000) 2.459 6.944 ( 0.000 -12.096 0.000) 12.096 7.108 ( 0.000 -6.348 0.000) 6.348 7.179 ( 0.000 2.890 0.000) 2.890 7.239 ( 0.000 -2.314 0.000) 2.314 7.256 ( 0.000 5.319 0.000) 5.319 7.303 ( 0.000 -4.135 0.000) 4.135 7.362 ( 0.000 -4.332 0.000) 4.332 7.373 ( 0.000 -16.123 0.000) 16.123 7.534 ( 0.000 8.518 0.000) 8.518 7.561 ( 0.000 9.043 0.000) 9.043 7.683 ( 0.000 -4.538 0.000) 4.538 7.706 ( 0.000 -4.943 0.000) 4.943 7.895 ( 0.000 4.417 0.000) 4.417 8.012 ( 0.000 -5.762 0.000) 5.762 8.118 ( 0.000 8.990 0.000) 8.990 8.162 ( 0.000 2.941 0.000) 2.941 8.269 ( 0.000 3.378 0.000) 3.378 8.293 ( 0.000 -3.984 0.000) 3.984 8.320 ( 0.000 -3.890 0.000) 3.890 8.338 ( 0.000 -2.812 0.000) 2.812 8.822 ( 0.000 15.301 0.000) 15.301 8.874 ( 0.000 -4.547 0.000) 4.547 8.893 ( 0.000 -4.432 0.000) 4.432 8.985 ( 0.000 0.118 0.000) 0.118 8.988 ( 0.000 -0.127 0.000) 0.127 9.160 ( 0.000 -2.408 0.000) 2.408 9.268 ( 0.000 -4.999 0.000) 4.999 9.427 ( 0.000 -6.934 0.000) 6.934 9.434 ( 0.000 -0.229 0.000) 0.229 9.435 ( 0.000 -0.340 0.000) 0.340 9.524 ( 0.000 0.888 0.000) 0.888 9.538 ( 0.000 -0.385 0.000) 0.385 9.751 ( 0.000 4.634 0.000) 4.634 9.798 ( 0.000 -1.450 0.000) 1.450 9.977 ( 0.000 0.266 0.000) 0.266 9.983 ( 0.000 -0.265 0.000) 0.265 10.097 ( 0.000 12.259 0.000) 12.259 10.336 ( 0.000 -7.968 0.000) 7.968 10.533 ( 0.000 5.427 0.000) 5.427 10.562 ( 0.000 1.290 0.000) 1.290 10.591 ( 0.000 -1.257 0.000) 1.257 10.639 ( 0.000 -4.020 0.000) 4.020 10.869 ( 0.000 2.171 0.000) 2.171 10.871 ( 0.000 2.645 0.000) 2.645 11.092 ( 0.000 2.670 0.000) 2.670 11.311 ( 0.000 0.164 0.000) 0.164 11.315 ( 0.000 -0.224 0.000) 0.224 11.316 ( 0.000 -14.514 0.000) 14.514 11.626 ( 0.000 15.132 0.000) 15.132 11.826 ( 0.000 0.455 0.000) 0.455 11.835 ( 0.000 -0.430 0.000) 0.430 11.848 ( 0.000 -6.303 0.000) 6.303 11.982 ( 0.000 0.425 0.000) 0.425 11.995 ( 0.000 -0.758 0.000) 0.758 12.155 ( 0.000 6.805 0.000) 6.805 12.278 ( 0.000 3.818 0.000) 3.818 12.363 ( 0.000 -11.850 0.000) 11.850 12.373 ( 0.000 -5.068 0.000) 5.068 12.588 ( 0.000 0.394 0.000) 0.394 12.597 ( 0.000 3.864 0.000) 3.864 12.627 ( 0.000 -3.082 0.000) 3.082 12.661 ( 0.000 -2.278 0.000) 2.278 12.770 ( 0.000 2.170 0.000) 2.170 12.786 ( 0.000 0.862 0.000) 0.862 13.201 ( 0.000 1.825 0.000) 1.825 13.244 ( 0.000 -1.959 0.000) 1.959 13.526 ( 0.000 11.140 0.000) 11.140 13.643 ( 0.000 -1.269 0.000) 1.269 13.799 ( 0.000 3.253 0.000) 3.253 13.883 ( 0.000 1.649 0.000) 1.649 13.892 ( 0.000 -1.936 0.000) 1.936 13.920 ( 0.000 -1.720 0.000) 1.720 13.935 ( 0.000 1.055 0.000) 1.055 14.039 ( 0.000 -9.944 0.000) 9.944 14.461 ( 0.000 0.806 0.000) 0.806 14.478 ( 0.000 -0.711 0.000) 0.711 14.769 ( 0.000 3.115 0.000) 3.115 14.816 ( 0.000 -1.215 0.000) 1.215 14.852 ( 0.000 2.061 0.000) 2.061 14.902 ( 0.000 -2.458 0.000) 2.458 15.158 ( 0.000 0.311 0.000) 0.311 15.165 ( 0.000 -0.311 0.000) 0.311 15.382 ( 0.000 0.135 0.000) 0.135 15.385 ( 0.000 -0.132 0.000) 0.132 16.055 ( 0.000 1.952 0.000) 1.952 16.063 ( 0.000 0.400 0.000) 0.400 16.072 ( 0.000 -0.432 0.000) 0.432 16.094 ( 0.000 -1.548 0.000) 1.548 16.111 ( 0.000 1.058 0.000) 1.058 16.137 ( 0.000 -1.128 0.000) 1.128 16.212 ( 0.000 0.325 0.000) 0.325 16.219 ( 0.000 -0.290 0.000) 0.290 16.269 ( 0.000 -0.227 0.000) 0.227 16.275 ( 0.000 -0.705 0.000) 0.705 16.748 ( 0.000 0.955 0.000) 0.955 16.758 ( 0.000 0.287 0.000) 0.287 16.761 ( 0.000 0.050 0.000) 0.050 16.771 ( 0.000 -1.069 0.000) 1.069 16.913 ( 0.000 3.298 0.000) 3.298 16.992 ( 0.000 -3.880 0.000) 3.880 17.140 ( 0.000 0.971 0.000) 0.971 17.161 ( 0.000 -0.862 0.000) 0.862 17.438 ( 0.000 3.951 0.000) 3.951 17.520 ( 0.000 -3.519 0.000) 3.519 17.899 ( 0.000 0.998 0.000) 0.998 17.916 ( 0.000 -0.563 0.000) 0.563 18.273 ( 0.000 0.486 0.000) 0.486 18.274 ( 0.000 0.105 0.000) 0.105 18.275 ( 0.000 -0.049 0.000) 0.049 18.284 ( 0.000 -0.505 0.000) 0.505 18.444 ( 0.000 0.245 0.000) 0.245 18.468 ( 0.000 -2.304 0.000) 2.304 18.536 ( 0.000 0.332 0.000) 0.332 18.543 ( 0.000 -0.311 0.000) 0.311 18.578 ( 0.000 1.189 0.000) 1.189 18.584 ( 0.000 0.275 0.000) 0.275 18.722 ( 0.000 3.105 0.000) 3.105 18.786 ( 0.000 -2.438 0.000) 2.438 18.887 ( 0.000 2.931 0.000) 2.931 18.956 ( 0.000 -3.047 0.000) 3.047 26.189 ( 0.000 -0.105 0.000) 0.105 26.191 ( 0.000 -0.425 0.000) 0.425 26.237 ( 0.000 0.874 0.000) 0.874 26.249 ( 0.000 -0.329 0.000) 0.329 27.380 ( 0.000 0.108 0.000) 0.108 27.382 ( 0.000 -0.119 0.000) 0.119 27.683 ( 0.000 0.261 0.000) 0.261 27.689 ( 0.000 -0.256 0.000) 0.256 28.094 ( 0.000 -0.048 0.000) 0.048 28.094 ( 0.000 -0.044 0.000) 0.044 28.133 ( 0.000 1.016 0.000) 1.016 28.156 ( 0.000 -1.037 0.000) 1.037 28.578 ( 0.000 0.912 0.000) 0.912 28.599 ( 0.000 -0.920 0.000) 0.920 28.704 ( 0.000 1.346 0.000) 1.346 28.732 ( 0.000 -1.119 0.000) 1.119 28.907 ( 0.000 0.021 0.000) 0.021 28.907 ( 0.000 -0.021 0.000) 0.021 28.953 ( 0.000 0.008 0.000) 0.008 28.954 ( 0.000 -0.008 0.000) 0.008 29.329 ( 0.000 1.876 0.000) 1.876 29.372 ( 0.000 -1.971 0.000) 1.971 30.286 ( 0.000 0.109 0.000) 0.109 30.297 ( 0.000 -1.033 0.000) 1.033 30.412 ( 0.000 2.400 0.000) 2.400 30.457 ( 0.000 -1.730 0.000) 1.730 31.327 ( 0.000 2.354 0.000) 2.354 31.379 ( 0.000 -2.536 0.000) 2.536 31.459 ( 0.000 8.473 0.000) 8.473 31.697 ( 0.000 -13.879 0.000) 13.879 31.926 ( 0.000 4.507 0.000) 4.507 31.955 ( 0.000 0.051 0.000) 0.051 31.956 ( 0.000 -0.054 0.000) 0.054 32.018 ( 0.000 -3.795 0.000) 3.795 32.028 ( 0.000 0.133 0.000) 0.133 32.031 ( 0.000 -0.130 0.000) 0.130 32.563 ( 0.000 17.937 0.000) 17.937 32.921 ( 0.000 -15.899 0.000) 15.899 33.461 ( 0.000 1.109 0.000) 1.109 33.492 ( 0.000 -1.897 0.000) 1.897 33.578 ( 0.000 1.877 0.000) 1.877 33.607 ( 0.000 2.451 0.000) 2.451 33.609 ( 0.000 -1.090 0.000) 1.090 33.636 ( 0.000 -0.611 0.000) 0.611 34.067 ( 0.000 5.881 0.000) 5.881 34.184 ( 0.000 -4.654 0.000) 4.654 35.214 ( 0.000 0.587 0.000) 0.587 35.227 ( 0.000 -0.576 0.000) 0.576 ======================= Grid point 6 (5/30) ======================= q-point: ( 0.20 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 40 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.054 ( 26.644 23.150 0.000) 35.296 1.267 ( 28.661 29.562 0.000) 41.175 1.601 ( 15.434 -28.469 0.000) 32.384 1.834 ( 26.479 -7.752 0.000) 27.591 1.950 ( 31.267 13.116 0.000) 33.906 2.329 ( -3.332 -7.944 0.000) 8.615 2.412 ( -7.609 3.429 0.000) 8.346 2.491 ( -3.479 -3.916 0.000) 5.238 2.541 ( 8.548 5.667 0.000) 10.256 2.690 ( 3.939 -1.466 0.000) 4.203 2.720 ( 0.003 9.585 0.000) 9.585 2.748 ( 6.948 -3.545 0.000) 7.800 2.799 ( -1.822 13.947 0.000) 14.065 2.979 ( 1.175 -10.056 0.000) 10.124 3.056 ( 20.268 -31.816 0.000) 37.723 3.066 ( 0.516 -9.114 0.000) 9.129 3.292 ( -3.936 5.893 0.000) 7.087 3.368 ( -9.514 14.766 0.000) 17.565 3.399 ( -8.749 0.314 0.000) 8.754 3.513 ( -1.762 6.238 0.000) 6.482 3.588 ( -17.248 -2.497 0.000) 17.428 3.676 ( -1.650 -6.549 0.000) 6.754 3.756 ( 4.108 0.421 0.000) 4.129 3.757 ( -0.713 3.009 0.000) 3.093 3.809 ( 0.028 1.183 0.000) 1.183 3.934 ( 1.427 -3.754 0.000) 4.016 3.985 ( 5.396 3.327 0.000) 6.340 4.126 ( -1.280 0.114 0.000) 1.285 4.218 ( -1.551 -6.128 0.000) 6.321 4.254 ( -0.406 -8.113 0.000) 8.123 4.328 ( 2.503 2.636 0.000) 3.635 4.386 ( 2.718 -5.565 0.000) 6.193 4.484 ( -0.707 0.907 0.000) 1.150 4.487 ( -1.702 3.382 0.000) 3.786 4.549 ( 0.036 -2.058 0.000) 2.058 4.563 ( 1.802 -1.873 0.000) 2.599 4.598 ( 7.391 3.024 0.000) 7.985 4.691 ( 9.650 -4.627 0.000) 10.702 4.816 ( -0.576 0.513 0.000) 0.771 4.873 ( -1.464 10.447 0.000) 10.549 4.903 ( -0.831 -4.798 0.000) 4.869 5.036 ( 1.557 -5.489 0.000) 5.706 5.037 ( -1.287 3.675 0.000) 3.894 5.104 ( 0.441 -2.784 0.000) 2.819 5.264 ( -1.137 6.092 0.000) 6.197 5.313 ( 2.410 2.487 0.000) 3.463 5.337 ( 1.664 8.504 0.000) 8.665 5.405 ( -0.857 5.528 0.000) 5.594 5.448 ( -4.811 2.430 0.000) 5.390 5.483 ( -1.733 1.535 0.000) 2.315 5.554 ( 5.215 -3.706 0.000) 6.398 5.615 ( -4.729 -6.567 0.000) 8.093 5.619 ( 2.881 -9.180 0.000) 9.622 5.670 ( 2.620 -10.244 0.000) 10.574 5.805 ( -1.611 2.575 0.000) 3.037 5.837 ( 1.676 0.178 0.000) 1.685 5.939 ( -0.466 4.974 0.000) 4.996 6.031 ( 0.405 -0.569 0.000) 0.699 6.093 ( -2.376 15.426 0.000) 15.608 6.217 ( 3.655 4.241 0.000) 5.599 6.270 ( -2.596 3.782 0.000) 4.588 6.355 ( 0.250 4.840 0.000) 4.846 6.425 ( -2.204 0.504 0.000) 2.261 6.474 ( -10.050 -11.212 0.000) 15.057 6.527 ( 1.565 7.284 0.000) 7.450 6.587 ( 2.774 5.629 0.000) 6.275 6.636 ( -4.214 -1.791 0.000) 4.578 6.681 ( 3.402 5.167 0.000) 6.187 6.759 ( -0.849 -2.179 0.000) 2.339 6.831 ( 0.999 -10.705 0.000) 10.751 6.931 ( 4.938 0.843 0.000) 5.009 6.946 ( 1.329 4.182 0.000) 4.388 7.009 ( 3.530 -7.904 0.000) 8.657 7.144 ( 2.081 -8.575 0.000) 8.824 7.152 ( -2.505 2.804 0.000) 3.760 7.206 ( -3.725 0.062 0.000) 3.725 7.215 ( -2.977 2.884 0.000) 4.145 7.322 ( -3.320 -5.279 0.000) 6.237 7.353 ( 5.880 -1.460 0.000) 6.058 7.421 ( 3.082 -4.116 0.000) 5.142 7.488 ( -1.292 1.899 0.000) 2.297 7.576 ( 1.771 9.689 0.000) 9.849 7.579 ( -6.452 -3.553 0.000) 7.366 7.733 ( 2.725 -5.494 0.000) 6.133 7.889 ( -10.404 8.307 0.000) 13.313 7.911 ( -2.269 6.681 0.000) 7.056 7.983 ( -6.890 2.485 0.000) 7.324 8.097 ( -2.056 -5.598 0.000) 5.963 8.143 ( -11.347 4.776 0.000) 12.311 8.236 ( -9.324 -3.663 0.000) 10.017 8.313 ( 7.085 7.135 0.000) 10.055 8.494 ( -1.780 -8.793 0.000) 8.971 8.824 ( 4.151 0.477 0.000) 4.178 8.887 ( 4.323 0.720 0.000) 4.383 8.958 ( 0.719 -0.588 0.000) 0.929 8.997 ( 4.821 0.110 0.000) 4.822 9.000 ( 5.435 -0.181 0.000) 5.438 9.120 ( -1.937 -5.812 0.000) 6.126 9.296 ( 1.330 9.515 0.000) 9.608 9.491 ( -12.060 2.777 0.000) 12.376 9.558 ( 4.716 0.310 0.000) 4.726 9.569 ( 4.811 -0.767 0.000) 4.872 9.602 ( 9.066 0.537 0.000) 9.082 9.609 ( 9.177 -0.053 0.000) 9.177 9.657 ( 10.282 -6.795 0.000) 12.324 9.756 ( -6.083 -9.707 0.000) 11.456 9.863 ( -10.310 0.334 0.000) 10.316 9.871 ( -10.202 -0.362 0.000) 10.208 10.062 ( -0.097 12.956 0.000) 12.956 10.254 ( -3.357 -4.048 0.000) 5.259 10.591 ( 3.505 1.152 0.000) 3.690 10.616 ( 3.183 -1.133 0.000) 3.379 10.665 ( 8.208 8.081 0.000) 11.518 10.855 ( 4.773 -1.528 0.000) 5.012 10.895 ( 3.863 3.153 0.000) 4.986 10.989 ( -3.552 10.338 0.000) 10.931 11.221 ( -8.278 0.216 0.000) 8.281 11.226 ( -8.082 -0.248 0.000) 8.086 11.260 ( 19.220 -24.604 0.000) 31.221 11.300 ( 1.717 -14.071 0.000) 14.176 11.746 ( 6.778 9.232 0.000) 11.453 11.819 ( -0.828 0.009 0.000) 0.828 11.820 ( -0.358 -0.049 0.000) 0.361 11.900 ( 6.550 -4.747 0.000) 8.089 11.986 ( 0.308 0.519 0.000) 0.603 11.999 ( 0.259 -0.659 0.000) 0.708 12.143 ( -2.388 5.421 0.000) 5.923 12.323 ( -4.629 -10.537 0.000) 11.510 12.335 ( 4.462 3.160 0.000) 5.468 12.417 ( 3.143 -4.551 0.000) 5.531 12.572 ( 2.191 7.762 0.000) 8.065 12.596 ( 0.049 3.623 0.000) 3.624 12.627 ( -2.106 0.696 0.000) 2.218 12.654 ( -0.639 -2.038 0.000) 2.135 12.798 ( 0.390 0.890 0.000) 0.972 12.843 ( -2.546 -2.275 0.000) 3.414 13.024 ( -11.493 -0.297 0.000) 11.497 13.082 ( -7.667 -5.372 0.000) 9.362 13.336 ( -12.761 14.205 0.000) 19.095 13.537 ( -10.153 -1.929 0.000) 10.335 13.791 ( 3.347 4.233 0.000) 5.397 13.910 ( -0.790 -2.878 0.000) 2.985 13.932 ( -0.475 -2.565 0.000) 2.608 13.936 ( 5.053 1.461 0.000) 5.260 13.946 ( -2.620 -2.141 0.000) 3.383 13.970 ( 4.713 -1.554 0.000) 4.962 14.411 ( -4.793 0.832 0.000) 4.865 14.428 ( -4.731 -0.728 0.000) 4.787 14.689 ( -4.778 2.629 0.000) 5.453 14.734 ( -6.791 -0.445 0.000) 6.805 14.949 ( 5.552 1.081 0.000) 5.656 14.979 ( 4.111 -1.135 0.000) 4.265 15.168 ( 1.108 0.350 0.000) 1.162 15.176 ( 1.155 -0.349 0.000) 1.207 15.354 ( -2.512 0.165 0.000) 2.517 15.358 ( -2.448 -0.161 0.000) 2.453 16.066 ( 0.254 0.263 0.000) 0.366 16.072 ( 0.011 -0.287 0.000) 0.287 16.086 ( 2.315 1.551 0.000) 2.786 16.122 ( 2.263 -0.902 0.000) 2.436 16.186 ( 3.941 0.980 0.000) 4.061 16.214 ( 0.140 0.336 0.000) 0.364 16.221 ( 0.114 -0.313 0.000) 0.333 16.221 ( 5.274 -1.673 0.000) 5.533 16.260 ( 1.549 1.349 0.000) 2.054 16.268 ( 0.873 -0.054 0.000) 0.875 16.686 ( -5.235 1.982 0.000) 5.598 16.737 ( -4.094 -2.436 0.000) 4.764 16.794 ( 4.130 0.829 0.000) 4.212 16.814 ( 3.921 -0.946 0.000) 4.034 16.919 ( -2.126 -0.228 0.000) 2.138 16.959 ( -1.759 -5.435 0.000) 5.713 17.109 ( -2.912 0.933 0.000) 3.058 17.129 ( -2.996 -0.819 0.000) 3.106 17.479 ( 3.791 3.107 0.000) 4.901 17.588 ( 3.074 -6.335 0.000) 7.041 17.808 ( -3.993 5.003 0.000) 6.401 17.901 ( 0.400 -4.026 0.000) 4.046 18.133 ( -11.075 1.731 0.000) 11.209 18.181 ( -8.822 -2.456 0.000) 9.158 18.292 ( -9.751 4.013 0.000) 10.544 18.299 ( 2.441 0.459 0.000) 2.484 18.310 ( 2.393 -0.484 0.000) 2.441 18.353 ( -7.596 -1.926 0.000) 7.836 18.512 ( -2.216 0.345 0.000) 2.243 18.520 ( -2.194 -0.319 0.000) 2.217 18.664 ( 6.379 1.913 0.000) 6.660 18.683 ( 4.473 1.182 0.000) 4.627 18.729 ( 4.171 5.023 0.000) 6.529 18.809 ( 2.349 -2.449 0.000) 3.393 18.936 ( 3.824 2.212 0.000) 4.418 18.974 ( 3.656 -0.898 0.000) 3.765 26.120 ( -1.262 3.600 0.000) 3.815 26.173 ( -1.119 -1.793 0.000) 2.114 26.258 ( 0.385 0.746 0.000) 0.839 26.276 ( 0.207 -0.889 0.000) 0.912 27.406 ( 2.225 0.399 0.000) 2.261 27.417 ( 2.974 -0.533 0.000) 3.021 27.574 ( -4.893 5.720 0.000) 7.527 27.643 ( -3.124 -1.584 0.000) 3.502 28.033 ( -0.814 1.692 0.000) 1.877 28.065 ( -1.427 -1.172 0.000) 1.846 28.147 ( 0.877 0.686 0.000) 1.113 28.160 ( 0.210 -0.485 0.000) 0.528 28.641 ( 6.514 0.822 0.000) 6.566 28.659 ( 5.865 -0.763 0.000) 5.914 28.880 ( 11.674 4.327 0.000) 12.450 28.907 ( -0.002 0.017 0.000) 0.017 28.907 ( -0.010 -0.017 0.000) 0.020 28.953 ( -0.033 0.007 0.000) 0.033 28.953 ( -0.036 -0.007 0.000) 0.037 29.025 ( 9.931 -10.343 0.000) 14.339 29.310 ( -1.163 2.276 0.000) 2.556 29.369 ( 1.039 -3.443 0.000) 3.596 29.834 ( -15.267 9.222 0.000) 17.836 29.949 ( -16.495 -2.926 0.000) 16.752 30.716 ( 14.020 6.140 0.000) 15.306 30.885 ( 11.320 -9.543 0.000) 14.806 31.399 ( -0.670 6.859 0.000) 6.892 31.443 ( 5.178 4.077 0.000) 6.590 31.538 ( 5.607 -6.727 0.000) 8.757 31.637 ( -4.432 -12.475 0.000) 13.239 31.962 ( 0.694 0.064 0.000) 0.697 31.964 ( 0.712 -0.067 0.000) 0.715 31.977 ( 4.562 6.585 0.000) 8.010 32.022 ( -0.588 0.107 0.000) 0.598 32.025 ( -0.635 -0.105 0.000) 0.644 32.129 ( 4.132 -4.956 0.000) 6.453 32.761 ( 15.368 -2.658 0.000) 15.597 32.957 ( 3.351 -13.578 0.000) 13.985 33.469 ( 0.704 0.985 0.000) 1.211 33.497 ( 0.347 -1.694 0.000) 1.729 33.540 ( -5.552 2.790 0.000) 6.214 33.568 ( -5.957 -0.539 0.000) 5.981 33.572 ( -0.477 1.681 0.000) 1.748 33.600 ( -0.821 -0.973 0.000) 1.273 34.082 ( 1.539 6.666 0.000) 6.841 34.204 ( 1.191 -3.950 0.000) 4.126 34.902 ( -15.571 16.931 0.000) 23.002 35.108 ( -11.159 -5.508 0.000) 12.444 ======================= Grid point 7 (6/30) ======================= q-point: ( 0.40 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 40 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.647 ( 27.791 13.119 0.000) 30.732 1.844 ( 23.595 17.952 0.000) 29.648 1.984 ( 18.126 -18.279 0.000) 25.742 2.153 ( -16.898 7.163 0.000) 18.354 2.168 ( -7.577 0.320 0.000) 7.584 2.284 ( 16.718 -10.194 0.000) 19.580 2.341 ( -11.957 -10.084 0.000) 15.641 2.435 ( 7.819 -15.984 0.000) 17.794 2.720 ( 0.530 8.428 0.000) 8.444 2.753 ( -2.375 8.604 0.000) 8.926 2.769 ( 4.051 0.700 0.000) 4.111 2.779 ( 6.079 -1.020 0.000) 6.164 2.968 ( -4.470 3.789 0.000) 5.860 2.971 ( -14.976 3.178 0.000) 15.309 3.016 ( 1.415 -5.771 0.000) 5.942 3.040 ( -2.315 -5.335 0.000) 5.816 3.196 ( -3.425 3.620 0.000) 4.983 3.202 ( -5.357 2.069 0.000) 5.742 3.333 ( 13.405 9.373 0.000) 16.357 3.510 ( 6.351 -4.717 0.000) 7.911 3.537 ( 2.862 -0.217 0.000) 2.870 3.616 ( -4.062 -6.073 0.000) 7.306 3.801 ( 3.792 5.152 0.000) 6.397 3.836 ( 0.689 2.136 0.000) 2.245 3.851 ( 3.997 -0.832 0.000) 4.083 3.946 ( -2.275 -7.989 0.000) 8.307 4.076 ( 3.751 -1.533 0.000) 4.052 4.159 ( -3.961 -5.747 0.000) 6.980 4.187 ( 5.662 1.548 0.000) 5.870 4.257 ( -0.087 -4.349 0.000) 4.350 4.397 ( 3.528 1.969 0.000) 4.040 4.422 ( 1.778 -1.076 0.000) 2.078 4.476 ( -0.804 2.523 0.000) 2.648 4.484 ( 2.277 2.922 0.000) 3.704 4.515 ( -3.289 0.088 0.000) 3.290 4.564 ( -2.355 -5.496 0.000) 5.979 4.785 ( 5.797 11.877 0.000) 13.217 4.837 ( -0.196 7.838 0.000) 7.840 4.839 ( 2.911 1.233 0.000) 3.161 4.898 ( -0.856 -2.316 0.000) 2.469 4.906 ( 9.726 -4.724 0.000) 10.813 5.000 ( -0.407 2.114 0.000) 2.153 5.061 ( -4.154 -2.764 0.000) 4.990 5.068 ( -0.409 -9.627 0.000) 9.635 5.185 ( -2.687 7.522 0.000) 7.988 5.307 ( -6.631 2.487 0.000) 7.082 5.378 ( 2.209 4.874 0.000) 5.351 5.399 ( -0.930 -1.363 0.000) 1.650 5.403 ( -0.042 3.262 0.000) 3.262 5.414 ( -2.874 -5.727 0.000) 6.408 5.546 ( 4.068 1.826 0.000) 4.459 5.659 ( -5.678 -6.266 0.000) 8.456 5.667 ( 4.362 -3.164 0.000) 5.389 5.691 ( 2.256 -5.863 0.000) 6.282 5.814 ( 1.760 1.290 0.000) 2.182 5.862 ( -3.343 0.113 0.000) 3.344 5.954 ( 5.142 0.588 0.000) 5.176 5.998 ( 2.187 -1.064 0.000) 2.433 6.064 ( -0.521 4.646 0.000) 4.675 6.129 ( -9.966 -0.963 0.000) 10.012 6.358 ( 0.174 2.509 0.000) 2.515 6.360 ( 1.456 1.745 0.000) 2.272 6.377 ( -1.842 1.328 0.000) 2.271 6.396 ( 3.501 1.165 0.000) 3.690 6.550 ( 0.732 0.708 0.000) 1.018 6.573 ( -1.844 -0.908 0.000) 2.056 6.613 ( -0.560 5.557 0.000) 5.585 6.702 ( 8.396 7.758 0.000) 11.432 6.777 ( -5.429 -5.896 0.000) 8.015 6.878 ( 1.131 -2.739 0.000) 2.963 6.924 ( -5.111 -1.236 0.000) 5.258 7.018 ( 8.921 7.310 0.000) 11.534 7.019 ( -4.190 -4.462 0.000) 6.121 7.106 ( 0.731 2.667 0.000) 2.765 7.155 ( -2.619 1.972 0.000) 3.279 7.178 ( 0.078 -6.737 0.000) 6.738 7.179 ( 2.923 -5.063 0.000) 5.846 7.250 ( -3.393 -6.672 0.000) 7.485 7.338 ( -7.556 0.767 0.000) 7.595 7.369 ( -5.659 -4.350 0.000) 7.137 7.551 ( 6.790 0.301 0.000) 6.796 7.622 ( 4.246 -4.267 0.000) 6.020 7.658 ( 6.532 10.111 0.000) 12.038 7.672 ( -3.522 5.693 0.000) 6.695 7.777 ( -7.807 -1.919 0.000) 8.039 7.810 ( 0.623 -2.622 0.000) 2.694 7.894 ( -6.472 4.641 0.000) 7.964 7.973 ( 3.809 4.720 0.000) 6.065 8.019 ( -9.948 -5.090 0.000) 11.175 8.079 ( -3.355 -4.486 0.000) 5.602 8.359 ( -2.991 5.161 0.000) 5.965 8.375 ( -2.993 3.175 0.000) 4.364 8.932 ( 4.464 -0.214 0.000) 4.469 8.970 ( 0.434 0.156 0.000) 0.461 9.017 ( 6.501 -0.532 0.000) 6.523 9.102 ( -1.223 -3.815 0.000) 4.006 9.216 ( 14.794 0.636 0.000) 14.807 9.231 ( 15.120 -0.689 0.000) 15.136 9.268 ( -1.570 3.439 0.000) 3.780 9.310 ( -5.541 0.448 0.000) 5.559 9.547 ( -14.093 0.867 0.000) 14.120 9.565 ( -14.197 -0.810 0.000) 14.220 9.676 ( 2.787 0.858 0.000) 2.916 9.695 ( 2.306 -0.892 0.000) 2.473 9.715 ( 2.727 0.608 0.000) 2.794 9.722 ( 0.954 0.580 0.000) 1.116 9.734 ( 1.195 -0.540 0.000) 1.311 9.778 ( -0.398 -1.791 0.000) 1.834 10.101 ( 4.050 2.011 0.000) 4.521 10.185 ( -3.377 -2.803 0.000) 4.389 10.737 ( 1.374 3.490 0.000) 3.750 10.741 ( 10.754 0.665 0.000) 10.774 10.756 ( 10.196 -0.684 0.000) 10.219 10.847 ( -7.390 -5.286 0.000) 9.086 10.950 ( 3.714 9.420 0.000) 10.126 10.967 ( 1.497 10.332 0.000) 10.440 10.996 ( -12.456 0.364 0.000) 12.462 11.004 ( -12.346 -0.379 0.000) 12.352 11.409 ( 6.404 -10.583 0.000) 12.370 11.481 ( 1.687 -16.171 0.000) 16.259 11.812 ( 0.037 0.107 0.000) 0.113 11.815 ( -0.185 -0.171 0.000) 0.252 11.908 ( 8.498 6.208 0.000) 10.524 11.994 ( 0.460 0.284 0.000) 0.540 12.001 ( -0.107 -0.313 0.000) 0.331 12.013 ( 0.151 -1.706 0.000) 1.713 12.130 ( 3.604 -0.494 0.000) 3.638 12.213 ( -4.168 -6.893 0.000) 8.055 12.423 ( 3.275 1.515 0.000) 3.608 12.458 ( 0.160 -1.648 0.000) 1.656 12.553 ( -3.289 3.763 0.000) 4.997 12.594 ( -7.964 -0.314 0.000) 7.971 12.608 ( 1.150 1.353 0.000) 1.776 12.635 ( -1.214 -1.110 0.000) 1.645 12.637 ( -1.275 2.140 0.000) 2.491 12.705 ( -8.779 -2.789 0.000) 9.212 12.897 ( 4.718 12.577 0.000) 13.433 13.061 ( -8.988 10.897 0.000) 14.125 13.204 ( 6.464 -8.108 0.000) 10.369 13.354 ( -7.492 -7.900 0.000) 10.887 13.854 ( 1.996 1.048 0.000) 2.255 13.882 ( -1.134 -0.567 0.000) 1.268 13.914 ( 0.177 -0.635 0.000) 0.659 13.931 ( -0.883 -1.226 0.000) 1.511 14.082 ( 8.377 1.049 0.000) 8.442 14.107 ( 7.943 -1.264 0.000) 8.043 14.269 ( -8.229 1.003 0.000) 8.290 14.289 ( -8.108 -0.789 0.000) 8.146 14.606 ( -2.393 1.239 0.000) 2.694 14.616 ( -3.489 0.695 0.000) 3.557 15.024 ( 1.851 -0.530 0.000) 1.926 15.034 ( 1.013 -1.147 0.000) 1.530 15.212 ( 3.053 0.344 0.000) 3.073 15.219 ( 2.985 -0.343 0.000) 3.004 15.286 ( -3.741 0.253 0.000) 3.749 15.292 ( -3.628 -0.245 0.000) 3.636 16.071 ( 0.193 0.068 0.000) 0.205 16.073 ( 0.023 -0.074 0.000) 0.077 16.135 ( 1.916 2.195 0.000) 2.914 16.153 ( 0.317 1.660 0.000) 1.690 16.217 ( 0.188 0.163 0.000) 0.249 16.218 ( 0.840 -1.352 0.000) 1.591 16.221 ( -0.126 -0.166 0.000) 0.209 16.237 ( -0.940 -1.942 0.000) 2.158 16.388 ( 8.550 0.105 0.000) 8.551 16.390 ( 8.058 0.087 0.000) 8.058 16.555 ( -7.280 1.230 0.000) 7.383 16.586 ( -9.504 -1.668 0.000) 9.649 16.884 ( -0.707 0.684 0.000) 0.983 16.901 ( -2.421 -0.714 0.000) 2.524 16.903 ( 5.763 0.650 0.000) 5.799 16.919 ( 5.634 -0.840 0.000) 5.696 17.024 ( -4.968 0.877 0.000) 5.045 17.042 ( -5.141 -0.682 0.000) 5.186 17.590 ( 5.771 -0.251 0.000) 5.776 17.629 ( 2.648 -3.530 0.000) 4.413 17.780 ( -0.883 6.415 0.000) 6.476 17.877 ( -9.455 -0.111 0.000) 9.456 17.970 ( 2.609 -3.127 0.000) 4.072 18.026 ( -3.658 -4.954 0.000) 6.158 18.156 ( -3.269 1.938 0.000) 3.800 18.196 ( -6.202 -1.920 0.000) 6.492 18.367 ( 3.787 0.383 0.000) 3.806 18.376 ( 3.702 -0.447 0.000) 3.729 18.449 ( -3.627 0.395 0.000) 3.649 18.457 ( -3.602 -0.330 0.000) 3.617 18.709 ( 1.140 3.518 0.000) 3.698 18.727 ( -0.120 1.457 0.000) 1.461 18.882 ( 6.501 1.409 0.000) 6.652 18.919 ( 4.863 -1.882 0.000) 5.215 18.989 ( 1.066 1.910 0.000) 2.188 19.022 ( -0.190 -1.126 0.000) 1.142 26.128 ( 1.261 1.618 0.000) 2.051 26.154 ( -0.984 -0.733 0.000) 1.227 26.259 ( -0.004 0.337 0.000) 0.337 26.267 ( -0.687 -0.371 0.000) 0.781 27.457 ( 2.348 1.411 0.000) 2.739 27.484 ( 1.958 -0.425 0.000) 2.004 27.517 ( -0.352 2.464 0.000) 2.489 27.574 ( -3.425 -2.176 0.000) 4.058 28.036 ( 0.521 0.475 0.000) 0.705 28.047 ( -0.543 -0.542 0.000) 0.767 28.162 ( 0.373 0.017 0.000) 0.374 28.164 ( 0.119 -0.131 0.000) 0.177 28.822 ( 9.598 0.342 0.000) 9.604 28.829 ( 9.841 -0.324 0.000) 9.846 28.907 ( 0.003 0.007 0.000) 0.007 28.907 ( -0.010 -0.006 0.000) 0.012 28.952 ( -0.024 -0.003 0.000) 0.024 28.952 ( -0.019 0.002 0.000) 0.019 28.983 ( -3.623 1.783 0.000) 4.038 29.026 ( -7.172 -2.128 0.000) 7.481 29.379 ( 9.055 3.306 0.000) 9.640 29.462 ( 6.887 -4.304 0.000) 8.122 29.599 ( -9.665 3.014 0.000) 10.124 29.652 ( -11.744 -1.908 0.000) 11.898 30.942 ( 7.990 4.635 0.000) 9.237 31.023 ( 1.587 -1.686 0.000) 2.315 31.355 ( 0.762 1.376 0.000) 1.573 31.460 ( -7.343 -6.814 0.000) 10.017 31.591 ( 5.172 0.444 0.000) 5.191 31.637 ( 0.654 -4.274 0.000) 4.323 31.982 ( 1.099 0.069 0.000) 1.101 31.983 ( 1.090 -0.070 0.000) 1.092 32.005 ( -1.028 0.068 0.000) 1.030 32.006 ( -1.049 -0.067 0.000) 1.051 32.077 ( 4.178 7.626 0.000) 8.696 32.140 ( -1.797 3.917 0.000) 4.310 33.019 ( 7.598 -10.107 0.000) 12.645 33.044 ( 3.790 -9.502 0.000) 10.230 33.420 ( -4.438 1.100 0.000) 4.572 33.432 ( -5.414 -0.277 0.000) 5.421 33.487 ( 0.943 0.514 0.000) 1.075 33.501 ( -0.174 -0.717 0.000) 0.737 33.566 ( 0.094 0.714 0.000) 0.721 33.579 ( -1.016 -0.512 0.000) 1.138 34.133 ( 3.221 7.270 0.000) 7.952 34.198 ( -2.174 2.803 0.000) 3.548 34.743 ( 0.240 5.761 0.000) 5.766 34.867 ( -10.205 -4.968 0.000) 11.350 ======================= Grid point 15 (7/30) ======================= q-point: ( 0.00 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 24 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.612 ( 0.000 0.000 31.194) 31.194 0.672 ( 0.000 0.000 33.977) 33.977 1.430 ( 0.000 0.000 64.500) 64.500 2.201 ( 0.000 0.000 12.467) 12.467 2.232 ( 0.000 0.000 21.814) 21.814 2.272 ( 0.000 0.000 1.034) 1.034 2.390 ( 0.000 0.000 8.139) 8.139 2.398 ( 0.000 0.000 -6.056) 6.056 2.654 ( 0.000 0.000 15.887) 15.887 2.657 ( 0.000 0.000 1.192) 1.192 2.679 ( 0.000 0.000 11.037) 11.037 2.767 ( 0.000 0.000 13.343) 13.343 2.966 ( 0.000 0.000 -0.911) 0.911 2.974 ( 0.000 0.000 -4.045) 4.045 3.201 ( 0.000 0.000 1.901) 1.901 3.234 ( 0.000 0.000 -5.294) 5.294 3.421 ( 0.000 0.000 3.190) 3.190 3.421 ( 0.000 0.000 6.726) 6.726 3.505 ( 0.000 0.000 16.799) 16.799 3.618 ( 0.000 0.000 7.005) 7.005 3.622 ( 0.000 0.000 11.307) 11.307 3.719 ( 0.000 0.000 3.485) 3.485 3.841 ( 0.000 0.000 -4.260) 4.260 3.847 ( 0.000 0.000 2.874) 2.874 3.894 ( 0.000 0.000 8.032) 8.032 4.020 ( 0.000 0.000 -1.523) 1.523 4.058 ( 0.000 0.000 8.136) 8.136 4.181 ( 0.000 0.000 -0.426) 0.426 4.203 ( 0.000 0.000 3.517) 3.517 4.331 ( 0.000 0.000 5.458) 5.458 4.334 ( 0.000 0.000 -3.419) 3.419 4.430 ( 0.000 0.000 0.876) 0.876 4.487 ( 0.000 0.000 3.032) 3.032 4.527 ( 0.000 0.000 0.570) 0.570 4.576 ( 0.000 0.000 -3.587) 3.587 4.603 ( 0.000 0.000 5.811) 5.811 4.631 ( 0.000 0.000 -6.231) 6.231 4.657 ( 0.000 0.000 2.605) 2.605 4.795 ( 0.000 0.000 12.951) 12.951 4.949 ( 0.000 0.000 2.129) 2.129 5.067 ( 0.000 0.000 2.022) 2.022 5.077 ( 0.000 0.000 7.033) 7.033 5.147 ( 0.000 0.000 3.459) 3.459 5.152 ( 0.000 0.000 -2.973) 2.973 5.239 ( 0.000 0.000 1.713) 1.713 5.274 ( 0.000 0.000 7.898) 7.898 5.315 ( 0.000 0.000 3.981) 3.981 5.324 ( 0.000 0.000 -8.107) 8.107 5.358 ( 0.000 0.000 14.828) 14.828 5.532 ( 0.000 0.000 -2.057) 2.057 5.552 ( 0.000 0.000 -5.116) 5.116 5.557 ( 0.000 0.000 -1.431) 1.431 5.651 ( 0.000 0.000 3.318) 3.318 5.766 ( 0.000 0.000 -0.614) 0.614 5.778 ( 0.000 0.000 -1.388) 1.388 5.828 ( 0.000 0.000 -9.633) 9.633 5.887 ( 0.000 0.000 -4.570) 4.570 5.956 ( 0.000 0.000 13.170) 13.170 6.050 ( 0.000 0.000 -2.002) 2.002 6.086 ( 0.000 0.000 14.271) 14.271 6.096 ( 0.000 0.000 -12.056) 12.056 6.308 ( 0.000 0.000 -11.453) 11.453 6.313 ( 0.000 0.000 -2.981) 2.981 6.509 ( 0.000 0.000 -11.375) 11.375 6.523 ( 0.000 0.000 2.005) 2.005 6.529 ( 0.000 0.000 2.105) 2.105 6.672 ( 0.000 0.000 -5.895) 5.895 6.706 ( 0.000 0.000 9.639) 9.639 6.811 ( 0.000 0.000 -4.518) 4.518 6.813 ( 0.000 0.000 5.732) 5.732 6.888 ( 0.000 0.000 2.350) 2.350 6.924 ( 0.000 0.000 -13.005) 13.005 6.982 ( 0.000 0.000 -18.614) 18.614 7.048 ( 0.000 0.000 -0.012) 0.012 7.110 ( 0.000 0.000 -3.897) 3.897 7.123 ( 0.000 0.000 1.922) 1.922 7.283 ( 0.000 0.000 2.762) 2.762 7.323 ( 0.000 0.000 -2.469) 2.469 7.368 ( 0.000 0.000 1.583) 1.583 7.521 ( 0.000 0.000 0.784) 0.784 7.554 ( 0.000 0.000 5.765) 5.765 7.593 ( 0.000 0.000 7.304) 7.304 7.692 ( 0.000 0.000 1.160) 1.160 7.771 ( 0.000 0.000 2.101) 2.101 7.832 ( 0.000 0.000 -3.671) 3.671 7.957 ( 0.000 0.000 -2.019) 2.019 7.988 ( 0.000 0.000 -2.802) 2.802 8.098 ( 0.000 0.000 12.347) 12.347 8.211 ( 0.000 0.000 6.709) 6.709 8.240 ( 0.000 0.000 0.202) 0.202 8.378 ( 0.000 0.000 1.047) 1.047 8.435 ( 0.000 0.000 3.197) 3.197 8.590 ( 0.000 0.000 2.452) 2.452 8.765 ( 0.000 0.000 -12.483) 12.483 8.846 ( 0.000 0.000 -4.528) 4.528 8.939 ( 0.000 0.000 -1.730) 1.730 9.140 ( 0.000 0.000 4.883) 4.883 9.191 ( 0.000 0.000 9.003) 9.003 9.339 ( 0.000 0.000 1.357) 1.357 9.411 ( 0.000 0.000 0.987) 0.987 9.527 ( 0.000 0.000 6.168) 6.168 9.544 ( 0.000 0.000 9.410) 9.410 9.575 ( 0.000 0.000 -2.556) 2.556 9.705 ( 0.000 0.000 8.956) 8.956 9.831 ( 0.000 0.000 -0.327) 0.327 9.888 ( 0.000 0.000 -0.960) 0.960 9.925 ( 0.000 0.000 6.204) 6.204 9.969 ( 0.000 0.000 0.813) 0.813 9.985 ( 0.000 0.000 0.292) 0.292 10.257 ( 0.000 0.000 -2.263) 2.263 10.502 ( 0.000 0.000 1.229) 1.229 10.518 ( 0.000 0.000 -6.935) 6.935 10.555 ( 0.000 0.000 1.135) 1.135 10.694 ( 0.000 0.000 0.785) 0.785 10.819 ( 0.000 0.000 -2.275) 2.275 10.859 ( 0.000 0.000 1.758) 1.758 10.929 ( 0.000 0.000 1.437) 1.437 11.274 ( 0.000 0.000 -5.708) 5.708 11.296 ( 0.000 0.000 -1.946) 1.946 11.439 ( 0.000 0.000 -6.152) 6.152 11.578 ( 0.000 0.000 5.741) 5.741 11.819 ( 0.000 0.000 -0.288) 0.288 11.846 ( 0.000 0.000 0.415) 0.415 11.857 ( 0.000 0.000 -2.872) 2.872 11.983 ( 0.000 0.000 -0.801) 0.801 12.061 ( 0.000 0.000 5.737) 5.737 12.095 ( 0.000 0.000 0.487) 0.487 12.158 ( 0.000 0.000 5.837) 5.837 12.191 ( 0.000 0.000 -4.697) 4.697 12.446 ( 0.000 0.000 -6.845) 6.845 12.519 ( 0.000 0.000 -0.060) 0.060 12.538 ( 0.000 0.000 -5.059) 5.059 12.613 ( 0.000 0.000 -8.519) 8.519 12.662 ( 0.000 0.000 -3.684) 3.684 12.845 ( 0.000 0.000 7.776) 7.776 13.113 ( 0.000 0.000 3.804) 3.804 13.211 ( 0.000 0.000 3.590) 3.590 13.233 ( 0.000 0.000 -1.395) 1.395 13.276 ( 0.000 0.000 3.525) 3.525 13.333 ( 0.000 0.000 -2.713) 2.713 13.611 ( 0.000 0.000 -3.707) 3.707 13.712 ( 0.000 0.000 -4.811) 4.811 13.874 ( 0.000 0.000 -0.956) 0.956 13.902 ( 0.000 0.000 -2.291) 2.291 13.909 ( 0.000 0.000 -3.463) 3.463 14.276 ( 0.000 0.000 -6.158) 6.158 14.448 ( 0.000 0.000 -0.857) 0.857 14.517 ( 0.000 0.000 1.879) 1.879 14.729 ( 0.000 0.000 0.106) 0.106 14.806 ( 0.000 0.000 -2.268) 2.268 14.827 ( 0.000 0.000 -0.236) 0.236 14.909 ( 0.000 0.000 -1.519) 1.519 15.116 ( 0.000 0.000 -3.393) 3.393 15.123 ( 0.000 0.000 -3.975) 3.975 15.323 ( 0.000 0.000 -5.050) 5.050 15.465 ( 0.000 0.000 -6.680) 6.680 16.022 ( 0.000 0.000 -0.482) 0.482 16.061 ( 0.000 0.000 -1.145) 1.145 16.087 ( 0.000 0.000 0.726) 0.726 16.113 ( 0.000 0.000 4.154) 4.154 16.139 ( 0.000 0.000 2.201) 2.201 16.155 ( 0.000 0.000 0.810) 0.810 16.195 ( 0.000 0.000 2.139) 2.139 16.211 ( 0.000 0.000 0.008) 0.008 16.373 ( 0.000 0.000 7.500) 7.500 16.510 ( 0.000 0.000 -4.706) 4.706 16.542 ( 0.000 0.000 -13.611) 13.611 16.719 ( 0.000 0.000 -0.794) 0.794 16.750 ( 0.000 0.000 -2.509) 2.509 16.764 ( 0.000 0.000 -0.379) 0.379 16.888 ( 0.000 0.000 1.079) 1.079 16.986 ( 0.000 0.000 0.216) 0.216 17.295 ( 0.000 0.000 10.021) 10.021 17.410 ( 0.000 0.000 1.792) 1.792 17.574 ( 0.000 0.000 1.073) 1.073 17.871 ( 0.000 0.000 -5.232) 5.232 17.930 ( 0.000 0.000 -0.899) 0.899 17.960 ( 0.000 0.000 6.212) 6.212 18.193 ( 0.000 0.000 -6.900) 6.900 18.220 ( 0.000 0.000 -0.838) 0.838 18.243 ( 0.000 0.000 -3.167) 3.167 18.296 ( 0.000 0.000 -5.433) 5.433 18.333 ( 0.000 0.000 3.749) 3.749 18.433 ( 0.000 0.000 -1.829) 1.829 18.449 ( 0.000 0.000 -4.450) 4.450 18.504 ( 0.000 0.000 -3.121) 3.121 18.540 ( 0.000 0.000 -2.810) 2.810 18.545 ( 0.000 0.000 0.982) 0.982 18.588 ( 0.000 0.000 0.851) 0.851 18.758 ( 0.000 0.000 -4.275) 4.275 18.844 ( 0.000 0.000 -1.753) 1.753 18.867 ( 0.000 0.000 -2.451) 2.451 26.044 ( 0.000 0.000 0.703) 0.703 26.187 ( 0.000 0.000 -0.359) 0.359 26.205 ( 0.000 0.000 0.465) 0.465 26.252 ( 0.000 0.000 -0.017) 0.017 27.384 ( 0.000 0.000 0.545) 0.545 27.390 ( 0.000 0.000 0.582) 0.582 27.464 ( 0.000 0.000 -0.272) 0.272 27.662 ( 0.000 0.000 -1.748) 1.748 27.997 ( 0.000 0.000 -0.308) 0.308 28.065 ( 0.000 0.000 -2.574) 2.574 28.116 ( 0.000 0.000 -0.291) 0.291 28.169 ( 0.000 0.000 0.122) 0.122 28.560 ( 0.000 0.000 0.249) 0.249 28.606 ( 0.000 0.000 -0.179) 0.179 28.683 ( 0.000 0.000 -0.552) 0.552 28.732 ( 0.000 0.000 -1.097) 1.097 28.906 ( 0.000 0.000 -0.080) 0.080 28.933 ( 0.000 0.000 1.963) 1.963 28.987 ( 0.000 0.000 2.879) 2.879 29.324 ( 0.000 0.000 1.232) 1.232 29.424 ( 0.000 0.000 2.896) 2.896 29.605 ( 0.000 0.000 -0.979) 0.979 29.660 ( 0.000 0.000 1.775) 1.775 30.283 ( 0.000 0.000 -3.465) 3.465 30.336 ( 0.000 0.000 0.048) 0.048 30.372 ( 0.000 0.000 -0.600) 0.600 31.316 ( 0.000 0.000 1.972) 1.972 31.417 ( 0.000 0.000 0.809) 0.809 31.427 ( 0.000 0.000 5.049) 5.049 31.640 ( 0.000 0.000 -0.393) 0.393 31.740 ( 0.000 0.000 -8.363) 8.363 31.859 ( 0.000 0.000 -3.318) 3.318 31.958 ( 0.000 0.000 0.244) 0.244 32.020 ( 0.000 0.000 -0.852) 0.852 32.064 ( 0.000 0.000 5.673) 5.673 32.341 ( 0.000 0.000 2.896) 2.896 32.395 ( 0.000 0.000 -5.796) 5.796 33.083 ( 0.000 0.000 -3.240) 3.240 33.191 ( 0.000 0.000 -8.738) 8.738 33.279 ( 0.000 0.000 -16.878) 16.878 33.476 ( 0.000 0.000 2.398) 2.398 33.570 ( 0.000 0.000 2.009) 2.009 33.928 ( 0.000 0.000 11.418) 11.418 33.988 ( 0.000 0.000 -0.887) 0.887 34.198 ( 0.000 0.000 -3.170) 3.170 34.450 ( 0.000 0.000 -1.847) 1.847 35.016 ( 0.000 0.000 -8.625) 8.625 35.125 ( 0.000 0.000 -7.784) 7.784 ======================= Grid point 16 (8/30) ======================= q-point: ( 0.20 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 40 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.085 ( 30.871 0.000 19.250) 36.381 1.329 ( 34.007 0.000 27.745) 43.889 1.850 ( 41.911 0.000 37.008) 55.912 2.208 ( 2.317 0.000 4.601) 5.151 2.253 ( 1.251 0.000 -2.502) 2.798 2.402 ( 10.794 0.000 24.270) 26.562 2.490 ( 5.725 0.000 0.202) 5.728 2.569 ( -7.059 0.000 15.786) 17.292 2.599 ( 12.126 0.000 5.561) 13.340 2.653 ( -0.685 0.000 8.071) 8.100 2.679 ( 1.495 0.000 2.952) 3.309 2.761 ( 0.426 0.000 8.164) 8.175 2.958 ( -0.167 0.000 3.399) 3.403 3.030 ( 2.838 0.000 3.931) 4.849 3.206 ( -1.195 0.000 0.906) 1.500 3.216 ( -1.952 0.000 -3.755) 4.232 3.339 ( -5.158 0.000 9.251) 10.592 3.395 ( -4.413 0.000 7.994) 9.131 3.497 ( -5.292 0.000 15.700) 16.568 3.559 ( -7.527 0.000 6.022) 9.640 3.641 ( 1.476 0.000 3.001) 3.344 3.708 ( 0.429 0.000 0.871) 0.971 3.734 ( -4.995 0.000 5.868) 7.706 3.854 ( 0.075 0.000 1.081) 1.084 3.858 ( 6.003 0.000 2.210) 6.397 4.044 ( 2.192 0.000 2.248) 3.140 4.061 ( -4.017 0.000 -1.729) 4.374 4.118 ( 2.847 0.000 0.359) 2.869 4.256 ( 1.115 0.000 5.797) 5.903 4.318 ( -1.607 0.000 -0.157) 1.615 4.324 ( 0.460 0.000 1.754) 1.814 4.447 ( -3.690 0.000 0.302) 3.702 4.499 ( 1.500 0.000 1.906) 2.425 4.534 ( 2.574 0.000 4.950) 5.580 4.610 ( 2.464 0.000 10.148) 10.443 4.659 ( 6.533 0.000 0.642) 6.564 4.704 ( 3.422 0.000 -0.266) 3.432 4.726 ( 8.229 0.000 0.251) 8.233 4.759 ( -3.554 0.000 9.728) 10.357 4.952 ( 0.025 0.000 0.699) 0.699 4.997 ( -4.443 0.000 4.710) 6.474 5.024 ( -3.775 0.000 6.399) 7.429 5.121 ( 2.519 0.000 0.175) 2.525 5.146 ( -2.112 0.000 -1.546) 2.617 5.226 ( -2.353 0.000 5.774) 6.235 5.248 ( 1.023 0.000 1.887) 2.147 5.305 ( -4.058 0.000 -1.258) 4.248 5.344 ( 0.712 0.000 5.060) 5.110 5.378 ( 3.715 0.000 6.296) 7.310 5.565 ( 2.048 0.000 -5.675) 6.033 5.575 ( 1.051 0.000 -3.945) 4.082 5.658 ( 7.261 0.000 -0.036) 7.262 5.708 ( 5.308 0.000 2.125) 5.717 5.710 ( -7.220 0.000 -0.767) 7.261 5.756 ( -0.695 0.000 -1.426) 1.587 5.855 ( 2.162 0.000 -7.445) 7.752 5.888 ( -0.154 0.000 -2.815) 2.820 5.940 ( -0.924 0.000 11.564) 11.601 6.037 ( -1.721 0.000 9.474) 9.629 6.044 ( -0.336 0.000 -4.495) 4.507 6.111 ( 1.836 0.000 -3.747) 4.173 6.352 ( 1.885 0.000 -3.505) 3.980 6.356 ( -0.046 0.000 -11.775) 11.776 6.458 ( -4.539 0.000 -3.185) 5.545 6.468 ( -1.048 0.000 1.378) 1.731 6.566 ( 5.497 0.000 -2.584) 6.074 6.669 ( -1.734 0.000 -4.245) 4.586 6.675 ( -2.956 0.000 4.772) 5.614 6.757 ( -0.132 0.000 4.681) 4.683 6.858 ( 2.505 0.000 -2.136) 3.292 6.868 ( -3.624 0.000 -9.687) 10.343 6.951 ( 2.973 0.000 -4.044) 5.020 6.980 ( -1.112 0.000 -13.784) 13.828 7.065 ( 1.677 0.000 6.166) 6.390 7.149 ( 1.716 0.000 1.541) 2.306 7.195 ( 5.356 0.000 -2.084) 5.747 7.314 ( -0.446 0.000 -2.436) 2.476 7.345 ( 4.649 0.000 3.111) 5.594 7.417 ( -6.388 0.000 -2.738) 6.950 7.426 ( 5.326 0.000 2.912) 6.070 7.559 ( -1.140 0.000 2.440) 2.693 7.590 ( -4.860 0.000 3.735) 6.129 7.672 ( 0.252 0.000 4.509) 4.516 7.707 ( -10.599 0.000 1.435) 10.695 7.798 ( 3.797 0.000 4.432) 5.836 7.810 ( -5.302 0.000 -0.550) 5.331 8.040 ( 2.057 0.000 -8.403) 8.652 8.048 ( -1.281 0.000 10.768) 10.844 8.142 ( -10.567 0.000 1.651) 10.695 8.222 ( 1.426 0.000 5.296) 5.484 8.386 ( -2.553 0.000 4.638) 5.294 8.586 ( -2.816 0.000 4.058) 4.939 8.794 ( 14.887 0.000 -10.985) 18.501 8.859 ( 5.283 0.000 -3.119) 6.135 8.897 ( 3.657 0.000 -4.049) 5.456 8.960 ( 3.625 0.000 -2.411) 4.353 9.042 ( -3.428 0.000 5.722) 6.670 9.117 ( -3.117 0.000 4.836) 5.753 9.281 ( -3.973 0.000 0.428) 3.996 9.385 ( -3.309 0.000 3.113) 4.543 9.549 ( -0.970 0.000 -3.124) 3.272 9.580 ( 5.700 0.000 -1.218) 5.829 9.605 ( -1.434 0.000 1.895) 2.376 9.667 ( 5.804 0.000 5.422) 7.943 9.753 ( -7.227 0.000 -4.589) 8.561 9.839 ( 0.729 0.000 1.274) 1.468 9.880 ( -0.278 0.000 4.986) 4.994 9.887 ( -9.097 0.000 0.584) 9.116 10.164 ( 4.248 0.000 12.781) 13.469 10.234 ( -3.296 0.000 -1.804) 3.758 10.547 ( 3.189 0.000 -2.507) 4.056 10.591 ( 7.494 0.000 0.294) 7.500 10.593 ( 4.183 0.000 -0.930) 4.285 10.708 ( -2.970 0.000 -4.181) 5.129 10.841 ( 1.203 0.000 -0.102) 1.207 11.019 ( 5.341 0.000 -0.226) 5.346 11.132 ( -0.036 0.000 -6.969) 6.969 11.237 ( -4.850 0.000 -0.484) 4.874 11.473 ( 2.699 0.000 -6.636) 7.164 11.486 ( 21.257 0.000 -16.937) 27.179 11.567 ( 2.455 0.000 -1.271) 2.765 11.822 ( 0.057 0.000 -0.592) 0.595 11.830 ( -0.902 0.000 1.018) 1.360 11.886 ( 0.815 0.000 0.300) 0.869 11.994 ( 0.131 0.000 -1.919) 1.924 12.042 ( -2.386 0.000 0.218) 2.396 12.090 ( 4.446 0.000 6.684) 8.028 12.204 ( 4.485 0.000 3.739) 5.839 12.229 ( 1.058 0.000 -7.252) 7.329 12.380 ( -1.262 0.000 -8.602) 8.694 12.540 ( 0.481 0.000 -1.562) 1.635 12.563 ( -4.010 0.000 -3.248) 5.160 12.588 ( 3.060 0.000 2.132) 3.730 12.656 ( -0.147 0.000 -3.146) 3.149 12.850 ( -1.155 0.000 4.482) 4.628 12.999 ( -13.910 0.000 5.165) 14.838 13.075 ( -11.130 0.000 2.341) 11.374 13.146 ( -2.116 0.000 1.416) 2.546 13.150 ( -8.935 0.000 -5.204) 10.340 13.306 ( 0.373 0.000 -0.192) 0.419 13.713 ( 6.212 0.000 -3.988) 7.382 13.775 ( 4.860 0.000 -5.630) 7.438 13.885 ( -1.312 0.000 -2.456) 2.784 13.910 ( -0.121 0.000 -3.555) 3.557 13.955 ( 6.466 0.000 -0.094) 6.467 14.247 ( -2.530 0.000 1.015) 2.726 14.409 ( -3.858 0.000 0.311) 3.871 14.479 ( -4.009 0.000 2.945) 4.974 14.663 ( -3.728 0.000 0.157) 3.731 14.686 ( -7.087 0.000 -2.049) 7.377 14.938 ( 6.692 0.000 -0.893) 6.751 14.974 ( 3.146 0.000 -1.219) 3.374 15.121 ( 0.773 0.000 -3.926) 4.001 15.130 ( 1.057 0.000 -4.352) 4.478 15.295 ( -2.558 0.000 -5.165) 5.764 15.383 ( -6.157 0.000 -3.235) 6.955 16.042 ( 1.273 0.000 -0.985) 1.609 16.066 ( 0.638 0.000 -0.472) 0.794 16.097 ( 0.397 0.000 1.006) 1.081 16.125 ( 0.750 0.000 1.824) 1.972 16.190 ( 3.810 0.000 2.536) 4.577 16.191 ( 1.720 0.000 -0.597) 1.820 16.230 ( 2.904 0.000 -0.141) 2.908 16.237 ( 4.594 0.000 -0.036) 4.594 16.364 ( -0.829 0.000 6.524) 6.577 16.401 ( -8.370 0.000 7.010) 10.918 16.523 ( -1.840 0.000 -11.344) 11.492 16.623 ( -3.633 0.000 -6.210) 7.195 16.763 ( 3.430 0.000 -1.064) 3.591 16.790 ( 3.602 0.000 -2.037) 4.138 16.945 ( -2.333 0.000 0.651) 2.422 16.985 ( 1.395 0.000 -3.564) 3.827 17.175 ( -9.980 0.000 4.997) 11.161 17.264 ( -13.963 0.000 5.479) 14.999 17.641 ( 4.826 0.000 0.995) 4.927 17.660 ( -3.511 0.000 8.246) 8.963 17.824 ( -6.789 0.000 3.781) 7.771 17.987 ( 0.581 0.000 -1.880) 1.968 18.105 ( -10.842 0.000 -0.157) 10.843 18.157 ( -5.215 0.000 -1.149) 5.340 18.218 ( -0.261 0.000 -2.654) 2.667 18.244 ( -1.592 0.000 -0.838) 1.799 18.301 ( 1.253 0.000 -3.002) 3.253 18.303 ( -8.173 0.000 -4.792) 9.474 18.438 ( -0.827 0.000 -5.727) 5.786 18.500 ( -1.398 0.000 -1.727) 2.222 18.576 ( 1.594 0.000 -1.453) 2.157 18.627 ( 5.081 0.000 -1.012) 5.181 18.709 ( 8.671 0.000 0.644) 8.695 18.803 ( 4.301 0.000 -2.834) 5.150 18.895 ( 3.760 0.000 -1.351) 3.995 18.945 ( 5.032 0.000 -2.722) 5.721 26.063 ( 1.732 0.000 0.579) 1.826 26.188 ( -0.795 0.000 -0.525) 0.953 26.251 ( 1.823 0.000 -1.668) 2.471 26.251 ( 0.026 0.000 0.032) 0.041 27.409 ( 1.858 0.000 0.398) 1.900 27.428 ( 3.303 0.000 0.434) 3.331 27.465 ( 0.126 0.000 -0.115) 0.171 27.644 ( -1.716 0.000 -1.241) 2.117 28.010 ( 0.891 0.000 -0.202) 0.914 28.056 ( -0.586 0.000 -1.793) 1.886 28.129 ( 1.129 0.000 -0.705) 1.331 28.161 ( -0.417 0.000 -0.224) 0.474 28.632 ( 6.583 0.000 0.082) 6.583 28.666 ( 5.659 0.000 -0.053) 5.659 28.795 ( 7.613 0.000 -2.557) 8.031 28.853 ( 5.174 0.000 -4.536) 6.880 28.908 ( 0.233 0.000 0.137) 0.270 28.956 ( 2.736 0.000 2.769) 3.892 28.985 ( -0.016 0.000 2.765) 2.765 29.280 ( -4.167 0.000 1.398) 4.395 29.344 ( -5.613 0.000 5.679) 7.985 29.522 ( -0.363 0.000 4.349) 4.364 29.640 ( -2.024 0.000 1.801) 2.709 29.971 ( -15.475 0.000 -0.618) 15.488 30.632 ( 13.708 0.000 -2.131) 13.872 30.770 ( 16.245 0.000 -16.474) 23.136 31.366 ( 0.544 0.000 3.549) 3.590 31.425 ( 5.000 0.000 1.848) 5.330 31.605 ( -3.427 0.000 -2.833) 4.447 31.665 ( 14.932 0.000 -10.964) 18.525 31.751 ( 0.154 0.000 -4.118) 4.121 31.876 ( 1.562 0.000 -3.889) 4.191 31.969 ( 1.058 0.000 0.331) 1.109 32.014 ( -0.501 0.000 -0.836) 0.975 32.047 ( -1.015 0.000 5.412) 5.506 32.237 ( -5.079 0.000 4.224) 6.605 32.602 ( 13.851 0.000 -16.957) 21.895 33.087 ( 0.400 0.000 -4.204) 4.223 33.172 ( -2.168 0.000 -10.471) 10.694 33.236 ( -3.722 0.000 -16.495) 16.909 33.484 ( 0.766 0.000 2.111) 2.246 33.564 ( -0.609 0.000 1.979) 2.070 33.897 ( -2.294 0.000 12.124) 12.339 33.993 ( 0.629 0.000 -0.621) 0.884 34.165 ( -2.935 0.000 -1.992) 3.547 34.442 ( -30.320 0.000 20.952) 36.855 34.492 ( 4.160 0.000 -3.278) 5.296 35.069 ( -8.604 0.000 -8.609) 12.171 ======================= Grid point 17 (9/30) ======================= q-point: ( 0.40 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 40 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.725 ( 26.995 0.000 8.643) 28.345 1.886 ( 22.598 0.000 29.410) 37.089 2.135 ( -9.513 0.000 2.498) 9.835 2.303 ( -10.831 0.000 14.379) 18.002 2.408 ( 5.478 0.000 4.717) 7.229 2.530 ( -0.640 0.000 9.820) 9.841 2.604 ( 5.293 0.000 1.778) 5.584 2.634 ( 8.967 0.000 17.037) 19.253 2.709 ( 0.519 0.000 12.864) 12.875 2.719 ( 14.682 0.000 7.939) 16.691 2.781 ( 1.181 0.000 2.589) 2.845 2.862 ( -2.386 0.000 1.498) 2.818 2.884 ( -0.856 0.000 2.780) 2.909 3.047 ( -1.869 0.000 7.017) 7.262 3.088 ( 2.878 0.000 1.957) 3.481 3.230 ( 1.522 0.000 9.925) 10.041 3.252 ( -9.560 0.000 6.836) 11.752 3.293 ( -7.767 0.000 16.470) 18.209 3.317 ( 10.624 0.000 14.277) 17.796 3.569 ( 5.831 0.000 0.287) 5.838 3.593 ( -9.278 0.000 4.991) 10.535 3.665 ( -1.628 0.000 2.442) 2.935 3.759 ( 5.598 0.000 0.667) 5.637 3.860 ( -1.306 0.000 1.351) 1.879 3.927 ( 2.821 0.000 2.263) 3.617 4.051 ( -5.086 0.000 -1.392) 5.273 4.108 ( 4.393 0.000 -2.357) 4.986 4.158 ( -0.824 0.000 1.572) 1.775 4.260 ( 0.684 0.000 2.479) 2.571 4.323 ( 1.189 0.000 0.087) 1.192 4.367 ( 3.075 0.000 -0.319) 3.092 4.415 ( -0.587 0.000 1.222) 1.356 4.475 ( -7.103 0.000 0.928) 7.163 4.479 ( -1.891 0.000 3.089) 3.622 4.653 ( 1.556 0.000 10.094) 10.213 4.693 ( -2.387 0.000 5.607) 6.094 4.731 ( 3.557 0.000 10.603) 11.184 4.801 ( 0.001 0.000 4.399) 4.399 4.927 ( 13.627 0.000 0.574) 13.639 4.944 ( -1.123 0.000 3.214) 3.404 4.963 ( -0.730 0.000 3.855) 3.924 5.033 ( 4.661 0.000 4.362) 6.384 5.084 ( -0.677 0.000 0.921) 1.143 5.162 ( -7.515 0.000 -0.275) 7.520 5.183 ( -1.885 0.000 7.127) 7.372 5.263 ( -4.565 0.000 1.417) 4.780 5.299 ( 12.374 0.000 -2.171) 12.563 5.358 ( 1.111 0.000 2.883) 3.090 5.415 ( -1.092 0.000 1.154) 1.589 5.507 ( -8.630 0.000 -1.032) 8.692 5.569 ( 2.251 0.000 -2.960) 3.719 5.663 ( 6.279 0.000 -5.308) 8.222 5.700 ( -6.413 0.000 -3.844) 7.477 5.747 ( 0.135 0.000 1.499) 1.505 5.878 ( -0.365 0.000 0.927) 0.997 5.886 ( 0.160 0.000 3.567) 3.570 5.905 ( 7.336 0.000 -5.978) 9.463 5.925 ( 0.948 0.000 4.300) 4.404 6.030 ( 0.039 0.000 2.019) 2.020 6.043 ( -0.675 0.000 -6.423) 6.458 6.158 ( 1.225 0.000 -7.422) 7.522 6.230 ( -7.789 0.000 -3.621) 8.590 6.315 ( 5.259 0.000 -7.594) 9.237 6.462 ( 0.404 0.000 -2.023) 2.063 6.524 ( 5.033 0.000 0.563) 5.065 6.623 ( 3.868 0.000 1.611) 4.190 6.626 ( -2.876 0.000 6.377) 6.996 6.767 ( 0.805 0.000 7.693) 7.735 6.771 ( -7.185 0.000 -6.163) 9.466 6.827 ( 9.520 0.000 -6.394) 11.468 6.835 ( -6.185 0.000 8.097) 10.189 6.905 ( -4.444 0.000 -10.706) 11.591 6.943 ( -0.874 0.000 -3.476) 3.584 7.064 ( -8.310 0.000 -2.042) 8.558 7.167 ( 6.977 0.000 1.477) 7.132 7.274 ( -3.028 0.000 -3.925) 4.957 7.306 ( 5.903 0.000 -2.117) 6.271 7.383 ( 2.077 0.000 -1.971) 2.863 7.393 ( 0.150 0.000 5.859) 5.861 7.432 ( -5.682 0.000 4.349) 7.156 7.492 ( -0.119 0.000 2.788) 2.791 7.556 ( -7.182 0.000 1.902) 7.429 7.614 ( 7.754 0.000 -2.628) 8.188 7.713 ( -3.172 0.000 -0.815) 3.275 7.738 ( 4.669 0.000 8.133) 9.378 7.900 ( -10.636 0.000 5.109) 11.799 7.903 ( 5.658 0.000 5.403) 7.824 8.031 ( -4.139 0.000 -0.470) 4.166 8.041 ( 1.762 0.000 5.579) 5.851 8.185 ( -13.151 0.000 3.309) 13.561 8.290 ( 5.096 0.000 3.697) 6.296 8.420 ( -7.574 0.000 7.746) 10.834 8.960 ( 2.354 0.000 -2.458) 3.403 8.980 ( 5.167 0.000 -2.093) 5.575 9.001 ( -0.163 0.000 3.030) 3.034 9.001 ( 5.350 0.000 -6.431) 8.365 9.125 ( 10.322 0.000 -7.999) 13.058 9.241 ( 4.497 0.000 -0.582) 4.535 9.284 ( 10.900 0.000 3.316) 11.394 9.311 ( -3.598 0.000 1.414) 3.867 9.386 ( -13.023 0.000 -9.279) 15.991 9.554 ( -9.391 0.000 -0.653) 9.413 9.612 ( -2.402 0.000 -2.768) 3.665 9.634 ( -7.388 0.000 -0.476) 7.403 9.718 ( 3.635 0.000 3.944) 5.364 9.753 ( 2.036 0.000 0.635) 2.133 9.944 ( 5.746 0.000 6.496) 8.673 9.945 ( 6.189 0.000 4.995) 7.953 10.141 ( -5.408 0.000 -0.927) 5.487 10.147 ( -5.346 0.000 4.782) 7.172 10.658 ( 6.654 0.000 -4.536) 8.053 10.694 ( 3.894 0.000 -1.189) 4.071 10.726 ( 7.559 0.000 -1.292) 7.668 10.737 ( 3.513 0.000 -2.248) 4.171 10.862 ( -0.439 0.000 -1.162) 1.242 10.970 ( -10.386 0.000 -3.302) 10.899 11.010 ( -3.380 0.000 3.922) 5.177 11.080 ( -8.566 0.000 3.643) 9.309 11.575 ( 5.897 0.000 -5.068) 7.775 11.611 ( 2.928 0.000 -0.241) 2.938 11.758 ( 2.546 0.000 -11.644) 11.919 11.809 ( -2.360 0.000 -1.061) 2.588 11.848 ( 1.913 0.000 -2.117) 2.853 11.855 ( -0.746 0.000 -1.642) 1.803 12.010 ( 0.451 0.000 0.687) 0.822 12.014 ( -0.530 0.000 0.729) 0.901 12.212 ( 2.543 0.000 0.574) 2.607 12.228 ( -0.427 0.000 -9.092) 9.102 12.278 ( 7.089 0.000 -3.786) 8.037 12.457 ( -7.046 0.000 1.816) 7.277 12.505 ( 9.600 0.000 -0.429) 9.610 12.552 ( 0.532 0.000 -1.160) 1.277 12.602 ( -0.526 0.000 0.536) 0.751 12.698 ( 4.286 0.000 2.674) 5.052 12.722 ( -8.268 0.000 6.683) 10.631 12.809 ( -5.616 0.000 3.565) 6.652 12.855 ( -7.513 0.000 4.810) 8.921 12.869 ( -9.780 0.000 2.912) 10.204 13.230 ( 4.109 0.000 -10.435) 11.215 13.293 ( -1.716 0.000 -5.764) 6.014 13.812 ( 3.140 0.000 -3.116) 4.424 13.855 ( -1.471 0.000 -2.136) 2.594 13.872 ( 3.239 0.000 -4.425) 5.484 13.904 ( -0.495 0.000 -3.457) 3.492 14.119 ( 8.890 0.000 1.698) 9.051 14.221 ( 1.758 0.000 5.593) 5.862 14.291 ( -7.006 0.000 2.565) 7.461 14.341 ( -8.296 0.000 3.170) 8.881 14.588 ( -1.892 0.000 -0.564) 1.974 14.596 ( -2.276 0.000 0.296) 2.295 15.026 ( 1.861 0.000 -1.309) 2.275 15.033 ( 1.875 0.000 -1.203) 2.228 15.157 ( 2.741 0.000 -4.757) 5.490 15.175 ( 3.124 0.000 -4.515) 5.491 15.227 ( -3.600 0.000 -5.207) 6.330 15.260 ( -5.126 0.000 -3.965) 6.481 16.063 ( 0.762 0.000 -0.689) 1.027 16.075 ( -0.261 0.000 -0.071) 0.270 16.109 ( 1.204 0.000 -0.196) 1.220 16.129 ( -0.453 0.000 0.141) 0.475 16.216 ( 1.384 0.000 0.523) 1.480 16.250 ( 0.503 0.000 2.929) 2.972 16.283 ( -1.890 0.000 3.397) 3.887 16.297 ( 0.245 0.000 1.287) 1.310 16.372 ( 7.484 0.000 -1.366) 7.608 16.378 ( 4.667 0.000 -0.167) 4.670 16.474 ( -3.352 0.000 -6.026) 6.895 16.538 ( -6.582 0.000 -5.572) 8.624 16.820 ( 1.881 0.000 -2.214) 2.905 16.885 ( 5.150 0.000 -0.752) 5.204 16.892 ( -6.381 0.000 -0.324) 6.389 16.951 ( 3.110 0.000 0.510) 3.152 17.017 ( -7.804 0.000 0.092) 7.805 17.031 ( -4.614 0.000 0.004) 4.614 17.699 ( 4.960 0.000 2.881) 5.737 17.707 ( 0.794 0.000 1.571) 1.761 17.724 ( -1.796 0.000 5.890) 6.158 17.869 ( -10.412 0.000 1.555) 10.528 18.034 ( 4.008 0.000 -4.459) 5.996 18.084 ( -0.314 0.000 1.333) 1.370 18.135 ( -4.112 0.000 2.386) 4.754 18.147 ( -6.551 0.000 -5.538) 8.578 18.308 ( 4.174 0.000 -5.775) 7.125 18.359 ( 3.823 0.000 -2.595) 4.620 18.392 ( -3.505 0.000 -5.373) 6.416 18.443 ( -3.776 0.000 -1.893) 4.224 18.622 ( 2.735 0.000 -2.179) 3.497 18.667 ( -0.940 0.000 -2.715) 2.873 18.868 ( 6.081 0.000 0.000) 6.081 18.936 ( 6.252 0.000 -1.856) 6.521 18.939 ( -0.435 0.000 -0.829) 0.936 19.006 ( -0.017 0.000 -2.416) 2.416 26.109 ( 2.465 0.000 0.238) 2.476 26.158 ( -2.056 0.000 -0.197) 2.066 26.255 ( 0.397 0.000 0.008) 0.397 26.263 ( -0.203 0.000 -0.539) 0.575 27.446 ( 1.438 0.000 0.427) 1.500 27.465 ( -0.349 0.000 0.200) 0.402 27.511 ( 4.220 0.000 0.090) 4.221 27.591 ( -3.314 0.000 -0.449) 3.344 28.027 ( 0.823 0.000 -0.275) 0.868 28.044 ( -0.700 0.000 -0.833) 1.088 28.151 ( 0.672 0.000 -0.968) 1.178 28.156 ( -0.064 0.000 -0.712) 0.715 28.802 ( 8.222 0.000 -1.031) 8.286 28.820 ( 7.498 0.000 -0.754) 7.536 28.877 ( 0.757 0.000 -2.005) 2.143 28.897 ( -0.537 0.000 -2.783) 2.835 28.919 ( 1.196 0.000 0.961) 1.534 28.993 ( -2.851 0.000 1.859) 3.404 29.002 ( 2.507 0.000 3.620) 4.403 29.133 ( -8.730 0.000 4.544) 9.842 29.364 ( 8.677 0.000 2.119) 8.932 29.557 ( 3.075 0.000 2.631) 4.047 29.565 ( -6.302 0.000 1.663) 6.518 29.680 ( -10.952 0.000 0.919) 10.990 30.864 ( 8.194 0.000 -2.864) 8.680 30.946 ( 1.500 0.000 -7.679) 7.824 31.372 ( 3.126 0.000 1.974) 3.697 31.494 ( -6.803 0.000 -2.447) 7.230 31.599 ( 8.544 0.000 -0.147) 8.545 31.724 ( -3.191 0.000 -0.423) 3.219 31.860 ( 4.568 0.000 -7.217) 8.542 31.901 ( 0.084 0.000 -4.664) 4.665 31.990 ( 0.600 0.000 0.381) 0.710 32.002 ( -0.637 0.000 -0.528) 0.827 32.058 ( 2.597 0.000 4.012) 4.779 32.137 ( -4.494 0.000 4.325) 6.237 32.882 ( 11.571 0.000 -22.377) 25.192 33.075 ( -7.168 0.000 -18.126) 19.492 33.106 ( 1.701 0.000 -7.296) 7.492 33.159 ( -3.153 0.000 -11.171) 11.607 33.509 ( 1.616 0.000 1.775) 2.400 33.543 ( -1.386 0.000 1.858) 2.318 33.876 ( 1.479 0.000 14.217) 14.294 34.004 ( -9.489 0.000 15.334) 18.033 34.027 ( -0.393 0.000 3.572) 3.593 34.090 ( -3.767 0.000 -0.478) 3.797 34.626 ( 8.645 0.000 -5.393) 10.189 34.843 ( -11.615 0.000 -7.005) 13.564 ======================= Grid point 20 (10/30) ======================= q-point: ( 0.00 0.33 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.034 ( 0.000 32.117 17.508) 36.579 1.121 ( 0.000 28.980 23.171) 37.105 1.665 ( 0.000 -18.286 13.641) 22.813 1.711 ( 0.000 -29.673 19.850) 35.700 1.924 ( 0.000 26.140 39.796) 47.613 2.411 ( 0.000 2.055 4.067) 4.556 2.478 ( 0.000 5.376 1.195) 5.508 2.621 ( 0.000 -4.019 8.828) 9.699 2.633 ( 0.000 -6.050 1.996) 6.370 2.656 ( 0.000 -2.805 9.877) 10.267 2.719 ( 0.000 -3.417 6.616) 7.446 2.834 ( 0.000 14.402 5.528) 15.426 2.863 ( 0.000 2.698 10.099) 10.454 2.939 ( 0.000 -20.186 17.076) 26.440 3.065 ( 0.000 -8.368 0.370) 8.376 3.122 ( 0.000 -10.231 10.919) 14.963 3.329 ( 0.000 11.000 1.014) 11.046 3.457 ( 0.000 12.618 3.223) 13.023 3.602 ( 0.000 6.136 8.117) 10.176 3.669 ( 0.000 -4.607 5.843) 7.441 3.703 ( 0.000 -19.155 1.223) 19.194 3.703 ( 0.000 3.240 0.990) 3.387 3.819 ( 0.000 -7.506 2.934) 8.059 3.829 ( 0.000 -0.248 -1.598) 1.617 3.879 ( 0.000 6.874 6.613) 9.539 3.956 ( 0.000 -0.573 4.515) 4.551 4.006 ( 0.000 13.600 9.331) 16.493 4.161 ( 0.000 -0.788 -3.210) 3.306 4.250 ( 0.000 -3.378 2.159) 4.009 4.264 ( 0.000 -4.159 1.225) 4.336 4.406 ( 0.000 3.465 5.999) 6.927 4.428 ( 0.000 -2.920 2.367) 3.759 4.441 ( 0.000 -1.503 3.531) 3.837 4.464 ( 0.000 -3.003 -0.705) 3.085 4.506 ( 0.000 -2.583 -1.389) 2.933 4.548 ( 0.000 -1.944 2.841) 3.442 4.633 ( 0.000 0.398 4.076) 4.095 4.700 ( 0.000 -6.521 9.467) 11.496 4.818 ( 0.000 7.177 -3.993) 8.213 4.921 ( 0.000 -3.352 -0.020) 3.352 4.989 ( 0.000 -4.275 7.679) 8.789 4.992 ( 0.000 -2.136 0.102) 2.138 5.166 ( 0.000 0.750 4.461) 4.524 5.167 ( 0.000 0.352 8.898) 8.905 5.268 ( 0.000 2.413 0.259) 2.427 5.296 ( 0.000 0.920 4.945) 5.029 5.357 ( 0.000 6.839 3.598) 7.727 5.398 ( 0.000 3.484 -5.428) 6.450 5.422 ( 0.000 3.209 1.036) 3.372 5.469 ( 0.000 -2.558 -3.197) 4.094 5.540 ( 0.000 -0.343 -0.017) 0.343 5.558 ( 0.000 0.512 -0.486) 0.706 5.692 ( 0.000 -7.862 -0.242) 7.865 5.693 ( 0.000 -6.599 2.292) 6.986 5.815 ( 0.000 2.265 -1.394) 2.659 5.820 ( 0.000 1.524 -1.928) 2.458 5.948 ( 0.000 2.654 -0.365) 2.679 5.966 ( 0.000 -0.025 -2.699) 2.700 6.051 ( 0.000 1.308 0.140) 1.315 6.058 ( 0.000 1.134 -0.995) 1.509 6.297 ( 0.000 14.244 -7.670) 16.178 6.302 ( 0.000 4.653 -12.200) 13.057 6.384 ( 0.000 4.224 -8.486) 9.479 6.489 ( 0.000 -8.443 -7.579) 11.346 6.497 ( 0.000 3.013 0.248) 3.023 6.592 ( 0.000 -7.389 4.597) 8.702 6.647 ( 0.000 4.885 0.009) 4.885 6.685 ( 0.000 5.577 -2.225) 6.005 6.810 ( 0.000 1.765 -4.480) 4.815 6.813 ( 0.000 -3.851 7.141) 8.113 6.882 ( 0.000 -5.501 7.254) 9.104 6.897 ( 0.000 -4.656 -3.392) 5.761 6.998 ( 0.000 3.600 -1.493) 3.897 7.037 ( 0.000 1.056 -6.751) 6.833 7.108 ( 0.000 7.204 -5.954) 9.346 7.211 ( 0.000 5.017 3.085) 5.890 7.267 ( 0.000 -3.108 1.924) 3.655 7.281 ( 0.000 -3.024 2.013) 3.633 7.421 ( 0.000 -0.414 0.105) 0.427 7.459 ( 0.000 -10.038 3.236) 10.547 7.528 ( 0.000 1.992 -3.086) 3.673 7.582 ( 0.000 5.255 3.866) 6.524 7.655 ( 0.000 -7.664 -1.736) 7.858 7.691 ( 0.000 -3.718 1.270) 3.929 7.931 ( 0.000 4.592 -1.827) 4.942 8.006 ( 0.000 -1.153 -1.915) 2.235 8.107 ( 0.000 8.741 -0.805) 8.778 8.185 ( 0.000 -0.965 5.311) 5.398 8.209 ( 0.000 2.111 3.482) 4.072 8.234 ( 0.000 -1.213 -1.206) 1.711 8.388 ( 0.000 -0.072 4.120) 4.121 8.397 ( 0.000 0.944 1.661) 1.910 8.713 ( 0.000 1.095 -8.825) 8.893 8.747 ( 0.000 -3.764 -7.553) 8.440 8.852 ( 0.000 13.565 -0.938) 13.598 8.984 ( 0.000 2.641 2.483) 3.625 9.108 ( 0.000 -4.842 9.464) 10.631 9.181 ( 0.000 -4.685 1.219) 4.841 9.279 ( 0.000 -2.641 2.268) 3.481 9.380 ( 0.000 -4.630 0.154) 4.632 9.526 ( 0.000 0.121 6.444) 6.445 9.526 ( 0.000 0.360 6.516) 6.526 9.655 ( 0.000 6.773 2.239) 7.134 9.728 ( 0.000 -0.218 11.947) 11.949 9.752 ( 0.000 -1.257 3.794) 3.997 9.788 ( 0.000 -3.795 -0.668) 3.854 9.966 ( 0.000 0.244 -0.960) 0.990 9.967 ( 0.000 -0.025 -0.373) 0.374 10.082 ( 0.000 8.046 -0.775) 8.083 10.209 ( 0.000 -3.683 -6.775) 7.711 10.501 ( 0.000 -0.121 -1.755) 1.759 10.508 ( 0.000 -0.902 -6.492) 6.554 10.586 ( 0.000 1.756 2.141) 2.769 10.651 ( 0.000 -3.682 1.234) 3.883 10.824 ( 0.000 0.629 -3.836) 3.887 10.855 ( 0.000 -1.995 -0.806) 2.151 11.013 ( 0.000 7.681 -3.286) 8.355 11.213 ( 0.000 -9.189 -3.938) 9.997 11.331 ( 0.000 4.616 0.019) 4.616 11.385 ( 0.000 -2.257 0.339) 2.282 11.644 ( 0.000 6.872 1.695) 7.078 11.783 ( 0.000 -5.106 -3.204) 6.028 11.851 ( 0.000 1.956 1.818) 2.671 11.876 ( 0.000 0.016 2.377) 2.377 12.054 ( 0.000 0.817 4.733) 4.803 12.059 ( 0.000 -0.145 5.444) 5.446 12.184 ( 0.000 3.232 2.062) 3.834 12.215 ( 0.000 1.319 -5.210) 5.374 12.231 ( 0.000 10.646 -12.032) 16.065 12.384 ( 0.000 -3.499 -3.402) 4.880 12.404 ( 0.000 -7.277 -6.547) 9.788 12.425 ( 0.000 -7.587 -0.518) 7.604 12.653 ( 0.000 2.346 -5.258) 5.758 12.687 ( 0.000 -0.599 -2.413) 2.487 12.917 ( 0.000 5.054 9.454) 10.720 13.013 ( 0.000 -5.061 11.993) 13.017 13.197 ( 0.000 1.242 0.618) 1.387 13.226 ( 0.000 -1.078 -0.798) 1.341 13.420 ( 0.000 6.291 -7.323) 9.654 13.459 ( 0.000 5.038 -11.274) 12.349 13.631 ( 0.000 2.625 -4.152) 4.912 13.691 ( 0.000 -2.133 -5.383) 5.790 13.891 ( 0.000 0.853 -2.658) 2.791 13.904 ( 0.000 -0.471 -3.231) 3.265 13.946 ( 0.000 5.673 -0.283) 5.680 14.124 ( 0.000 -10.248 -2.212) 10.484 14.523 ( 0.000 0.748 2.491) 2.601 14.531 ( 0.000 1.897 0.878) 2.090 14.715 ( 0.000 1.566 -2.222) 2.718 14.779 ( 0.000 -2.736 -3.371) 4.341 14.846 ( 0.000 1.769 -0.426) 1.820 14.888 ( 0.000 -1.907 -1.121) 2.212 15.117 ( 0.000 0.132 -3.616) 3.618 15.121 ( 0.000 -0.203 -3.893) 3.898 15.342 ( 0.000 1.941 -4.077) 4.515 15.404 ( 0.000 -4.057 -3.357) 5.266 16.040 ( 0.000 1.409 -0.554) 1.514 16.061 ( 0.000 -0.363 -1.009) 1.073 16.098 ( 0.000 1.243 0.309) 1.281 16.117 ( 0.000 0.395 3.649) 3.671 16.130 ( 0.000 -0.723 2.645) 2.742 16.134 ( 0.000 -1.817 0.226) 1.831 16.197 ( 0.000 0.166 1.282) 1.293 16.203 ( 0.000 -0.504 0.216) 0.548 16.385 ( 0.000 1.656 7.021) 7.213 16.453 ( 0.000 -4.622 3.245) 5.648 16.575 ( 0.000 2.796 -10.395) 10.764 16.653 ( 0.000 -5.437 -2.902) 6.163 16.733 ( 0.000 0.493 -1.114) 1.218 16.745 ( 0.000 -0.485 -2.116) 2.171 16.918 ( 0.000 2.635 0.587) 2.700 16.973 ( 0.000 -2.017 -0.380) 2.053 17.308 ( 0.000 1.454 9.841) 9.948 17.370 ( 0.000 -4.386 6.541) 7.875 17.557 ( 0.000 -1.312 2.840) 3.129 17.568 ( 0.000 -5.807 10.345) 11.863 17.937 ( 0.000 0.736 1.111) 1.333 17.953 ( 0.000 -0.652 4.311) 4.360 18.191 ( 0.000 -0.033 -6.460) 6.460 18.194 ( 0.000 -0.330 -5.306) 5.316 18.262 ( 0.000 1.581 -2.145) 2.665 18.296 ( 0.000 -1.547 -0.023) 1.547 18.404 ( 0.000 0.787 -3.762) 3.843 18.426 ( 0.000 -1.510 -3.561) 3.868 18.507 ( 0.000 0.532 -2.401) 2.460 18.519 ( 0.000 -0.739 -1.901) 2.040 18.574 ( 0.000 0.948 -0.651) 1.150 18.574 ( 0.000 1.597 -2.106) 2.643 18.635 ( 0.000 6.991 -5.188) 8.706 18.739 ( 0.000 -2.828 -4.639) 5.433 18.853 ( 0.000 1.447 -2.708) 3.070 18.881 ( 0.000 -0.295 -4.305) 4.315 26.151 ( 0.000 4.268 -2.990) 5.211 26.184 ( 0.000 -0.402 -0.489) 0.633 26.212 ( 0.000 1.026 -0.085) 1.030 26.241 ( 0.000 -1.116 -0.542) 1.241 27.385 ( 0.000 0.108 0.549) 0.560 27.388 ( 0.000 -0.124 0.563) 0.576 27.580 ( 0.000 5.997 -5.628) 8.224 27.649 ( 0.000 -1.503 -2.930) 3.293 28.023 ( 0.000 1.869 -2.496) 3.118 28.053 ( 0.000 -1.072 -2.918) 3.109 28.130 ( 0.000 1.168 -0.150) 1.178 28.155 ( 0.000 -1.175 0.063) 1.177 28.571 ( 0.000 1.020 -0.013) 1.021 28.594 ( 0.000 -1.057 -0.191) 1.074 28.697 ( 0.000 1.202 -0.707) 1.395 28.721 ( 0.000 -1.003 -0.977) 1.400 28.912 ( 0.000 0.554 0.152) 0.575 28.925 ( 0.000 -0.616 0.981) 1.158 29.024 ( 0.000 3.785 5.535) 6.705 29.168 ( 0.000 -11.693 9.775) 15.240 29.366 ( 0.000 1.094 4.152) 4.294 29.403 ( 0.000 -1.827 3.089) 3.589 30.124 ( 0.000 13.400 -13.224) 18.826 30.256 ( 0.000 -2.682 -4.933) 5.615 30.350 ( 0.000 1.397 -1.436) 2.004 30.373 ( 0.000 -0.371 -2.083) 2.116 31.337 ( 0.000 2.063 1.477) 2.538 31.387 ( 0.000 -2.462 0.968) 2.645 31.493 ( 0.000 6.663 3.666) 7.605 31.670 ( 0.000 -8.516 -2.713) 8.938 31.710 ( 0.000 4.644 -6.240) 7.779 31.785 ( 0.000 -3.432 -6.014) 6.924 31.963 ( 0.000 0.593 0.677) 0.900 31.991 ( 0.000 -2.714 2.789) 3.892 32.107 ( 0.000 7.385 1.571) 7.550 32.284 ( 0.000 -8.919 0.689) 8.946 32.574 ( 0.000 16.531 0.996) 16.561 32.903 ( 0.000 -14.417 -1.860) 14.537 33.218 ( 0.000 1.354 -12.120) 12.196 33.253 ( 0.000 -1.992 -15.792) 15.918 33.501 ( 0.000 2.096 2.127) 2.986 33.547 ( 0.000 -2.082 2.209) 3.035 33.956 ( 0.000 3.212 12.630) 13.032 34.042 ( 0.000 3.455 -1.071) 3.617 34.120 ( 0.000 -12.697 15.327) 19.903 34.154 ( 0.000 -4.058 -2.479) 4.756 35.100 ( 0.000 2.574 -10.570) 10.879 35.123 ( 0.000 -0.305 -8.471) 8.476 ======================= Grid point 21 (11/30) ======================= q-point: ( 0.20 0.33 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.341 ( 22.308 21.606 15.629) 34.766 1.519 ( 28.053 17.323 22.698) 40.028 1.841 ( 12.216 -25.529 14.744) 31.911 1.940 ( 19.713 -18.835 10.615) 29.258 2.166 ( 18.478 18.932 22.255) 34.571 2.391 ( -2.447 -5.410 9.257) 10.997 2.502 ( 5.845 8.163 1.341) 10.129 2.633 ( -3.067 2.121 15.892) 16.323 2.644 ( 2.478 0.251 8.934) 9.275 2.690 ( 4.377 -1.467 0.713) 4.671 2.788 ( 5.399 -2.457 6.105) 8.512 2.840 ( 1.754 14.106 6.610) 15.676 2.873 ( -0.808 9.667 11.599) 15.121 3.037 ( 5.677 -15.947 2.714) 17.144 3.126 ( 1.454 -9.517 8.482) 12.831 3.144 ( 5.903 -13.495 7.217) 16.403 3.325 ( -1.699 5.496 1.674) 5.991 3.386 ( -4.597 7.896 6.766) 11.369 3.543 ( -11.013 -3.196 9.690) 15.013 3.552 ( -9.814 -2.057 2.008) 10.227 3.642 ( -3.175 -2.241 5.056) 6.377 3.695 ( -1.313 0.982 3.888) 4.220 3.768 ( 1.293 -2.407 -1.815) 3.281 3.805 ( -1.312 1.068 4.228) 4.554 3.829 ( 0.644 1.524 4.103) 4.424 4.002 ( -1.220 4.503 5.959) 7.568 4.031 ( 4.888 -0.148 4.236) 6.469 4.135 ( -1.366 -0.347 1.138) 1.812 4.217 ( 0.128 -5.241 -0.771) 5.299 4.264 ( -1.318 -4.186 2.854) 5.235 4.374 ( 1.768 1.287 0.776) 2.321 4.436 ( 0.119 -2.276 0.097) 2.281 4.500 ( 2.132 1.092 2.075) 3.170 4.512 ( 3.623 0.387 6.434) 7.394 4.580 ( 2.235 -1.336 6.074) 6.609 4.630 ( 6.028 -4.052 0.554) 7.284 4.679 ( -0.055 -1.977 4.584) 4.992 4.691 ( 5.537 -1.841 5.610) 8.094 4.838 ( 2.428 6.205 -0.390) 6.674 4.925 ( 1.042 -2.315 0.706) 2.635 4.961 ( -1.083 0.624 6.799) 6.913 5.030 ( 2.786 -0.899 1.187) 3.159 5.132 ( -3.064 1.337 7.223) 7.959 5.154 ( -1.677 0.142 3.682) 4.048 5.247 ( -3.080 3.322 1.334) 4.722 5.277 ( 0.694 1.247 -2.516) 2.893 5.338 ( -4.346 2.538 -2.092) 5.450 5.393 ( 1.134 -1.051 1.221) 1.970 5.441 ( 2.479 6.205 0.829) 6.733 5.487 ( -0.968 2.784 -1.315) 3.227 5.569 ( -0.320 -4.052 2.057) 4.555 5.615 ( 6.084 -5.155 -2.402) 8.328 5.671 ( -0.729 -4.594 2.987) 5.528 5.716 ( 0.343 -5.993 2.356) 6.448 5.781 ( -1.661 2.404 -1.624) 3.343 5.810 ( 1.496 1.181 -3.037) 3.586 5.940 ( -2.037 -1.352 -0.049) 2.445 5.983 ( -1.637 -1.318 -3.224) 3.848 6.028 ( -1.667 8.791 -2.483) 9.286 6.095 ( 1.965 2.207 -4.622) 5.486 6.176 ( -0.329 5.606 -4.075) 6.938 6.307 ( -5.737 -4.228 -8.003) 10.716 6.448 ( 2.036 7.019 -0.518) 7.326 6.486 ( 3.082 4.082 -4.818) 7.026 6.535 ( 5.285 -0.586 -6.643) 8.509 6.588 ( 0.208 -3.097 0.765) 3.196 6.630 ( -0.458 2.331 7.515) 7.881 6.671 ( -1.565 3.096 -2.275) 4.149 6.757 ( -2.253 1.356 5.877) 6.438 6.841 ( -1.875 -2.902 -3.807) 5.141 6.906 ( 1.497 -6.327 3.269) 7.277 6.934 ( 0.641 -1.767 -4.731) 5.091 6.974 ( 2.251 3.373 -4.951) 6.400 7.050 ( -3.005 2.535 -6.230) 7.367 7.089 ( 0.886 1.298 -1.309) 2.045 7.206 ( -1.301 1.297 4.438) 4.803 7.245 ( -1.025 -5.471 -0.775) 5.620 7.287 ( 0.158 -7.544 1.885) 7.777 7.433 ( -3.341 1.429 -2.062) 4.178 7.482 ( 2.059 -1.382 1.820) 3.076 7.514 ( 0.050 0.219 -0.672) 0.708 7.558 ( 3.382 2.218 3.556) 5.385 7.641 ( -1.206 0.530 4.028) 4.238 7.729 ( 3.805 -5.263 2.312) 6.894 7.862 ( -10.126 5.445 0.109) 11.498 7.895 ( -6.281 4.697 -0.258) 7.848 8.031 ( -2.481 1.489 1.202) 3.133 8.124 ( -3.915 -2.044 -0.515) 4.447 8.170 ( -2.786 2.916 3.757) 5.512 8.188 ( -5.020 1.480 3.741) 6.434 8.431 ( 2.328 2.305 5.711) 6.584 8.525 ( 2.357 -6.902 3.068) 7.912 8.801 ( 4.271 2.610 -1.954) 5.374 8.855 ( 8.442 -0.498 -3.541) 9.168 8.925 ( 3.700 3.794 -3.624) 6.420 8.968 ( 2.362 0.185 -0.676) 2.464 9.049 ( 0.006 0.886 5.126) 5.202 9.140 ( -1.871 -2.694 1.447) 3.585 9.277 ( -0.395 2.144 1.048) 2.419 9.428 ( 0.956 -7.388 -4.555) 8.732 9.434 ( -3.240 5.642 -1.916) 6.782 9.550 ( -4.465 -3.855 -1.564) 6.102 9.663 ( 2.786 2.492 4.244) 5.655 9.688 ( 1.685 0.512 5.598) 5.869 9.758 ( -4.991 0.934 -2.116) 5.501 9.815 ( 1.197 -3.619 3.814) 5.392 9.889 ( -6.274 1.700 3.104) 7.203 9.933 ( -1.710 0.828 2.406) 3.066 10.075 ( 1.237 2.280 4.796) 5.453 10.222 ( -0.046 -5.026 -2.164) 5.472 10.534 ( 3.588 0.362 -3.262) 4.862 10.560 ( 4.821 -1.525 -2.923) 5.840 10.678 ( 7.116 6.516 0.941) 9.694 10.810 ( 3.135 4.320 -4.590) 7.040 10.844 ( 4.798 -2.691 -1.423) 5.683 10.990 ( -0.948 5.420 -0.140) 5.504 11.054 ( 5.867 -7.578 -8.201) 12.614 11.219 ( 6.813 -12.535 -4.379) 14.923 11.299 ( -2.981 2.588 2.750) 4.811 11.379 ( -1.288 -5.753 0.819) 5.952 11.677 ( 3.621 7.792 -2.621) 8.983 11.796 ( 1.165 -3.421 -1.946) 4.105 11.855 ( 0.495 1.908 1.946) 2.770 11.894 ( 1.833 -1.280 0.400) 2.271 12.038 ( -0.723 1.140 3.237) 3.507 12.067 ( 1.228 -1.418 5.886) 6.178 12.159 ( -3.764 6.320 -1.912) 7.600 12.212 ( -0.650 0.995 -5.829) 5.949 12.296 ( 5.052 4.583 -7.295) 9.987 12.338 ( -1.500 -2.329 -5.661) 6.302 12.431 ( 1.274 -5.608 -0.260) 5.757 12.455 ( 3.375 -5.725 -7.808) 10.253 12.666 ( 0.965 2.481 -0.792) 2.777 12.690 ( 0.190 0.579 -1.232) 1.375 12.909 ( -0.912 5.483 7.174) 9.075 13.017 ( -13.746 1.898 5.592) 14.961 13.038 ( 1.008 -6.236 5.153) 8.152 13.064 ( -12.169 -1.901 0.313) 12.320 13.271 ( -10.350 8.886 -4.224) 14.281 13.374 ( -5.576 0.663 -7.938) 9.724 13.728 ( 5.757 1.532 -4.448) 7.435 13.762 ( 4.897 -1.278 -5.617) 7.561 13.891 ( -0.627 0.613 -2.837) 2.970 13.904 ( -0.214 -0.524 -3.416) 3.462 13.990 ( 4.636 3.790 1.218) 6.110 14.121 ( 0.444 -8.404 2.138) 8.683 14.462 ( -5.529 1.967 2.325) 6.313 14.480 ( -4.774 -0.117 3.388) 5.855 14.664 ( -3.548 1.422 -1.811) 4.230 14.696 ( -5.409 -0.522 -2.861) 6.142 14.932 ( 5.448 0.540 -1.196) 5.604 14.962 ( 4.158 -1.521 -1.394) 4.642 15.123 ( 0.829 0.178 -4.116) 4.203 15.128 ( 0.948 -0.235 -4.323) 4.432 15.308 ( -2.941 1.402 -4.469) 5.531 15.350 ( -4.452 -2.436 -3.261) 6.033 16.050 ( 0.785 0.697 -0.853) 1.353 16.062 ( 0.206 -0.387 -0.621) 0.760 16.112 ( 0.728 1.429 0.925) 1.851 16.138 ( 1.263 0.134 1.248) 1.781 16.173 ( 2.874 -0.585 1.027) 3.108 16.187 ( 3.165 -0.869 1.064) 3.450 16.229 ( 3.450 0.032 -0.084) 3.451 16.233 ( 4.385 -0.249 -0.266) 4.400 16.366 ( -1.858 0.529 6.446) 6.729 16.387 ( -5.469 -1.242 6.779) 8.798 16.550 ( -2.082 2.288 -9.671) 10.154 16.599 ( -2.932 -2.159 -7.407) 8.253 16.768 ( 3.276 0.511 -1.317) 3.568 16.781 ( 3.313 -0.685 -1.870) 3.866 16.935 ( -0.778 -0.380 0.497) 0.998 16.952 ( -0.017 -2.066 -0.778) 2.208 17.188 ( -9.729 1.277 5.412) 11.206 17.227 ( -11.227 -2.489 6.321) 13.123 17.581 ( 2.792 -0.096 6.267) 6.862 17.634 ( 3.285 -4.028 3.018) 6.010 17.856 ( -4.229 3.523 3.830) 6.705 17.927 ( -0.580 -3.236 1.846) 3.770 18.134 ( -9.682 1.884 -0.165) 9.865 18.186 ( -5.766 -2.779 0.067) 6.401 18.201 ( -3.564 2.371 -5.120) 6.674 18.234 ( -1.151 -0.831 -4.962) 5.161 18.298 ( -2.137 -0.093 -3.454) 4.063 18.301 ( -5.888 -0.266 -4.248) 7.265 18.482 ( -2.871 1.565 -3.524) 4.807 18.501 ( -2.140 -0.349 -1.953) 2.918 18.639 ( 2.762 3.477 -4.030) 5.997 18.651 ( 4.444 1.456 -1.652) 4.960 18.721 ( 7.689 1.841 -0.089) 7.906 18.778 ( 4.097 -2.450 -2.583) 5.428 18.911 ( 4.242 1.472 -2.115) 4.964 18.940 ( 4.439 -0.868 -2.915) 5.381 26.118 ( -0.534 3.587 -0.112) 3.629 26.171 ( -0.901 -1.648 -0.180) 1.887 26.250 ( 1.086 0.174 -0.863) 1.398 26.254 ( 0.701 -0.042 -1.105) 1.309 27.412 ( 2.187 0.398 0.497) 2.278 27.422 ( 2.888 -0.509 0.454) 2.968 27.543 ( -2.153 5.276 -2.152) 6.091 27.622 ( -2.207 -2.321 -1.839) 3.693 28.021 ( 0.257 1.041 -0.841) 1.363 28.045 ( -0.441 -1.045 -1.628) 1.984 28.138 ( 0.693 0.749 -0.631) 1.200 28.153 ( -0.037 -0.668 -0.384) 0.771 28.640 ( 6.374 0.764 0.023) 6.420 28.658 ( 5.899 -0.763 -0.065) 5.948 28.811 ( 6.956 1.346 -3.138) 7.749 28.839 ( 5.639 -1.227 -4.073) 7.063 28.918 ( 0.633 0.818 0.285) 1.073 28.937 ( 1.309 -1.032 1.202) 2.055 29.038 ( 1.671 4.643 5.284) 7.230 29.177 ( -0.281 -8.614 6.206) 10.620 29.346 ( -1.462 1.705 3.934) 4.531 29.402 ( 1.262 -3.843 3.363) 5.260 29.832 ( -12.696 8.565 -0.348) 15.319 29.943 ( -15.340 -2.960 -0.663) 15.637 30.665 ( 14.463 3.033 -4.606) 15.479 30.735 ( 15.898 -3.159 -11.495) 19.871 31.411 ( 3.041 3.778 1.146) 4.983 31.456 ( 1.973 2.914 1.249) 3.734 31.518 ( 4.326 -3.604 -0.483) 5.651 31.618 ( -2.529 -7.512 -1.376) 8.044 31.784 ( 6.058 3.099 -8.401) 10.811 31.835 ( 4.320 -2.158 -6.784) 8.328 31.971 ( 0.766 0.478 0.634) 1.103 31.994 ( 0.316 -2.047 2.543) 3.280 32.106 ( -0.041 7.449 1.600) 7.619 32.258 ( -2.505 -4.653 1.718) 5.556 32.658 ( 7.983 9.482 -5.696) 13.642 32.920 ( 1.730 -13.125 -3.374) 13.661 33.186 ( -3.033 0.909 -13.465) 13.833 33.216 ( -3.465 -1.703 -15.813) 16.277 33.503 ( 0.215 1.666 2.017) 2.625 33.542 ( -0.486 -1.870 2.103) 2.856 33.918 ( -3.099 2.324 13.100) 13.661 34.018 ( -5.232 -7.591 12.311) 15.380 34.070 ( 0.604 4.570 0.551) 4.643 34.190 ( 1.321 -6.160 -0.283) 6.307 34.856 ( -14.285 12.917 -4.784) 19.844 35.023 ( -9.968 -4.707 -7.929) 13.579 ======================= Grid point 22 (12/30) ======================= q-point: ( 0.40 0.33 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.824 ( 20.716 10.045 9.139) 24.771 2.043 ( 20.201 13.360 21.928) 32.671 2.068 ( 3.581 -9.547 5.051) 11.379 2.270 ( 4.932 -0.354 6.652) 8.288 2.336 ( 0.772 -10.369 9.487) 14.076 2.390 ( 9.846 -8.660 12.634) 18.209 2.461 ( -7.625 3.416 16.143) 18.177 2.653 ( -3.378 -11.475 14.587) 18.864 2.752 ( 4.664 2.323 0.860) 5.281 2.787 ( 5.243 -1.792 3.216) 6.406 2.843 ( -0.922 5.982 5.036) 7.873 2.857 ( 2.481 5.707 10.796) 12.461 2.936 ( -14.801 4.510 0.801) 15.494 2.997 ( -1.455 2.705 5.056) 5.916 3.107 ( -1.735 -3.349 6.575) 7.580 3.132 ( -1.222 -6.622 9.075) 11.301 3.282 ( -3.349 2.907 9.022) 10.054 3.295 ( -1.316 1.270 9.060) 9.243 3.405 ( 6.494 2.233 7.428) 10.116 3.500 ( 1.290 -0.296 5.139) 5.306 3.679 ( 2.599 -0.682 5.654) 6.260 3.696 ( 2.741 0.514 6.728) 7.284 3.776 ( 3.786 3.713 -1.558) 5.527 3.854 ( 1.650 1.837 2.548) 3.549 3.892 ( 3.645 -4.974 1.950) 6.467 3.968 ( -2.451 -2.691 1.428) 3.910 4.108 ( 2.384 -0.813 2.687) 3.683 4.143 ( 0.175 0.677 0.780) 1.048 4.225 ( 0.705 -3.502 2.308) 4.253 4.239 ( 1.141 -3.814 -0.025) 3.981 4.402 ( -0.396 2.881 0.708) 2.993 4.467 ( -0.421 -1.119 1.985) 2.317 4.493 ( -3.980 2.176 2.263) 5.069 4.522 ( -1.801 0.761 2.868) 3.471 4.614 ( 2.220 0.760 8.194) 8.524 4.639 ( 1.616 -1.798 7.324) 7.713 4.821 ( 6.516 1.979 4.330) 8.069 4.831 ( 6.317 -0.153 -0.201) 6.322 4.908 ( 3.658 4.959 3.435) 7.054 4.976 ( 2.391 0.775 4.196) 4.891 4.994 ( 1.545 -0.867 6.474) 6.712 5.048 ( 1.515 4.422 3.957) 6.124 5.079 ( -5.631 -4.873 2.907) 7.994 5.101 ( -0.511 -3.344 4.222) 5.410 5.163 ( -0.387 3.806 -0.778) 3.904 5.273 ( -3.797 2.258 -1.379) 4.628 5.310 ( 1.922 0.168 -3.142) 3.687 5.353 ( -3.463 -7.559 -2.044) 8.562 5.465 ( -1.085 4.716 2.677) 5.531 5.482 ( -1.743 -0.359 1.372) 2.247 5.553 ( 3.414 1.197 -0.847) 3.715 5.628 ( -2.429 -4.444 -3.711) 6.278 5.645 ( -2.211 -0.573 -1.935) 2.994 5.687 ( -3.360 -4.148 -1.859) 5.652 5.845 ( 2.237 -1.234 3.752) 4.539 5.861 ( -0.173 -2.783 0.416) 2.819 5.912 ( 4.503 0.814 -5.915) 7.478 5.937 ( 1.303 -1.931 -0.754) 2.448 6.011 ( -2.156 0.778 -3.126) 3.876 6.032 ( -6.360 -1.170 -5.399) 8.424 6.240 ( 4.935 6.641 -2.672) 8.694 6.281 ( 3.550 3.818 -3.244) 6.140 6.488 ( 0.474 6.964 0.038) 6.980 6.521 ( -2.332 4.705 -3.786) 6.473 6.581 ( -0.314 3.592 0.256) 3.615 6.614 ( -0.987 1.842 9.690) 9.912 6.650 ( 3.409 -1.151 1.440) 3.875 6.680 ( 3.768 -3.964 3.234) 6.354 6.728 ( -1.419 -2.674 -0.961) 3.176 6.762 ( -1.059 -1.343 -4.015) 4.364 6.844 ( -4.444 -1.094 -6.608) 8.038 6.912 ( -5.618 -3.224 -9.275) 11.313 7.005 ( 2.610 4.347 -1.028) 5.174 7.056 ( 0.020 -4.846 -5.789) 7.549 7.114 ( 2.163 0.405 -1.828) 2.861 7.145 ( -2.095 -0.421 0.704) 2.250 7.281 ( 2.870 -4.927 4.427) 7.219 7.296 ( 3.812 -8.975 1.170) 9.821 7.398 ( -4.936 -0.284 4.093) 6.418 7.416 ( -3.983 -1.515 5.620) 7.053 7.540 ( 0.257 5.269 -1.861) 5.594 7.570 ( -2.753 5.669 -4.425) 7.701 7.676 ( 0.616 0.525 3.591) 3.681 7.715 ( -0.264 0.644 4.181) 4.238 7.786 ( 0.072 0.628 3.375) 3.433 7.833 ( 3.266 -3.173 3.751) 5.900 7.985 ( -3.865 3.417 4.760) 7.020 8.021 ( -1.495 1.204 3.499) 3.991 8.088 ( -2.749 2.201 5.715) 6.713 8.140 ( -2.458 -2.793 5.990) 7.051 8.389 ( -3.542 5.426 2.912) 7.104 8.434 ( -5.786 0.509 5.102) 7.731 8.907 ( 4.407 -0.501 -1.894) 4.823 8.943 ( 1.043 -2.139 -2.646) 3.559 9.023 ( 5.503 1.931 0.164) 5.835 9.072 ( 1.064 0.006 -3.568) 3.723 9.146 ( 9.620 1.556 -6.306) 11.608 9.197 ( 6.774 -3.612 -1.199) 7.770 9.294 ( -0.183 2.043 1.003) 2.283 9.331 ( -3.088 0.138 0.163) 3.095 9.407 ( -4.051 4.062 -6.100) 8.374 9.517 ( -5.548 -4.186 -2.014) 7.236 9.611 ( -1.692 0.438 -1.899) 2.581 9.627 ( -5.904 -0.762 -0.789) 6.005 9.731 ( 0.843 0.688 1.910) 2.198 9.748 ( 0.723 -0.854 1.479) 1.855 9.936 ( 2.835 0.488 5.386) 6.106 9.946 ( 5.293 -0.743 7.338) 9.078 10.069 ( -2.100 0.481 0.131) 2.158 10.152 ( -6.828 -3.819 0.067) 7.824 10.658 ( 6.960 1.679 -4.192) 8.296 10.700 ( 6.470 -1.314 -3.696) 7.566 10.760 ( 4.063 3.548 0.480) 5.416 10.834 ( -0.324 1.630 -1.718) 2.391 10.897 ( -1.007 1.175 -1.219) 1.970 10.956 ( -6.730 -0.601 -1.832) 7.001 11.035 ( -0.031 7.978 2.022) 8.230 11.103 ( -7.297 2.679 3.051) 8.350 11.401 ( 3.916 -9.847 -1.328) 10.680 11.441 ( 2.913 -14.295 -3.790) 15.073 11.768 ( 3.643 3.522 -4.127) 6.535 11.808 ( -0.542 -0.516 -0.481) 0.890 11.882 ( 2.209 1.932 -0.694) 3.015 11.915 ( -0.317 -1.190 -4.216) 4.392 12.040 ( 0.763 3.349 1.837) 3.895 12.065 ( -1.523 5.197 1.165) 5.539 12.146 ( 1.941 -4.669 -1.438) 5.257 12.179 ( -1.274 -3.470 -1.137) 3.867 12.313 ( 2.767 2.023 -7.523) 8.267 12.378 ( -0.307 -4.661 -5.310) 7.072 12.474 ( 0.149 -0.374 0.405) 0.571 12.500 ( -0.442 -2.967 -2.306) 3.784 12.686 ( 0.646 2.559 2.976) 3.978 12.695 ( 0.413 1.580 2.399) 2.903 12.780 ( -4.945 1.096 6.456) 8.206 12.821 ( -7.483 -2.145 5.731) 9.667 12.899 ( 1.666 9.830 1.447) 10.075 13.017 ( -7.718 6.380 -2.474) 10.314 13.152 ( 3.325 -3.173 -4.103) 6.162 13.257 ( -5.553 -5.170 -6.474) 9.974 13.821 ( 2.888 0.884 -3.086) 4.318 13.844 ( 1.586 -1.114 -3.293) 3.821 13.878 ( 0.175 0.742 -3.018) 3.113 13.896 ( -0.622 -0.790 -3.253) 3.405 14.127 ( 7.935 1.095 2.310) 8.336 14.172 ( 4.634 -3.180 3.974) 6.883 14.315 ( -7.789 1.293 3.355) 8.579 14.334 ( -8.253 -0.644 3.296) 8.910 14.601 ( -1.720 1.031 -0.384) 2.041 14.609 ( -2.475 0.523 -0.372) 2.557 15.011 ( 2.018 -0.553 -1.138) 2.382 15.021 ( 1.195 -1.151 -1.192) 2.043 15.161 ( 2.834 0.316 -4.810) 5.591 15.169 ( 3.009 -0.443 -4.731) 5.624 15.234 ( -3.863 0.641 -4.969) 6.326 15.250 ( -4.600 -0.833 -4.389) 6.412 16.063 ( 0.362 0.030 -0.754) 0.837 16.067 ( -0.000 -0.432 -0.525) 0.679 16.130 ( 1.242 1.693 -0.491) 2.156 16.149 ( -0.230 0.550 -0.483) 0.767 16.218 ( 1.995 0.758 1.449) 2.579 16.247 ( 2.266 -1.014 2.390) 3.446 16.275 ( -3.144 0.162 3.926) 5.032 16.292 ( -1.860 -0.787 3.066) 3.672 16.368 ( 7.095 0.036 -1.718) 7.301 16.375 ( 5.827 -0.349 -1.239) 5.967 16.490 ( -4.195 1.329 -5.818) 7.295 16.521 ( -5.785 -1.502 -5.539) 8.149 16.833 ( 2.442 1.260 -1.895) 3.338 16.863 ( 2.526 -1.424 -1.172) 3.127 16.917 ( -1.820 1.465 0.225) 2.347 16.942 ( 1.675 -0.877 0.622) 1.990 17.016 ( -6.896 -0.010 -0.139) 6.898 17.022 ( -4.786 -0.614 -0.298) 4.834 17.650 ( 3.450 -0.814 3.790) 5.190 17.673 ( 1.113 -2.640 2.781) 3.992 17.814 ( -0.669 5.472 2.963) 6.259 17.894 ( -7.846 -0.103 1.076) 7.920 17.982 ( 2.170 -1.194 0.759) 2.591 18.047 ( -3.554 -4.958 1.635) 6.315 18.122 ( -3.111 1.422 -2.278) 4.110 18.149 ( -4.836 -0.891 -2.817) 5.667 18.315 ( 3.694 0.692 -5.301) 6.498 18.335 ( 3.154 -1.303 -4.182) 5.398 18.414 ( -3.305 1.184 -3.584) 5.017 18.434 ( -3.791 -0.793 -2.341) 4.525 18.672 ( 1.278 2.920 -3.507) 4.739 18.690 ( -0.140 1.091 -3.409) 3.582 18.877 ( 5.956 0.951 -0.398) 6.044 18.905 ( 4.931 -1.635 -1.149) 5.321 18.970 ( 1.101 1.571 -1.637) 2.522 18.996 ( 0.171 -0.928 -2.233) 2.424 26.130 ( 1.194 1.596 0.195) 2.003 26.154 ( -0.929 -0.570 0.030) 1.090 26.255 ( 0.063 0.076 -0.297) 0.313 26.259 ( -0.224 -0.297 -0.558) 0.670 27.461 ( 2.213 1.335 0.341) 2.607 27.486 ( 1.704 -0.237 0.162) 1.728 27.513 ( 0.236 2.032 -0.268) 2.063 27.568 ( -2.949 -2.246 -0.537) 3.746 28.031 ( 0.503 0.324 -0.405) 0.722 28.039 ( -0.259 -0.414 -0.690) 0.845 28.151 ( 0.419 0.080 -0.883) 0.981 28.154 ( 0.043 -0.179 -0.770) 0.792 28.806 ( 7.921 0.358 -1.020) 7.994 28.814 ( 7.507 -0.440 -0.909) 7.575 28.880 ( 0.407 0.292 -2.013) 2.075 28.888 ( -0.160 -0.523 -2.159) 2.227 28.939 ( 1.587 1.528 0.983) 2.412 28.971 ( 1.812 -1.411 1.982) 3.034 29.038 ( -3.463 2.682 3.377) 5.531 29.099 ( -6.789 -2.866 4.126) 8.445 29.401 ( 8.255 3.451 2.267) 9.230 29.486 ( 6.007 -4.364 2.265) 7.763 29.617 ( -9.353 2.656 1.651) 9.862 29.663 ( -10.923 -1.659 1.127) 11.106 30.897 ( 7.457 2.749 -4.575) 9.170 30.942 ( 4.022 -1.038 -7.452) 8.531 31.386 ( -0.134 1.952 3.160) 3.716 31.456 ( -5.513 -3.703 0.253) 6.646 31.582 ( 4.907 -0.025 -0.489) 4.931 31.630 ( 0.331 -4.910 -0.333) 4.932 31.900 ( 3.616 1.847 -6.731) 7.861 31.916 ( 2.012 0.186 -5.833) 6.173 31.993 ( 1.252 0.503 0.447) 1.421 32.007 ( 0.523 -0.643 1.299) 1.541 32.115 ( 1.570 5.830 1.260) 6.168 32.184 ( -4.219 1.043 1.764) 4.691 32.864 ( 9.993 0.485 -12.430) 15.956 32.972 ( 2.030 -8.666 -6.230) 10.865 33.093 ( -4.724 0.498 -17.693) 18.319 33.123 ( -4.887 -2.337 -14.361) 15.348 33.513 ( 0.742 0.486 1.774) 1.983 33.529 ( -0.693 -0.999 1.860) 2.222 33.865 ( -1.014 0.124 13.960) 13.998 33.900 ( -4.406 -3.826 15.058) 16.150 34.117 ( 3.263 6.160 -1.432) 7.117 34.184 ( -2.266 1.099 -1.236) 2.806 34.690 ( -0.532 5.624 -4.943) 7.506 34.800 ( -9.552 -4.193 -6.231) 12.151 ======================= Grid point 30 (13/30) ======================= q-point: ( 0.00 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 30 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.262 ( 0.000 0.000 32.586) 32.586 1.376 ( 0.000 0.000 35.305) 35.305 2.269 ( 0.000 0.000 18.204) 18.204 2.288 ( 0.000 0.000 -3.417) 3.417 2.313 ( 0.000 0.000 2.903) 2.903 2.414 ( 0.000 0.000 4.127) 4.127 2.657 ( 0.000 0.000 -0.145) 0.145 2.789 ( 0.000 0.000 36.195) 36.195 2.790 ( 0.000 0.000 18.618) 18.618 2.900 ( 0.000 0.000 -3.669) 3.669 2.973 ( 0.000 0.000 6.554) 6.554 3.011 ( 0.000 0.000 20.106) 20.106 3.053 ( 0.000 0.000 21.385) 21.385 3.129 ( 0.000 0.000 19.790) 19.790 3.160 ( 0.000 0.000 -0.035) 0.035 3.213 ( 0.000 0.000 -1.105) 1.105 3.524 ( 0.000 0.000 5.643) 5.643 3.646 ( 0.000 0.000 12.254) 12.254 3.704 ( 0.000 0.000 1.769) 1.769 3.706 ( 0.000 0.000 -1.205) 1.205 3.726 ( 0.000 0.000 1.723) 1.723 3.739 ( 0.000 0.000 5.970) 5.970 3.924 ( 0.000 0.000 11.500) 11.500 3.941 ( 0.000 0.000 2.059) 2.059 3.999 ( 0.000 0.000 0.770) 0.770 4.052 ( 0.000 0.000 5.569) 5.569 4.175 ( 0.000 0.000 -5.916) 5.916 4.198 ( 0.000 0.000 3.086) 3.086 4.213 ( 0.000 0.000 -7.280) 7.280 4.229 ( 0.000 0.000 6.408) 6.408 4.401 ( 0.000 0.000 -3.037) 3.037 4.438 ( 0.000 0.000 -9.317) 9.317 4.465 ( 0.000 0.000 -0.255) 0.255 4.541 ( 0.000 0.000 0.636) 0.636 4.624 ( 0.000 0.000 11.589) 11.589 4.640 ( 0.000 0.000 -0.694) 0.694 4.662 ( 0.000 0.000 11.991) 11.991 4.868 ( 0.000 0.000 16.076) 16.076 4.873 ( 0.000 0.000 0.203) 0.203 5.008 ( 0.000 0.000 -9.693) 9.693 5.058 ( 0.000 0.000 -2.408) 2.408 5.130 ( 0.000 0.000 3.291) 3.291 5.177 ( 0.000 0.000 -2.753) 2.753 5.241 ( 0.000 0.000 7.666) 7.666 5.273 ( 0.000 0.000 1.871) 1.871 5.301 ( 0.000 0.000 9.557) 9.557 5.424 ( 0.000 0.000 3.132) 3.132 5.456 ( 0.000 0.000 7.858) 7.858 5.490 ( 0.000 0.000 -1.261) 1.261 5.497 ( 0.000 0.000 -1.981) 1.981 5.529 ( 0.000 0.000 2.221) 2.221 5.536 ( 0.000 0.000 -3.906) 3.906 5.628 ( 0.000 0.000 -5.904) 5.904 5.703 ( 0.000 0.000 -6.300) 6.300 5.766 ( 0.000 0.000 -4.232) 4.232 5.790 ( 0.000 0.000 5.694) 5.694 5.874 ( 0.000 0.000 2.452) 2.452 5.991 ( 0.000 0.000 -4.414) 4.414 6.023 ( 0.000 0.000 10.455) 10.455 6.035 ( 0.000 0.000 -14.046) 14.046 6.114 ( 0.000 0.000 -0.178) 0.178 6.287 ( 0.000 0.000 13.592) 13.592 6.353 ( 0.000 0.000 10.933) 10.933 6.414 ( 0.000 0.000 -8.152) 8.152 6.462 ( 0.000 0.000 -7.338) 7.338 6.481 ( 0.000 0.000 -6.159) 6.159 6.563 ( 0.000 0.000 -1.658) 1.658 6.564 ( 0.000 0.000 -9.175) 9.175 6.720 ( 0.000 0.000 -2.949) 2.949 6.764 ( 0.000 0.000 1.173) 1.173 6.857 ( 0.000 0.000 -2.884) 2.884 6.873 ( 0.000 0.000 -3.005) 3.005 6.955 ( 0.000 0.000 5.576) 5.576 7.130 ( 0.000 0.000 0.584) 0.584 7.148 ( 0.000 0.000 7.133) 7.133 7.211 ( 0.000 0.000 -9.112) 9.112 7.268 ( 0.000 0.000 9.804) 9.804 7.351 ( 0.000 0.000 13.153) 13.153 7.394 ( 0.000 0.000 -0.072) 0.072 7.450 ( 0.000 0.000 -2.713) 2.713 7.531 ( 0.000 0.000 -10.047) 10.047 7.662 ( 0.000 0.000 5.844) 5.844 7.737 ( 0.000 0.000 2.899) 2.899 7.766 ( 0.000 0.000 -6.944) 6.944 7.903 ( 0.000 0.000 9.517) 9.517 7.956 ( 0.000 0.000 2.845) 2.845 8.003 ( 0.000 0.000 2.903) 2.903 8.234 ( 0.000 0.000 -0.103) 0.103 8.297 ( 0.000 0.000 6.612) 6.612 8.375 ( 0.000 0.000 7.576) 7.576 8.403 ( 0.000 0.000 0.705) 0.705 8.500 ( 0.000 0.000 -13.426) 13.426 8.577 ( 0.000 0.000 12.080) 12.080 8.694 ( 0.000 0.000 7.864) 7.864 8.775 ( 0.000 0.000 -1.421) 1.421 8.982 ( 0.000 0.000 6.142) 6.142 9.265 ( 0.000 0.000 5.458) 5.458 9.367 ( 0.000 0.000 7.745) 7.745 9.384 ( 0.000 0.000 5.767) 5.767 9.472 ( 0.000 0.000 2.684) 2.684 9.505 ( 0.000 0.000 -4.413) 4.413 9.598 ( 0.000 0.000 0.079) 0.079 9.734 ( 0.000 0.000 -7.437) 7.437 9.736 ( 0.000 0.000 -1.112) 1.112 9.772 ( 0.000 0.000 12.468) 12.468 9.878 ( 0.000 0.000 -1.583) 1.583 10.041 ( 0.000 0.000 5.021) 5.021 10.056 ( 0.000 0.000 3.943) 3.943 10.138 ( 0.000 0.000 13.280) 13.280 10.181 ( 0.000 0.000 -4.998) 4.998 10.419 ( 0.000 0.000 0.637) 0.637 10.534 ( 0.000 0.000 1.577) 1.577 10.601 ( 0.000 0.000 3.204) 3.204 10.711 ( 0.000 0.000 0.800) 0.800 10.758 ( 0.000 0.000 -2.552) 2.552 10.919 ( 0.000 0.000 4.141) 4.141 10.956 ( 0.000 0.000 1.408) 1.408 11.177 ( 0.000 0.000 -4.176) 4.176 11.200 ( 0.000 0.000 -7.940) 7.940 11.267 ( 0.000 0.000 -9.385) 9.385 11.640 ( 0.000 0.000 -0.196) 0.196 11.784 ( 0.000 0.000 -6.099) 6.099 11.795 ( 0.000 0.000 -4.155) 4.155 11.834 ( 0.000 0.000 -3.273) 3.273 11.897 ( 0.000 0.000 -7.295) 7.295 12.036 ( 0.000 0.000 -9.971) 9.971 12.073 ( 0.000 0.000 -3.585) 3.585 12.210 ( 0.000 0.000 -1.943) 1.943 12.244 ( 0.000 0.000 10.744) 10.744 12.395 ( 0.000 0.000 -13.285) 13.285 12.419 ( 0.000 0.000 -5.936) 5.936 12.458 ( 0.000 0.000 11.485) 11.485 12.467 ( 0.000 0.000 -4.533) 4.533 12.630 ( 0.000 0.000 3.603) 3.603 13.041 ( 0.000 0.000 10.758) 10.758 13.159 ( 0.000 0.000 1.381) 1.381 13.249 ( 0.000 0.000 2.113) 2.113 13.267 ( 0.000 0.000 -3.263) 3.263 13.328 ( 0.000 0.000 6.636) 6.636 13.340 ( 0.000 0.000 2.193) 2.193 13.514 ( 0.000 0.000 -5.066) 5.066 13.605 ( 0.000 0.000 -6.332) 6.332 13.806 ( 0.000 0.000 -6.619) 6.619 13.817 ( 0.000 0.000 -3.176) 3.176 13.842 ( 0.000 0.000 -3.657) 3.657 14.102 ( 0.000 0.000 -9.962) 9.962 14.386 ( 0.000 0.000 -5.960) 5.960 14.505 ( 0.000 0.000 -4.702) 4.702 14.722 ( 0.000 0.000 -0.783) 0.783 14.725 ( 0.000 0.000 -4.732) 4.732 14.820 ( 0.000 0.000 -0.456) 0.456 14.861 ( 0.000 0.000 -3.006) 3.006 15.054 ( 0.000 0.000 -1.746) 1.746 15.055 ( 0.000 0.000 -1.814) 1.814 15.209 ( 0.000 0.000 -5.473) 5.473 15.315 ( 0.000 0.000 -7.226) 7.226 16.002 ( 0.000 0.000 -1.670) 1.670 16.036 ( 0.000 0.000 -1.458) 1.458 16.111 ( 0.000 0.000 1.612) 1.612 16.181 ( 0.000 0.000 1.493) 1.493 16.185 ( 0.000 0.000 1.993) 1.993 16.200 ( 0.000 0.000 3.854) 3.854 16.213 ( 0.000 0.000 -0.054) 0.054 16.238 ( 0.000 0.000 1.921) 1.921 16.330 ( 0.000 0.000 -6.613) 6.613 16.421 ( 0.000 0.000 -3.747) 3.747 16.524 ( 0.000 0.000 5.805) 5.805 16.731 ( 0.000 0.000 -2.665) 2.665 16.739 ( 0.000 0.000 3.530) 3.530 16.753 ( 0.000 0.000 4.868) 4.868 16.910 ( 0.000 0.000 0.851) 0.851 16.978 ( 0.000 0.000 -0.802) 0.802 17.458 ( 0.000 0.000 2.871) 2.871 17.471 ( 0.000 0.000 7.862) 7.862 17.588 ( 0.000 0.000 0.081) 0.081 17.758 ( 0.000 0.000 -5.698) 5.698 17.867 ( 0.000 0.000 -6.339) 6.339 17.940 ( 0.000 0.000 -12.001) 12.001 18.147 ( 0.000 0.000 5.642) 5.642 18.150 ( 0.000 0.000 -5.523) 5.523 18.173 ( 0.000 0.000 -4.842) 4.842 18.197 ( 0.000 0.000 -0.969) 0.969 18.338 ( 0.000 0.000 -7.306) 7.306 18.339 ( 0.000 0.000 -8.576) 8.576 18.411 ( 0.000 0.000 3.201) 3.201 18.462 ( 0.000 0.000 0.269) 0.269 18.482 ( 0.000 0.000 -1.516) 1.516 18.563 ( 0.000 0.000 -0.198) 0.198 18.613 ( 0.000 0.000 1.674) 1.674 18.655 ( 0.000 0.000 -4.515) 4.515 18.795 ( 0.000 0.000 -2.843) 2.843 18.802 ( 0.000 0.000 -3.816) 3.816 26.064 ( 0.000 0.000 1.277) 1.277 26.176 ( 0.000 0.000 -0.792) 0.792 26.218 ( 0.000 0.000 0.753) 0.753 26.252 ( 0.000 0.000 0.021) 0.021 27.399 ( 0.000 0.000 0.907) 0.907 27.408 ( 0.000 0.000 1.216) 1.216 27.456 ( 0.000 0.000 -0.415) 0.415 27.613 ( 0.000 0.000 -2.946) 2.946 27.988 ( 0.000 0.000 -0.501) 0.501 28.011 ( 0.000 0.000 -2.361) 2.361 28.121 ( 0.000 0.000 0.873) 0.873 28.173 ( 0.000 0.000 0.270) 0.270 28.569 ( 0.000 0.000 0.739) 0.739 28.605 ( 0.000 0.000 0.128) 0.128 28.667 ( 0.000 0.000 -0.938) 0.938 28.702 ( 0.000 0.000 -1.806) 1.806 28.904 ( 0.000 0.000 -0.019) 0.019 28.962 ( 0.000 0.000 0.588) 0.588 29.052 ( 0.000 0.000 3.320) 3.320 29.337 ( 0.000 0.000 -0.670) 0.670 29.510 ( 0.000 0.000 5.453) 5.453 29.600 ( 0.000 0.000 1.241) 1.241 29.705 ( 0.000 0.000 2.293) 2.293 30.168 ( 0.000 0.000 -7.758) 7.758 30.336 ( 0.000 0.000 -0.008) 0.008 30.358 ( 0.000 0.000 -0.705) 0.705 31.373 ( 0.000 0.000 3.583) 3.583 31.446 ( 0.000 0.000 2.084) 2.084 31.576 ( 0.000 0.000 9.465) 9.465 31.616 ( 0.000 0.000 -2.916) 2.916 31.628 ( 0.000 0.000 -0.893) 0.893 31.782 ( 0.000 0.000 -4.016) 4.016 31.960 ( 0.000 0.000 -0.095) 0.095 31.991 ( 0.000 0.000 -1.844) 1.844 32.167 ( 0.000 0.000 4.393) 4.393 32.237 ( 0.000 0.000 -9.243) 9.243 32.411 ( 0.000 0.000 3.740) 3.740 32.960 ( 0.000 0.000 -14.535) 14.535 32.978 ( 0.000 0.000 -11.518) 11.518 32.985 ( 0.000 0.000 -6.340) 6.340 33.532 ( 0.000 0.000 2.723) 2.723 33.602 ( 0.000 0.000 1.071) 1.071 33.965 ( 0.000 0.000 -1.164) 1.164 34.055 ( 0.000 0.000 -0.456) 0.456 34.157 ( 0.000 0.000 1.837) 1.837 34.412 ( 0.000 0.000 -1.417) 1.417 34.788 ( 0.000 0.000 -12.935) 12.935 34.918 ( 0.000 0.000 -11.843) 11.843 ======================= Grid point 31 (14/30) ======================= q-point: ( 0.20 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 42 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.584 ( 17.757 0.000 28.364) 33.464 1.801 ( 38.203 0.000 22.889) 44.535 2.228 ( 1.392 0.000 0.740) 1.577 2.295 ( 0.117 0.000 5.668) 5.669 2.473 ( 7.375 0.000 -1.110) 7.458 2.490 ( 8.170 0.000 13.276) 15.589 2.691 ( 3.786 0.000 0.708) 3.852 2.822 ( 1.217 0.000 13.109) 13.166 2.880 ( -2.709 0.000 7.621) 8.088 2.889 ( 6.143 0.000 15.143) 16.342 3.023 ( 2.749 0.000 23.655) 23.814 3.027 ( 0.307 0.000 19.272) 19.274 3.083 ( 5.626 0.000 17.105) 18.006 3.115 ( -0.467 0.000 0.208) 0.511 3.251 ( 6.226 0.000 16.767) 17.885 3.269 ( 4.954 0.000 1.952) 5.324 3.501 ( -2.153 0.000 3.472) 4.086 3.606 ( -2.174 0.000 7.590) 7.895 3.619 ( -5.063 0.000 11.085) 12.187 3.700 ( -3.088 0.000 3.220) 4.462 3.721 ( -0.583 0.000 1.196) 1.331 3.756 ( 2.088 0.000 3.781) 4.319 3.869 ( -5.055 0.000 3.681) 6.253 3.921 ( -4.671 0.000 7.566) 8.891 3.955 ( 0.332 0.000 3.731) 3.746 4.059 ( -3.302 0.000 -0.900) 3.422 4.069 ( 0.158 0.000 4.407) 4.409 4.101 ( 1.430 0.000 -1.891) 2.370 4.310 ( 3.694 0.000 -0.170) 3.698 4.345 ( 1.720 0.000 1.525) 2.299 4.381 ( -5.915 0.000 4.689) 7.548 4.450 ( 0.806 0.000 -1.707) 1.888 4.506 ( 2.466 0.000 -7.561) 7.953 4.561 ( 7.619 0.000 -1.865) 7.844 4.598 ( 5.261 0.000 -2.435) 5.798 4.708 ( 3.880 0.000 10.274) 10.982 4.833 ( -5.018 0.000 -2.187) 5.474 4.836 ( 0.365 0.000 11.189) 11.195 4.888 ( 9.584 0.000 9.940) 13.807 5.007 ( -3.443 0.000 -2.745) 4.403 5.038 ( 2.990 0.000 -4.042) 5.027 5.099 ( -1.924 0.000 2.367) 3.051 5.130 ( -6.663 0.000 4.601) 8.097 5.190 ( 0.389 0.000 3.557) 3.578 5.309 ( 1.878 0.000 1.240) 2.250 5.332 ( -4.429 0.000 3.036) 5.369 5.353 ( 3.981 0.000 9.007) 9.847 5.447 ( -3.102 0.000 -1.190) 3.322 5.457 ( -7.125 0.000 0.282) 7.131 5.472 ( -1.527 0.000 -1.755) 2.326 5.489 ( 0.030 0.000 -0.380) 0.381 5.580 ( 6.369 0.000 -0.517) 6.390 5.657 ( 4.168 0.000 -7.570) 8.642 5.680 ( -6.796 0.000 -6.274) 9.250 5.713 ( -0.556 0.000 -3.467) 3.511 5.886 ( 2.171 0.000 -0.027) 2.171 5.904 ( 3.309 0.000 2.480) 4.135 5.972 ( -1.420 0.000 -1.982) 2.438 6.044 ( 3.105 0.000 4.948) 5.842 6.089 ( 3.040 0.000 -4.034) 5.051 6.188 ( 3.101 0.000 8.167) 8.736 6.296 ( -0.669 0.000 4.607) 4.655 6.311 ( -5.355 0.000 7.097) 8.891 6.404 ( -0.657 0.000 -3.948) 4.003 6.439 ( 2.139 0.000 -3.968) 4.507 6.490 ( 3.368 0.000 -2.914) 4.453 6.496 ( -6.851 0.000 -11.733) 13.586 6.585 ( 1.732 0.000 -0.399) 1.778 6.690 ( 1.257 0.000 -6.207) 6.333 6.794 ( 0.861 0.000 -0.378) 0.941 6.835 ( 0.666 0.000 -2.900) 2.976 6.924 ( 3.074 0.000 0.518) 3.118 6.989 ( 2.339 0.000 2.964) 3.776 7.176 ( 2.682 0.000 5.233) 5.880 7.190 ( 1.886 0.000 -0.211) 1.898 7.251 ( 7.428 0.000 0.740) 7.465 7.307 ( 1.815 0.000 9.930) 10.095 7.363 ( -9.607 0.000 -0.082) 9.607 7.409 ( 4.532 0.000 6.103) 7.602 7.494 ( 6.538 0.000 6.596) 9.287 7.561 ( -5.196 0.000 -3.039) 6.019 7.592 ( -3.173 0.000 1.803) 3.649 7.646 ( -0.296 0.000 -8.331) 8.336 7.838 ( 3.749 0.000 9.979) 10.660 7.874 ( -4.828 0.000 4.943) 6.910 7.909 ( 4.850 0.000 5.218) 7.124 7.980 ( -0.357 0.000 1.918) 1.951 8.131 ( -9.908 0.000 -2.474) 10.212 8.234 ( -4.980 0.000 6.841) 8.462 8.379 ( -0.177 0.000 8.619) 8.620 8.468 ( 1.030 0.000 2.910) 3.087 8.667 ( 1.741 0.000 4.022) 4.382 8.675 ( 7.183 0.000 -0.289) 7.189 8.774 ( 15.632 0.000 -6.073) 16.770 8.850 ( 5.344 0.000 1.264) 5.491 8.938 ( -4.904 0.000 2.323) 5.427 9.207 ( -7.234 0.000 8.380) 11.070 9.219 ( -5.129 0.000 4.117) 6.577 9.307 ( -6.243 0.000 2.690) 6.798 9.433 ( -6.315 0.000 -5.060) 8.092 9.500 ( 0.331 0.000 2.839) 2.858 9.578 ( 1.573 0.000 1.598) 2.242 9.609 ( -3.737 0.000 -4.195) 5.618 9.663 ( -8.252 0.000 -1.436) 8.376 9.767 ( -3.979 0.000 5.023) 6.409 9.858 ( 1.262 0.000 2.239) 2.571 9.929 ( -6.312 0.000 3.938) 7.439 9.971 ( -5.335 0.000 3.967) 6.648 10.184 ( 3.981 0.000 -2.772) 4.851 10.392 ( 7.702 0.000 8.464) 11.444 10.533 ( 5.860 0.000 1.734) 6.111 10.601 ( 5.402 0.000 0.318) 5.411 10.621 ( 2.824 0.000 3.566) 4.549 10.681 ( -2.009 0.000 0.656) 2.113 10.801 ( 2.314 0.000 -2.352) 3.299 10.968 ( -0.229 0.000 -8.163) 8.166 11.011 ( 2.608 0.000 -0.920) 2.765 11.161 ( -2.253 0.000 -5.809) 6.231 11.241 ( 8.755 0.000 -5.774) 10.487 11.314 ( 4.900 0.000 -8.120) 9.484 11.610 ( -1.839 0.000 -0.545) 1.918 11.768 ( 0.364 0.000 -6.052) 6.063 11.835 ( -0.056 0.000 -3.104) 3.105 11.862 ( -3.036 0.000 -8.650) 9.167 11.906 ( 6.626 0.000 -1.597) 6.815 12.014 ( -1.258 0.000 -4.830) 4.991 12.078 ( 0.396 0.000 -5.228) 5.243 12.160 ( -6.047 0.000 -8.337) 10.299 12.288 ( 2.787 0.000 7.499) 8.001 12.347 ( 5.435 0.000 6.343) 8.353 12.428 ( 0.132 0.000 -7.467) 7.469 12.488 ( 3.006 0.000 -2.591) 3.968 12.581 ( 5.202 0.000 0.456) 5.222 12.643 ( 1.711 0.000 4.498) 4.812 12.990 ( -4.229 0.000 8.101) 9.138 13.037 ( -10.010 0.000 1.591) 10.136 13.107 ( -11.671 0.000 -0.433) 11.679 13.134 ( -9.315 0.000 2.740) 9.710 13.251 ( -6.353 0.000 5.612) 8.476 13.304 ( -4.183 0.000 -0.540) 4.218 13.607 ( 6.616 0.000 -6.145) 9.029 13.660 ( 4.760 0.000 -6.597) 8.135 13.799 ( -0.329 0.000 -6.220) 6.229 13.827 ( -1.153 0.000 -4.459) 4.606 13.931 ( 8.773 0.000 -1.354) 8.877 14.168 ( 4.907 0.000 -6.334) 8.013 14.386 ( -0.739 0.000 -3.372) 3.452 14.491 ( -2.408 0.000 -3.544) 4.285 14.628 ( -5.269 0.000 -2.655) 5.900 14.662 ( -3.489 0.000 -0.501) 3.525 14.914 ( 5.862 0.000 -1.395) 6.025 14.935 ( 3.897 0.000 -2.784) 4.789 15.027 ( -1.261 0.000 -3.631) 3.844 15.054 ( -0.117 0.000 -2.582) 2.584 15.176 ( -2.946 0.000 -5.730) 6.443 15.256 ( -5.127 0.000 -7.313) 8.931 16.014 ( 0.983 0.000 -1.942) 2.177 16.049 ( 1.000 0.000 -1.480) 1.786 16.112 ( -0.573 0.000 0.300) 0.647 16.155 ( -1.418 0.000 0.541) 1.518 16.202 ( 0.733 0.000 1.346) 1.533 16.226 ( 3.036 0.000 0.089) 3.038 16.244 ( 1.154 0.000 1.000) 1.527 16.247 ( 2.611 0.000 2.560) 3.657 16.337 ( 1.050 0.000 -5.790) 5.884 16.409 ( -1.254 0.000 -2.932) 3.189 16.487 ( -3.058 0.000 4.650) 5.565 16.606 ( -8.985 0.000 1.713) 9.147 16.779 ( 3.165 0.000 3.875) 5.004 16.814 ( 4.767 0.000 5.260) 7.099 16.914 ( -0.641 0.000 -3.419) 3.479 16.936 ( -2.420 0.000 -1.461) 2.827 17.287 ( -13.873 0.000 5.868) 15.063 17.361 ( -11.099 0.000 4.369) 11.928 17.650 ( 4.327 0.000 -0.432) 4.349 17.726 ( -2.190 0.000 0.155) 2.196 17.824 ( -0.658 0.000 -6.038) 6.074 17.951 ( 0.292 0.000 -5.893) 5.900 18.067 ( -8.058 0.000 -4.596) 9.277 18.112 ( -0.465 0.000 0.198) 0.505 18.124 ( -4.655 0.000 -1.441) 4.873 18.199 ( -8.193 0.000 -5.943) 10.121 18.200 ( 2.117 0.000 -4.899) 5.337 18.314 ( -6.265 0.000 3.517) 7.185 18.319 ( -1.166 0.000 -5.442) 5.565 18.453 ( -1.930 0.000 -2.133) 2.877 18.524 ( 1.861 0.000 -2.603) 3.200 18.600 ( 1.757 0.000 -2.070) 2.715 18.727 ( 7.958 0.000 1.037) 8.025 18.743 ( 7.147 0.000 -2.339) 7.520 18.857 ( 4.505 0.000 -2.448) 5.127 18.878 ( 5.135 0.000 -3.514) 6.222 26.080 ( 1.408 0.000 1.067) 1.766 26.174 ( -0.462 0.000 -0.810) 0.933 26.237 ( 1.353 0.000 0.066) 1.354 26.253 ( 0.095 0.000 0.109) 0.144 27.423 ( 1.856 0.000 0.927) 2.075 27.441 ( 2.880 0.000 0.784) 2.985 27.463 ( 0.510 0.000 -0.132) 0.527 27.608 ( -0.722 0.000 -2.319) 2.429 28.004 ( 1.129 0.000 -0.350) 1.182 28.017 ( 0.470 0.000 -1.810) 1.870 28.123 ( 0.303 0.000 0.292) 0.421 28.160 ( -0.909 0.000 0.163) 0.924 28.639 ( 6.260 0.000 0.699) 6.299 28.668 ( 5.758 0.000 0.270) 5.765 28.750 ( 6.153 0.000 -1.886) 6.436 28.787 ( 5.624 0.000 -2.553) 6.177 28.912 ( 0.706 0.000 0.221) 0.740 28.990 ( 2.723 0.000 0.461) 2.762 29.047 ( -0.266 0.000 3.045) 3.056 29.289 ( -4.048 0.000 -0.531) 4.083 29.463 ( -3.904 0.000 6.355) 7.458 29.591 ( -0.021 0.000 2.634) 2.634 29.684 ( -2.084 0.000 2.193) 3.025 29.944 ( -13.015 0.000 -2.297) 13.216 30.530 ( 12.955 0.000 -7.290) 14.865 30.561 ( 12.514 0.000 -4.688) 13.363 31.439 ( 5.708 0.000 3.311) 6.598 31.495 ( 1.160 0.000 3.846) 4.017 31.557 ( -3.150 0.000 -0.646) 3.216 31.599 ( 5.221 0.000 3.335) 6.195 31.694 ( 3.257 0.000 -1.906) 3.773 31.790 ( 0.615 0.000 -4.127) 4.172 31.969 ( 0.826 0.000 -0.366) 0.904 31.985 ( -0.541 0.000 -1.929) 2.004 32.146 ( -1.669 0.000 4.059) 4.389 32.230 ( -1.200 0.000 -6.272) 6.386 32.433 ( 2.880 0.000 -1.051) 3.066 32.894 ( -5.735 0.000 -14.357) 15.460 32.961 ( -1.712 0.000 -12.063) 12.184 32.971 ( -1.361 0.000 -6.977) 7.109 33.530 ( -0.010 0.000 2.180) 2.180 33.592 ( -0.960 0.000 0.762) 1.225 33.977 ( 1.218 0.000 -0.795) 1.455 34.056 ( 0.146 0.000 1.943) 1.948 34.134 ( -1.953 0.000 1.217) 2.301 34.421 ( 1.342 0.000 -3.088) 3.367 34.562 ( -16.858 0.000 -3.300) 17.178 34.851 ( -6.995 0.000 -12.021) 13.908 ======================= Grid point 32 (15/30) ======================= q-point: ( 0.40 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 42 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.985 ( 17.196 0.000 15.929) 23.440 2.220 ( -5.197 0.000 5.544) 7.599 2.372 ( 11.852 0.000 3.278) 12.297 2.438 ( 14.652 0.000 22.565) 26.905 2.582 ( 4.144 0.000 -2.357) 4.768 2.622 ( 1.378 0.000 1.918) 2.362 2.760 ( -4.239 0.000 11.401) 12.163 2.819 ( -10.395 0.000 4.552) 11.348 2.821 ( 2.860 0.000 8.431) 8.903 2.847 ( -1.857 0.000 2.473) 3.092 3.052 ( 4.754 0.000 5.772) 7.477 3.056 ( 1.680 0.000 18.828) 18.902 3.116 ( 2.372 0.000 21.475) 21.606 3.254 ( -6.254 0.000 10.469) 12.195 3.310 ( 11.308 0.000 19.930) 22.914 3.444 ( -2.938 0.000 11.939) 12.295 3.451 ( 9.445 0.000 7.847) 12.280 3.571 ( 2.551 0.000 9.457) 9.795 3.592 ( -5.320 0.000 8.800) 10.283 3.669 ( 5.265 0.000 9.405) 10.778 3.731 ( -8.347 0.000 8.556) 11.953 3.761 ( 6.856 0.000 2.800) 7.405 3.764 ( -5.747 0.000 4.508) 7.304 3.855 ( 0.973 0.000 0.917) 1.337 3.960 ( 1.568 0.000 0.863) 1.789 4.004 ( -2.754 0.000 -2.533) 3.742 4.126 ( 3.796 0.000 4.232) 5.684 4.179 ( 2.652 0.000 -0.817) 2.775 4.304 ( -0.110 0.000 0.296) 0.316 4.353 ( 0.278 0.000 3.133) 3.146 4.364 ( 1.424 0.000 1.992) 2.449 4.438 ( -4.985 0.000 -3.588) 6.142 4.509 ( -2.311 0.000 -2.040) 3.082 4.514 ( -8.987 0.000 7.567) 11.749 4.738 ( 7.213 0.000 -3.541) 8.035 4.817 ( 3.139 0.000 3.143) 4.442 4.821 ( 2.804 0.000 1.014) 2.982 4.835 ( 0.910 0.000 2.813) 2.956 4.949 ( 1.522 0.000 -3.334) 3.665 5.012 ( -0.681 0.000 6.158) 6.195 5.088 ( 3.110 0.000 -3.436) 4.634 5.107 ( 4.335 0.000 6.382) 7.715 5.190 ( 5.609 0.000 4.977) 7.498 5.219 ( 5.677 0.000 -2.907) 6.378 5.265 ( -7.469 0.000 5.238) 9.123 5.318 ( 0.813 0.000 4.037) 4.118 5.328 ( -1.360 0.000 0.302) 1.393 5.370 ( -0.061 0.000 -2.911) 2.912 5.371 ( -4.071 0.000 1.158) 4.233 5.464 ( 2.327 0.000 6.104) 6.532 5.543 ( 1.077 0.000 -1.145) 1.572 5.544 ( -4.205 0.000 -5.065) 6.583 5.623 ( -7.069 0.000 -4.301) 8.275 5.679 ( -10.326 0.000 -3.256) 10.827 5.777 ( 9.716 0.000 -6.580) 11.734 5.826 ( 4.858 0.000 -10.029) 11.144 5.917 ( -1.611 0.000 -2.583) 3.044 5.950 ( -3.463 0.000 -3.419) 4.866 6.083 ( -4.495 0.000 10.752) 11.654 6.107 ( 1.917 0.000 9.621) 9.810 6.179 ( -3.499 0.000 0.710) 3.570 6.249 ( -5.479 0.000 1.262) 5.622 6.251 ( 6.418 0.000 6.912) 9.433 6.330 ( -1.391 0.000 -0.876) 1.644 6.540 ( 4.586 0.000 -12.507) 13.321 6.550 ( 5.782 0.000 -5.970) 8.311 6.610 ( 3.500 0.000 -1.372) 3.760 6.631 ( 6.457 0.000 -2.730) 7.011 6.699 ( -2.271 0.000 -3.419) 4.104 6.771 ( -3.592 0.000 -2.414) 4.328 6.888 ( 2.883 0.000 2.996) 4.158 7.013 ( -7.471 0.000 4.416) 8.678 7.043 ( 7.936 0.000 2.218) 8.241 7.095 ( -3.078 0.000 4.643) 5.570 7.212 ( 0.672 0.000 2.057) 2.163 7.250 ( 0.386 0.000 13.781) 13.786 7.285 ( 1.773 0.000 1.157) 2.117 7.410 ( 2.021 0.000 6.497) 6.804 7.489 ( 2.112 0.000 3.538) 4.121 7.522 ( 0.106 0.000 5.674) 5.675 7.560 ( 2.809 0.000 2.084) 3.497 7.598 ( -6.274 0.000 0.380) 6.286 7.606 ( 1.960 0.000 5.198) 5.555 7.715 ( -7.025 0.000 1.799) 7.252 7.913 ( 4.258 0.000 7.849) 8.929 7.940 ( -3.830 0.000 -1.305) 4.046 8.060 ( 3.671 0.000 3.581) 5.128 8.075 ( 5.773 0.000 9.871) 11.435 8.121 ( -2.467 0.000 3.104) 3.965 8.300 ( -12.866 0.000 7.698) 14.993 8.399 ( 3.951 0.000 5.719) 6.951 8.571 ( -11.218 0.000 6.204) 12.819 8.827 ( 6.924 0.000 -8.541) 10.995 8.912 ( 1.121 0.000 -10.376) 10.437 8.948 ( 3.810 0.000 2.418) 4.513 8.973 ( 3.555 0.000 2.027) 4.092 9.116 ( -0.562 0.000 5.236) 5.266 9.229 ( 4.363 0.000 -0.268) 4.371 9.255 ( -9.983 0.000 -4.417) 10.916 9.342 ( 10.164 0.000 1.442) 10.265 9.388 ( -9.682 0.000 4.991) 10.893 9.510 ( -3.120 0.000 -2.940) 4.287 9.599 ( -1.463 0.000 0.142) 1.470 9.606 ( -3.123 0.000 -4.189) 5.225 9.705 ( 1.546 0.000 -2.699) 3.111 9.784 ( -5.505 0.000 1.363) 5.671 9.973 ( 6.533 0.000 -0.204) 6.536 9.983 ( 9.337 0.000 4.486) 10.359 10.226 ( -3.046 0.000 6.009) 6.737 10.281 ( -12.396 0.000 5.181) 13.435 10.582 ( 2.316 0.000 -1.887) 2.987 10.662 ( -2.724 0.000 -2.431) 3.651 10.730 ( 5.482 0.000 0.739) 5.532 10.741 ( 6.197 0.000 1.736) 6.436 10.813 ( -1.330 0.000 -2.024) 2.422 10.874 ( -6.019 0.000 -5.648) 8.254 11.047 ( 1.769 0.000 -0.503) 1.839 11.092 ( -2.884 0.000 -1.092) 3.084 11.434 ( 5.157 0.000 -8.246) 9.726 11.464 ( 5.600 0.000 -11.743) 13.010 11.607 ( 3.320 0.000 -3.523) 4.841 11.743 ( -6.609 0.000 -6.610) 9.347 11.792 ( 0.745 0.000 -6.441) 6.484 11.822 ( -1.358 0.000 -5.625) 5.787 12.015 ( 1.481 0.000 -2.268) 2.709 12.030 ( 4.270 0.000 -1.725) 4.605 12.059 ( -2.863 0.000 -5.531) 6.228 12.082 ( -0.701 0.000 -2.402) 2.502 12.373 ( 4.774 0.000 4.384) 6.481 12.422 ( -0.252 0.000 -4.069) 4.077 12.541 ( 9.886 0.000 4.004) 10.666 12.582 ( 3.319 0.000 2.162) 3.961 12.626 ( 1.184 0.000 4.443) 4.598 12.732 ( 5.729 0.000 1.661) 5.965 12.803 ( -11.552 0.000 2.432) 11.805 12.858 ( -7.298 0.000 0.886) 7.351 12.926 ( -3.850 0.000 4.563) 5.970 12.947 ( -6.183 0.000 3.699) 7.206 13.132 ( -3.104 0.000 0.055) 3.105 13.179 ( -6.391 0.000 -4.852) 8.024 13.725 ( 4.232 0.000 -5.650) 7.059 13.763 ( 3.979 0.000 -6.865) 7.935 13.786 ( -1.692 0.000 -4.994) 5.273 13.807 ( -0.680 0.000 -6.279) 6.316 14.138 ( 10.483 0.000 0.437) 10.492 14.264 ( 4.261 0.000 -0.638) 4.308 14.326 ( -5.623 0.000 0.306) 5.632 14.373 ( -7.250 0.000 -0.762) 7.290 14.578 ( -0.077 0.000 -0.408) 0.415 14.601 ( -2.138 0.000 -0.079) 2.139 14.989 ( 1.887 0.000 -2.303) 2.978 15.002 ( 1.790 0.000 -1.800) 2.539 15.036 ( 2.122 0.000 -6.271) 6.620 15.072 ( 1.808 0.000 -4.597) 4.940 15.101 ( -3.763 0.000 -6.240) 7.287 15.138 ( -5.054 0.000 -7.060) 8.682 16.036 ( 1.046 0.000 -2.113) 2.357 16.057 ( -0.673 0.000 -1.875) 1.992 16.095 ( 0.076 0.000 -1.200) 1.203 16.118 ( -1.800 0.000 -1.309) 2.225 16.249 ( 3.578 0.000 2.129) 4.163 16.276 ( 2.147 0.000 -1.229) 2.474 16.287 ( 1.052 0.000 -0.388) 1.121 16.329 ( 5.260 0.000 -1.874) 5.584 16.344 ( -4.611 0.000 2.218) 5.116 16.370 ( 0.922 0.000 -3.239) 3.368 16.423 ( -2.269 0.000 3.019) 3.776 16.458 ( -4.815 0.000 -0.378) 4.830 16.824 ( 1.132 0.000 1.791) 2.119 16.871 ( -3.187 0.000 -2.969) 4.355 16.917 ( 4.792 0.000 3.540) 5.958 16.949 ( 4.050 0.000 1.212) 4.227 17.037 ( -8.205 0.000 4.005) 9.131 17.097 ( -10.729 0.000 4.980) 11.828 17.710 ( 1.125 0.000 -1.526) 1.896 17.715 ( 0.198 0.000 -0.776) 0.801 17.820 ( 0.447 0.000 0.170) 0.478 17.889 ( -6.723 0.000 -0.985) 6.795 17.964 ( 1.923 0.000 -1.147) 2.239 18.040 ( -4.962 0.000 -3.180) 5.894 18.109 ( 1.320 0.000 -0.747) 1.516 18.151 ( 1.965 0.000 -7.144) 7.409 18.204 ( -2.652 0.000 2.456) 3.615 18.265 ( -4.051 0.000 -5.891) 7.149 18.272 ( 4.598 0.000 -5.017) 6.806 18.377 ( -4.893 0.000 -3.903) 6.260 18.568 ( 2.347 0.000 -2.506) 3.434 18.606 ( -1.006 0.000 -2.868) 3.039 18.866 ( 5.055 0.000 -0.290) 5.063 18.895 ( 5.605 0.000 -1.933) 5.929 18.917 ( 0.407 0.000 -1.377) 1.436 18.948 ( 0.690 0.000 -3.016) 3.094 26.116 ( 1.914 0.000 0.494) 1.976 26.153 ( -1.496 0.000 -0.238) 1.515 26.256 ( 0.330 0.000 -0.113) 0.348 26.256 ( 0.194 0.000 0.091) 0.214 27.459 ( 1.266 0.000 0.815) 1.505 27.471 ( 0.060 0.000 0.416) 0.420 27.512 ( 3.571 0.000 -0.004) 3.571 27.576 ( -2.366 0.000 -1.081) 2.601 28.022 ( 0.509 0.000 -0.182) 0.541 28.025 ( 0.190 0.000 -0.821) 0.843 28.133 ( 0.574 0.000 -0.532) 0.783 28.144 ( -0.566 0.000 -0.351) 0.666 28.791 ( 6.712 0.000 0.021) 6.712 28.808 ( 5.673 0.000 -0.393) 5.686 28.840 ( 1.807 0.000 -1.513) 2.357 28.858 ( 0.513 0.000 -1.333) 1.428 28.940 ( 2.685 0.000 1.140) 2.917 29.022 ( -2.285 0.000 0.843) 2.436 29.067 ( 3.186 0.000 2.574) 4.096 29.183 ( -6.257 0.000 0.515) 6.278 29.437 ( 4.437 0.000 4.893) 6.605 29.601 ( -7.129 0.000 1.549) 7.295 29.614 ( 2.326 0.000 2.505) 3.418 29.705 ( -7.964 0.000 1.350) 8.077 30.758 ( 6.603 0.000 -9.436) 11.517 30.763 ( 5.734 0.000 -6.746) 8.854 31.462 ( -0.743 0.000 6.653) 6.695 31.489 ( -2.964 0.000 2.545) 3.907 31.605 ( 7.602 0.000 0.801) 7.644 31.717 ( -2.216 0.000 -0.115) 2.219 31.747 ( 5.929 0.000 -3.648) 6.961 31.801 ( 0.112 0.000 -4.742) 4.744 31.975 ( -0.063 0.000 -1.982) 1.983 31.983 ( -0.057 0.000 -1.211) 1.213 32.126 ( 0.689 0.000 2.048) 2.161 32.178 ( -3.350 0.000 -1.073) 3.517 32.553 ( 8.173 0.000 -10.308) 13.155 32.738 ( -8.760 0.000 -14.120) 16.617 32.926 ( -0.985 0.000 -11.330) 11.372 32.935 ( -1.629 0.000 -8.951) 9.098 33.539 ( 0.955 0.000 1.069) 1.433 33.566 ( -1.419 0.000 0.445) 1.487 34.019 ( 2.721 0.000 -0.120) 2.723 34.075 ( -0.061 0.000 0.742) 0.744 34.090 ( 0.485 0.000 5.364) 5.386 34.240 ( -12.055 0.000 4.870) 13.001 34.494 ( 6.043 0.000 -6.803) 9.100 34.664 ( -9.591 0.000 -9.805) 13.716 ======================= Grid point 35 (16/30) ======================= q-point: ( 0.00 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 39 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.489 ( 0.000 19.963 25.806) 32.627 1.593 ( 0.000 18.463 24.273) 30.497 1.953 ( 0.000 -21.926 16.008) 27.148 2.025 ( 0.000 -21.105 11.584) 24.076 2.463 ( 0.000 4.090 1.927) 4.521 2.496 ( 0.000 6.993 4.135) 8.124 2.645 ( 0.000 1.230 0.844) 1.492 2.654 ( 0.000 -5.996 5.944) 8.444 2.805 ( 0.000 -0.108 17.467) 17.467 2.823 ( 0.000 -0.904 4.278) 4.372 3.027 ( 0.000 0.763 17.482) 17.499 3.044 ( 0.000 -1.232 13.250) 13.307 3.161 ( 0.000 2.584 17.765) 17.952 3.197 ( 0.000 4.388 15.403) 16.016 3.258 ( 0.000 6.410 9.245) 11.250 3.317 ( 0.000 8.896 8.166) 12.076 3.430 ( 0.000 -0.089 13.647) 13.647 3.561 ( 0.000 -1.178 4.445) 4.598 3.706 ( 0.000 3.219 6.477) 7.233 3.747 ( 0.000 -17.626 2.812) 17.849 3.750 ( 0.000 -0.664 3.791) 3.849 3.782 ( 0.000 0.394 4.354) 4.372 3.841 ( 0.000 2.494 3.329) 4.160 3.945 ( 0.000 -13.020 9.322) 16.013 3.998 ( 0.000 2.463 3.241) 4.070 4.030 ( 0.000 6.218 0.819) 6.271 4.121 ( 0.000 -1.097 0.320) 1.142 4.151 ( 0.000 4.296 2.133) 4.796 4.241 ( 0.000 0.779 -1.255) 1.477 4.276 ( 0.000 0.441 -1.129) 1.212 4.400 ( 0.000 2.984 -4.440) 5.349 4.458 ( 0.000 4.086 -3.002) 5.070 4.510 ( 0.000 1.642 -0.445) 1.701 4.520 ( 0.000 -1.703 5.229) 5.500 4.585 ( 0.000 -1.521 10.800) 10.906 4.625 ( 0.000 -0.774 5.126) 5.184 4.721 ( 0.000 -0.717 7.646) 7.680 4.778 ( 0.000 -8.912 0.103) 8.913 4.914 ( 0.000 2.483 12.683) 12.924 4.967 ( 0.000 -3.024 1.104) 3.219 4.978 ( 0.000 0.721 -1.770) 1.911 5.055 ( 0.000 -6.660 -0.862) 6.716 5.192 ( 0.000 5.450 -3.680) 6.576 5.251 ( 0.000 -0.230 -3.292) 3.300 5.298 ( 0.000 -0.502 0.870) 1.004 5.326 ( 0.000 -4.426 0.544) 4.459 5.409 ( 0.000 3.216 2.262) 3.931 5.474 ( 0.000 2.632 4.371) 5.102 5.479 ( 0.000 -2.429 1.327) 2.768 5.479 ( 0.000 3.110 -1.260) 3.356 5.533 ( 0.000 0.947 12.746) 12.781 5.557 ( 0.000 1.223 2.532) 2.812 5.651 ( 0.000 -3.530 -4.375) 5.621 5.679 ( 0.000 -6.171 -2.092) 6.516 5.738 ( 0.000 -2.621 -4.095) 4.862 5.744 ( 0.000 -2.588 -10.280) 10.601 5.812 ( 0.000 6.719 -6.970) 9.681 5.965 ( 0.000 -5.691 -0.386) 5.704 6.041 ( 0.000 1.874 1.066) 2.156 6.091 ( 0.000 -1.564 -0.174) 1.574 6.139 ( 0.000 3.601 -10.942) 11.520 6.260 ( 0.000 -5.770 -7.885) 9.771 6.283 ( 0.000 7.756 9.674) 12.399 6.449 ( 0.000 -3.062 10.970) 11.389 6.462 ( 0.000 4.198 -1.835) 4.582 6.557 ( 0.000 0.032 -7.766) 7.767 6.585 ( 0.000 -2.838 2.096) 3.528 6.615 ( 0.000 0.085 -3.632) 3.633 6.721 ( 0.000 1.074 -4.887) 5.004 6.729 ( 0.000 1.386 -8.227) 8.343 6.942 ( 0.000 4.063 3.537) 5.387 6.947 ( 0.000 6.553 -1.276) 6.676 7.043 ( 0.000 6.613 3.497) 7.481 7.097 ( 0.000 6.095 4.963) 7.860 7.185 ( 0.000 1.060 2.989) 3.171 7.223 ( 0.000 -3.836 12.406) 12.986 7.350 ( 0.000 -1.719 -4.188) 4.527 7.363 ( 0.000 1.841 6.626) 6.877 7.389 ( 0.000 7.935 2.939) 8.462 7.407 ( 0.000 -12.236 -6.116) 13.680 7.421 ( 0.000 -2.275 -1.530) 2.741 7.576 ( 0.000 -6.191 -5.484) 8.271 7.695 ( 0.000 3.301 6.508) 7.297 7.776 ( 0.000 -4.124 5.380) 6.778 7.924 ( 0.000 3.548 2.819) 4.531 7.998 ( 0.000 -1.671 1.441) 2.206 8.090 ( 0.000 7.898 -0.550) 7.917 8.208 ( 0.000 -3.602 -0.209) 3.608 8.352 ( 0.000 -2.338 3.681) 4.360 8.364 ( 0.000 -1.165 -4.644) 4.788 8.381 ( 0.000 2.537 8.819) 9.177 8.407 ( 0.000 -0.800 -1.709) 1.887 8.620 ( 0.000 2.115 4.804) 5.249 8.691 ( 0.000 -5.077 2.984) 5.889 8.885 ( 0.000 13.628 4.520) 14.358 9.069 ( 0.000 4.701 4.681) 6.634 9.191 ( 0.000 -6.078 0.184) 6.081 9.292 ( 0.000 -6.921 5.316) 8.727 9.401 ( 0.000 0.832 9.693) 9.728 9.448 ( 0.000 -2.786 7.717) 8.204 9.567 ( 0.000 7.357 -4.832) 8.802 9.596 ( 0.000 0.799 -2.702) 2.818 9.649 ( 0.000 -2.763 1.668) 3.228 9.718 ( 0.000 -3.373 -1.038) 3.529 9.838 ( 0.000 2.523 3.109) 4.004 9.875 ( 0.000 -0.801 0.457) 0.922 10.024 ( 0.000 -1.933 0.901) 2.133 10.029 ( 0.000 -1.282 5.828) 5.967 10.118 ( 0.000 -1.308 9.599) 9.688 10.125 ( 0.000 -2.913 -1.258) 3.173 10.440 ( 0.000 2.292 1.893) 2.972 10.496 ( 0.000 -2.429 1.507) 2.858 10.644 ( 0.000 1.902 3.112) 3.647 10.685 ( 0.000 -2.213 1.924) 2.932 10.761 ( 0.000 1.605 -1.598) 2.265 10.844 ( 0.000 -6.183 -0.027) 6.183 10.993 ( 0.000 6.396 1.090) 6.488 11.138 ( 0.000 -6.151 -3.837) 7.250 11.283 ( 0.000 5.119 -5.193) 7.292 11.301 ( 0.000 2.233 -8.479) 8.768 11.654 ( 0.000 1.996 -1.546) 2.525 11.723 ( 0.000 -4.190 -3.376) 5.381 11.873 ( 0.000 4.154 -0.247) 4.161 11.883 ( 0.000 1.760 -4.300) 4.646 11.931 ( 0.000 4.871 -17.744) 18.401 12.029 ( 0.000 -1.472 -12.112) 12.201 12.090 ( 0.000 1.567 -2.647) 3.076 12.178 ( 0.000 -7.101 0.990) 7.169 12.227 ( 0.000 1.771 1.903) 2.599 12.278 ( 0.000 -3.678 0.311) 3.691 12.429 ( 0.000 -0.502 3.646) 3.680 12.441 ( 0.000 -1.030 -2.999) 3.171 12.538 ( 0.000 4.415 0.643) 4.461 12.616 ( 0.000 -2.406 1.160) 2.671 13.110 ( 0.000 4.619 9.208) 10.302 13.159 ( 0.000 -0.435 2.945) 2.977 13.242 ( 0.000 0.279 1.650) 1.674 13.275 ( 0.000 -2.791 6.678) 7.238 13.312 ( 0.000 3.183 -3.011) 4.381 13.358 ( 0.000 -0.616 -1.524) 1.644 13.539 ( 0.000 2.175 -4.938) 5.396 13.584 ( 0.000 -1.882 -5.937) 6.229 13.810 ( 0.000 0.329 -5.815) 5.824 13.815 ( 0.000 -0.114 -4.171) 4.173 13.889 ( 0.000 4.582 -4.355) 6.321 14.014 ( 0.000 -6.748 -7.360) 9.985 14.458 ( 0.000 4.584 -7.745) 9.000 14.506 ( 0.000 -0.316 -5.907) 5.915 14.693 ( 0.000 -1.706 -0.581) 1.802 14.699 ( 0.000 -1.924 -3.351) 3.864 14.832 ( 0.000 0.976 -1.030) 1.419 14.852 ( 0.000 -0.821 -2.307) 2.448 15.052 ( 0.000 -0.137 -1.838) 1.843 15.052 ( 0.000 -0.154 -1.824) 1.831 15.236 ( 0.000 2.371 -5.574) 6.057 15.288 ( 0.000 -2.337 -6.433) 6.844 16.017 ( 0.000 1.106 -1.872) 2.174 16.033 ( 0.000 -0.393 -1.762) 1.806 16.122 ( 0.000 1.140 1.802) 2.132 16.155 ( 0.000 -2.103 1.843) 2.796 16.179 ( 0.000 -0.120 1.666) 1.671 16.184 ( 0.000 -0.704 1.856) 1.985 16.220 ( 0.000 0.457 1.748) 1.806 16.230 ( 0.000 -0.536 1.852) 1.928 16.367 ( 0.000 2.448 -4.988) 5.557 16.407 ( 0.000 -1.367 -3.819) 4.056 16.562 ( 0.000 3.806 4.362) 5.789 16.665 ( 0.000 -5.434 0.455) 5.453 16.742 ( 0.000 0.264 3.758) 3.767 16.749 ( 0.000 -0.336 4.377) 4.390 16.928 ( 0.000 1.590 0.307) 1.620 16.963 ( 0.000 -1.457 -0.622) 1.584 17.464 ( 0.000 0.516 4.037) 4.070 17.472 ( 0.000 -0.123 6.841) 6.842 17.599 ( 0.000 1.649 1.125) 1.996 17.677 ( 0.000 -5.944 1.538) 6.140 17.859 ( 0.000 1.569 -9.875) 9.999 17.909 ( 0.000 -2.634 -11.181) 11.487 18.120 ( 0.000 -0.283 -0.596) 0.660 18.129 ( 0.000 -1.067 -1.428) 1.782 18.223 ( 0.000 4.378 0.530) 4.410 18.288 ( 0.000 1.710 -4.301) 4.629 18.324 ( 0.000 -1.074 -6.765) 6.850 18.325 ( 0.000 -3.874 0.714) 3.939 18.410 ( 0.000 4.716 -8.155) 9.420 18.471 ( 0.000 -1.275 -2.423) 2.738 18.514 ( 0.000 3.071 -0.272) 3.083 18.561 ( 0.000 -0.815 -1.599) 1.795 18.617 ( 0.000 0.491 1.115) 1.219 18.641 ( 0.000 -1.510 -2.829) 3.207 18.791 ( 0.000 0.065 -3.303) 3.303 18.800 ( 0.000 -0.385 -4.044) 4.062 26.120 ( 0.000 4.008 -0.309) 4.020 26.171 ( 0.000 -0.797 -0.663) 1.037 26.217 ( 0.000 0.122 0.453) 0.469 26.235 ( 0.000 -1.426 -0.115) 1.431 27.401 ( 0.000 0.164 0.979) 0.993 27.405 ( 0.000 -0.192 1.131) 1.147 27.508 ( 0.000 4.128 -2.207) 4.681 27.585 ( 0.000 -2.828 -3.186) 4.260 27.993 ( 0.000 0.437 -0.930) 1.027 28.004 ( 0.000 -0.581 -1.845) 1.934 28.134 ( 0.000 1.168 0.673) 1.348 28.160 ( 0.000 -1.158 0.398) 1.225 28.577 ( 0.000 0.740 0.606) 0.957 28.595 ( 0.000 -0.860 0.295) 0.909 28.677 ( 0.000 0.848 -1.184) 1.457 28.694 ( 0.000 -0.705 -1.615) 1.762 28.915 ( 0.000 1.004 0.155) 1.015 28.941 ( 0.000 -1.443 0.528) 1.537 29.115 ( 0.000 5.511 3.002) 6.276 29.256 ( 0.000 -7.370 0.703) 7.403 29.491 ( 0.000 -1.750 7.092) 7.305 29.497 ( 0.000 -1.075 5.946) 6.043 29.929 ( 0.000 11.891 -6.392) 13.500 30.111 ( 0.000 -5.764 -8.282) 10.090 30.341 ( 0.000 0.436 -0.141) 0.459 30.352 ( 0.000 -0.550 -0.531) 0.764 31.387 ( 0.000 1.374 3.353) 3.624 31.423 ( 0.000 -1.853 2.597) 3.190 31.602 ( 0.000 1.874 6.051) 6.335 31.619 ( 0.000 -0.015 -1.305) 1.305 31.644 ( 0.000 2.115 -0.817) 2.267 31.722 ( 0.000 -4.567 -1.092) 4.696 31.980 ( 0.000 2.169 1.032) 2.402 32.056 ( 0.000 -3.405 2.001) 3.949 32.079 ( 0.000 4.008 -2.022) 4.489 32.195 ( 0.000 -4.332 -7.429) 8.600 32.594 ( 0.000 12.972 0.759) 12.995 32.845 ( 0.000 -10.437 -3.851) 11.125 32.957 ( 0.000 0.068 -13.684) 13.684 32.977 ( 0.000 -1.772 -11.991) 12.121 33.551 ( 0.000 1.723 2.384) 2.942 33.588 ( 0.000 -1.475 1.569) 2.153 33.999 ( 0.000 2.838 -2.318) 3.664 34.049 ( 0.000 -1.321 -2.789) 3.086 34.170 ( 0.000 2.346 4.548) 5.118 34.282 ( 0.000 -8.314 3.262) 8.931 34.851 ( 0.000 3.701 -13.178) 13.688 34.903 ( 0.000 -1.502 -12.287) 12.379 ======================= Grid point 36 (17/30) ======================= q-point: ( 0.20 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 61 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.719 ( 14.972 13.130 21.436) 29.258 1.918 ( 25.905 8.176 17.553) 32.342 2.081 ( 12.146 -13.769 11.535) 21.683 2.168 ( 10.174 -10.398 9.464) 17.355 2.472 ( 0.914 2.543 5.774) 6.375 2.534 ( 5.103 -1.218 5.627) 7.693 2.654 ( 1.441 0.197 6.600) 6.758 2.699 ( 2.510 -2.047 1.624) 3.623 2.889 ( 5.219 -0.735 0.826) 5.334 2.904 ( 5.739 -1.307 12.085) 13.442 3.022 ( 0.598 3.888 18.021) 18.445 3.059 ( 1.148 1.083 17.501) 17.572 3.153 ( -2.172 2.425 8.020) 8.656 3.208 ( 1.415 3.023 11.437) 11.914 3.252 ( 0.911 6.193 15.315) 16.545 3.402 ( 4.584 -3.846 13.117) 14.417 3.453 ( -0.313 2.726 9.534) 9.921 3.553 ( 0.862 0.794 7.477) 7.568 3.595 ( -6.621 -1.694 5.327) 8.665 3.702 ( -1.232 -1.906 5.138) 5.617 3.745 ( -1.632 -2.977 2.161) 4.024 3.775 ( -2.282 -5.004 7.322) 9.157 3.817 ( -1.826 1.157 7.137) 7.458 3.894 ( -0.594 -4.213 4.458) 6.163 3.944 ( -1.953 8.778 6.362) 11.016 4.082 ( 1.879 0.212 -1.120) 2.198 4.124 ( -3.820 9.047 4.221) 10.689 4.161 ( 0.741 -0.079 -0.062) 0.748 4.225 ( 3.177 -7.738 3.451) 9.049 4.333 ( 1.193 -3.722 2.631) 4.712 4.373 ( 1.873 3.521 0.117) 3.990 4.453 ( 1.366 -2.923 0.186) 3.232 4.498 ( -0.471 3.117 -0.922) 3.284 4.579 ( 2.415 -3.719 -0.761) 4.499 4.637 ( 4.752 5.236 -0.072) 7.071 4.720 ( 5.121 0.407 6.978) 8.665 4.767 ( 0.638 -1.434 0.328) 1.603 4.817 ( 4.618 -4.894 7.153) 9.820 4.905 ( 1.336 1.614 9.844) 10.064 4.951 ( -0.117 -1.512 0.809) 1.719 5.000 ( 0.419 -2.168 -1.185) 2.506 5.051 ( 0.879 -3.233 -0.371) 3.371 5.169 ( 0.266 2.151 -5.070) 5.513 5.239 ( -4.291 0.888 -1.264) 4.561 5.263 ( 0.915 -3.493 1.720) 3.999 5.305 ( -3.815 0.348 6.111) 7.212 5.368 ( -6.868 0.378 1.221) 6.986 5.416 ( -4.103 -1.658 -1.292) 4.610 5.442 ( 1.030 5.566 -1.133) 5.773 5.511 ( 0.207 2.505 6.055) 6.555 5.553 ( 3.851 -0.600 -1.574) 4.203 5.575 ( -2.343 -0.795 1.347) 2.817 5.665 ( -1.111 -2.436 -4.832) 5.524 5.675 ( -0.296 -1.066 -4.698) 4.826 5.690 ( -0.406 1.280 -5.134) 5.307 5.780 ( 4.764 -7.924 -2.418) 9.557 5.853 ( 2.362 3.863 -5.190) 6.888 5.983 ( 2.086 -5.948 0.450) 6.319 6.017 ( -2.625 0.712 0.613) 2.788 6.070 ( -2.237 -3.322 0.598) 4.050 6.192 ( 1.876 2.624 0.267) 3.237 6.290 ( -1.285 -7.471 -3.990) 8.566 6.321 ( 4.441 8.180 0.294) 9.313 6.412 ( 1.331 2.441 8.063) 8.529 6.496 ( 2.866 5.109 0.052) 5.858 6.592 ( 1.055 4.160 -4.215) 6.015 6.600 ( 0.719 -0.767 -0.264) 1.084 6.613 ( 1.936 3.320 -6.608) 7.645 6.741 ( 2.243 -0.361 -3.807) 4.433 6.750 ( 2.630 -1.978 -5.758) 6.632 6.860 ( -5.919 6.612 -2.185) 9.139 6.959 ( -0.731 1.712 4.370) 4.750 7.032 ( -3.316 1.352 3.683) 5.136 7.066 ( 0.168 4.055 0.527) 4.092 7.168 ( -3.811 -6.944 10.413) 13.084 7.273 ( 3.133 -4.800 3.750) 6.849 7.299 ( -3.006 0.099 3.747) 4.805 7.342 ( -1.786 -3.019 -3.025) 4.632 7.362 ( -1.207 -3.725 6.463) 7.557 7.428 ( 3.466 -5.075 -1.169) 6.255 7.511 ( 5.624 7.941 3.283) 10.270 7.617 ( 7.145 -0.907 1.087) 7.284 7.736 ( -0.355 3.667 3.367) 4.991 7.811 ( 2.510 -4.111 5.057) 6.984 7.926 ( -3.851 2.972 4.398) 6.558 7.953 ( -3.972 2.828 4.595) 6.700 7.987 ( 0.787 3.144 -1.408) 3.534 8.095 ( -4.587 -3.720 -2.966) 6.609 8.294 ( -5.081 4.176 7.830) 10.225 8.354 ( -2.089 -1.122 9.503) 9.795 8.505 ( 6.530 2.145 1.107) 6.962 8.596 ( 6.949 -6.006 2.660) 9.562 8.752 ( 8.170 2.227 -3.045) 8.998 8.781 ( 7.490 2.462 -1.316) 7.993 8.894 ( 2.773 5.631 2.347) 6.701 8.971 ( -7.825 1.849 1.217) 8.133 9.158 ( -2.410 -3.531 2.110) 4.767 9.190 ( -4.685 -3.129 4.909) 7.473 9.352 ( -6.600 2.629 3.396) 7.874 9.391 ( -4.254 -2.452 0.440) 4.930 9.470 ( 0.243 -1.108 5.117) 5.241 9.512 ( -4.926 -3.482 -0.953) 6.108 9.649 ( -5.742 1.213 -5.341) 7.935 9.664 ( -4.475 -0.279 -3.486) 5.679 9.797 ( -5.390 2.789 2.931) 6.739 9.870 ( -4.982 -3.797 3.926) 7.393 9.924 ( 1.029 5.076 2.177) 5.618 9.998 ( -1.637 0.802 4.376) 4.740 10.139 ( 3.456 -0.699 0.495) 3.560 10.268 ( 6.415 -9.729 5.435) 12.859 10.535 ( 5.214 1.004 3.373) 6.291 10.566 ( 3.778 -1.971 3.281) 5.377 10.699 ( 5.942 5.096 0.799) 7.869 10.745 ( 1.429 3.546 -2.312) 4.468 10.817 ( 5.227 -1.145 -0.823) 5.413 10.897 ( 2.499 -5.690 -5.987) 8.629 10.998 ( 1.043 4.328 -0.074) 4.452 11.124 ( -0.683 -5.127 -4.414) 6.800 11.273 ( -0.603 1.843 -5.393) 5.731 11.302 ( 1.389 -0.944 -6.081) 6.308 11.652 ( 0.272 4.485 -2.041) 4.935 11.753 ( 2.036 -4.119 -3.464) 5.755 11.866 ( -1.075 2.028 -3.795) 4.435 11.877 ( -1.502 -0.110 -4.337) 4.591 11.936 ( 1.454 5.573 -13.116) 14.325 12.021 ( -0.061 -0.376 -7.062) 7.072 12.106 ( 1.470 1.740 -2.930) 3.711 12.188 ( -4.015 -1.695 -7.665) 8.817 12.193 ( 0.092 -2.297 1.748) 2.889 12.288 ( 0.618 -4.706 0.191) 4.750 12.420 ( 4.518 0.405 5.008) 6.757 12.445 ( 2.600 -1.724 2.971) 4.308 12.633 ( 5.607 2.141 0.325) 6.010 12.658 ( 2.709 0.070 1.626) 3.161 13.029 ( -7.835 1.741 4.380) 9.144 13.051 ( -8.029 0.107 2.953) 8.555 13.115 ( -9.403 3.336 3.652) 10.625 13.201 ( -5.798 -3.634 6.132) 9.189 13.210 ( -8.618 5.119 -1.475) 10.131 13.295 ( -5.806 -2.033 -1.733) 6.392 13.621 ( 6.116 1.215 -6.134) 8.747 13.647 ( 5.165 -1.155 -6.427) 8.325 13.805 ( -0.386 0.566 -5.760) 5.801 13.818 ( -0.568 -0.667 -4.782) 4.862 13.974 ( 7.513 4.118 -1.841) 8.763 14.086 ( 5.777 -6.136 -3.923) 9.296 14.439 ( -2.250 3.390 -4.792) 6.287 14.485 ( -2.978 -0.989 -4.359) 5.371 14.629 ( -3.360 0.670 -1.506) 3.742 14.654 ( -2.867 -1.037 -1.006) 3.211 14.905 ( 4.838 0.072 -1.523) 5.072 14.925 ( 4.531 -1.266 -2.475) 5.316 15.032 ( -1.003 0.476 -3.323) 3.503 15.045 ( -0.463 -0.707 -2.860) 2.983 15.195 ( -3.571 1.723 -5.881) 7.092 15.235 ( -4.669 -1.833 -6.639) 8.321 16.023 ( 0.548 0.744 -2.056) 2.254 16.040 ( 0.436 -0.793 -1.788) 2.004 16.129 ( -0.282 1.443 0.726) 1.640 16.157 ( -0.589 -0.761 0.679) 1.178 16.198 ( 2.301 0.585 1.189) 2.656 16.217 ( 2.831 -0.705 -0.053) 2.918 16.236 ( 1.280 -0.219 1.226) 1.786 16.242 ( 2.548 -0.554 2.212) 3.420 16.367 ( 0.210 2.056 -4.704) 5.138 16.399 ( -0.760 -0.989 -3.237) 3.469 16.506 ( -4.565 2.028 3.709) 6.222 16.566 ( -7.468 -3.315 1.955) 8.401 16.789 ( 3.281 0.789 4.417) 5.558 16.805 ( 4.167 -0.734 5.062) 6.598 16.914 ( -0.906 0.267 -2.240) 2.431 16.927 ( -1.897 -0.773 -1.633) 2.619 17.307 ( -13.296 1.791 6.105) 14.740 17.345 ( -12.019 -1.538 5.440) 13.282 17.642 ( 3.287 -0.081 0.223) 3.296 17.672 ( 0.911 -3.141 0.486) 3.306 17.848 ( -0.267 2.278 -6.267) 6.674 17.907 ( -0.187 -3.177 -6.258) 7.021 18.101 ( -4.206 2.068 -5.317) 7.088 18.127 ( -1.744 0.342 -1.121) 2.102 18.148 ( -3.202 1.574 -0.416) 3.592 18.188 ( -7.501 -0.257 -3.809) 8.416 18.202 ( -3.505 0.323 -3.398) 4.893 18.259 ( -4.892 -3.887 1.835) 6.512 18.378 ( -2.257 4.221 -5.608) 7.373 18.443 ( -2.759 -1.733 -3.296) 4.634 18.558 ( 1.965 2.690 -3.168) 4.598 18.598 ( 1.668 -0.787 -3.204) 3.697 18.727 ( 7.917 0.140 0.603) 7.941 18.736 ( 7.330 -0.607 -1.156) 7.446 18.860 ( 4.921 0.412 -2.857) 5.705 18.872 ( 5.081 -0.584 -3.499) 6.196 26.120 ( 0.341 3.051 0.346) 3.090 26.166 ( -0.422 -1.112 -0.316) 1.230 26.236 ( 1.135 -0.025 -0.256) 1.164 26.243 ( 0.507 -0.700 -0.273) 0.907 27.426 ( 2.063 0.360 0.932) 2.292 27.435 ( 2.574 -0.432 0.827) 2.737 27.507 ( -0.054 3.622 -1.369) 3.873 27.578 ( -0.661 -2.786 -2.345) 3.701 28.006 ( 1.003 0.226 -0.633) 1.207 28.013 ( 0.682 -0.341 -1.352) 1.553 28.132 ( -0.026 0.843 0.226) 0.874 28.151 ( -0.617 -0.827 0.172) 1.047 28.646 ( 6.146 0.604 0.581) 6.203 28.660 ( 5.880 -0.667 0.359) 5.928 28.760 ( 5.994 0.846 -2.061) 6.394 28.778 ( 5.712 -0.784 -2.390) 6.241 28.926 ( 1.030 1.272 0.385) 1.681 28.958 ( 1.688 -1.871 0.728) 2.623 29.115 ( 0.049 5.308 2.203) 5.747 29.233 ( -2.260 -5.360 0.325) 5.826 29.460 ( -2.231 0.400 6.605) 6.983 29.498 ( 0.486 -3.548 5.572) 6.624 29.816 ( -7.691 6.859 -1.214) 10.376 29.915 ( -11.884 -2.939 -2.236) 12.445 30.539 ( 13.122 0.782 -6.927) 14.859 30.555 ( 12.871 -0.591 -5.702) 14.090 31.449 ( 5.020 0.990 2.676) 5.774 31.478 ( 3.198 -1.599 1.576) 3.907 31.573 ( -2.338 2.216 4.402) 5.454 31.612 ( 0.769 -0.323 1.887) 2.063 31.693 ( 3.570 0.644 -2.221) 4.254 31.739 ( 1.969 -3.497 -2.675) 4.823 31.984 ( 0.316 1.923 0.536) 2.022 32.044 ( -0.996 -1.909 0.974) 2.363 32.086 ( 0.740 3.450 -1.515) 3.840 32.196 ( -0.129 -4.110 -6.661) 7.828 32.591 ( 0.291 12.018 -1.473) 12.111 32.831 ( -1.186 -10.218 -5.463) 11.648 32.904 ( -4.556 1.172 -13.193) 14.006 32.949 ( -2.711 -2.807 -11.868) 12.493 33.546 ( -0.372 1.416 1.939) 2.430 33.577 ( -0.887 -1.356 1.255) 2.050 34.018 ( 1.843 3.202 -2.064) 4.232 34.059 ( 0.717 -0.363 -0.680) 1.053 34.139 ( -2.490 1.550 4.130) 5.065 34.248 ( -3.042 -8.953 3.024) 9.927 34.712 ( -10.138 7.430 -8.838) 15.365 34.819 ( -7.721 -3.234 -11.341) 14.096 ======================= Grid point 37 (18/30) ======================= q-point: ( 0.40 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 61 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.041 ( 13.160 6.113 12.338) 19.047 2.186 ( 0.827 -4.844 6.568) 8.203 2.349 ( 10.796 0.470 6.807) 12.772 2.446 ( 6.919 -8.027 2.962) 11.004 2.537 ( 10.061 6.675 17.811) 21.517 2.627 ( -0.669 -2.711 5.564) 6.225 2.697 ( 2.988 -0.235 4.602) 5.491 2.765 ( 0.790 -3.830 6.073) 7.223 2.872 ( -5.243 2.955 3.005) 6.728 2.905 ( -3.618 0.582 5.035) 6.227 3.015 ( -1.272 -0.441 16.673) 16.727 3.070 ( -4.174 -4.193 15.501) 16.591 3.170 ( 6.089 6.989 10.052) 13.674 3.227 ( 0.469 4.062 17.807) 18.270 3.292 ( 2.901 -5.518 10.551) 12.255 3.370 ( -5.060 -5.163 15.334) 16.952 3.504 ( 5.602 1.643 11.405) 12.813 3.546 ( 3.305 -0.048 11.714) 12.171 3.602 ( -2.883 1.100 7.429) 8.045 3.666 ( -5.269 -3.245 7.835) 9.984 3.754 ( 4.357 4.475 2.520) 6.735 3.775 ( 6.115 0.782 4.983) 7.927 3.800 ( -0.691 4.472 4.673) 6.505 3.912 ( -0.544 -2.487 0.952) 2.718 3.945 ( 2.055 2.828 5.995) 6.940 4.011 ( -4.635 1.226 3.057) 5.686 4.150 ( 5.259 4.783 2.468) 7.524 4.219 ( 1.454 -1.200 2.056) 2.789 4.231 ( 1.278 -4.697 1.271) 5.031 4.284 ( -2.847 -5.022 2.543) 6.308 4.417 ( -1.918 4.640 0.252) 5.027 4.495 ( -8.580 -0.380 0.145) 8.590 4.548 ( 4.591 2.105 1.465) 5.259 4.564 ( 4.054 3.306 3.285) 6.177 4.725 ( 4.557 2.936 -1.410) 5.602 4.782 ( 1.021 0.085 1.562) 1.868 4.830 ( 4.886 -0.371 2.507) 5.504 4.884 ( 1.102 -2.395 2.008) 3.314 4.945 ( 1.831 1.465 2.253) 3.252 5.008 ( 3.813 0.441 -2.689) 4.687 5.023 ( -1.010 -3.605 -1.991) 4.240 5.100 ( -3.412 -1.110 2.393) 4.314 5.141 ( 5.666 0.182 -0.712) 5.714 5.221 ( -0.241 -0.081 0.975) 1.007 5.224 ( -1.106 -1.651 1.224) 2.334 5.268 ( 3.882 -4.050 -1.475) 5.801 5.304 ( 1.686 -4.316 3.460) 5.783 5.334 ( -4.854 -5.810 1.499) 7.718 5.450 ( -3.821 1.580 -1.285) 4.329 5.475 ( -0.540 1.951 0.555) 2.099 5.499 ( -4.325 4.579 -0.713) 6.339 5.541 ( -0.765 0.209 -0.037) 0.794 5.601 ( -5.772 -1.341 -3.356) 6.810 5.629 ( -6.187 -0.591 -1.671) 6.436 5.803 ( 5.910 1.717 -4.294) 7.504 5.848 ( 3.352 2.709 -3.252) 5.400 5.866 ( 0.018 -4.638 -4.542) 6.492 5.955 ( -3.273 -1.907 3.643) 5.256 5.996 ( 0.811 -4.907 0.216) 4.979 6.030 ( -1.049 -4.504 3.804) 5.988 6.251 ( 3.112 5.228 -2.202) 6.470 6.308 ( 6.464 2.679 4.839) 8.508 6.360 ( -2.029 6.854 -5.814) 9.214 6.447 ( -2.890 1.364 -2.452) 4.028 6.544 ( 3.107 4.039 -1.371) 5.277 6.597 ( -1.108 2.370 -3.318) 4.226 6.636 ( 3.510 4.348 -0.980) 5.673 6.694 ( 3.543 3.575 -3.257) 5.995 6.740 ( -3.562 4.097 1.732) 5.699 6.787 ( -0.948 0.024 0.170) 0.963 6.820 ( 2.404 -4.076 2.573) 5.387 6.864 ( -4.609 -7.152 -0.209) 8.511 7.001 ( 0.880 -5.107 3.113) 6.045 7.043 ( -1.448 -4.937 -0.981) 5.237 7.143 ( 1.815 -3.424 9.083) 9.875 7.225 ( -3.682 -0.132 8.878) 9.613 7.291 ( 4.701 -5.739 1.405) 7.550 7.385 ( 1.013 -6.912 7.289) 10.096 7.437 ( 4.867 6.109 3.544) 8.577 7.487 ( 0.139 2.217 1.375) 2.612 7.589 ( -1.519 4.285 6.285) 7.757 7.604 ( -5.286 0.917 6.469) 8.404 7.724 ( -1.863 0.990 1.617) 2.658 7.767 ( -4.166 -1.362 0.970) 4.489 7.882 ( 5.502 2.901 3.969) 7.379 7.968 ( 2.088 -2.836 8.088) 8.821 8.061 ( 3.428 3.966 2.476) 5.797 8.109 ( 1.395 0.448 5.015) 5.225 8.199 ( -0.559 6.637 5.269) 8.493 8.298 ( -2.973 -1.718 9.035) 9.665 8.462 ( -5.330 4.808 3.685) 8.069 8.544 ( -8.832 -2.776 5.098) 10.569 8.867 ( 2.238 3.620 -6.188) 7.510 8.886 ( 2.978 -0.326 -1.109) 3.194 8.940 ( 3.036 -1.887 -2.890) 4.597 8.953 ( 0.315 -2.517 -4.754) 5.389 9.133 ( 2.622 2.268 3.427) 4.875 9.200 ( 3.596 -2.960 0.386) 4.674 9.279 ( -6.384 1.704 -3.065) 7.284 9.314 ( -0.840 -2.036 0.532) 2.266 9.420 ( -1.058 3.287 3.137) 4.665 9.487 ( -3.860 -2.276 -2.636) 5.199 9.577 ( 1.088 -0.794 -1.672) 2.147 9.591 ( 0.701 -1.450 -2.774) 3.208 9.717 ( 0.144 1.706 -0.173) 1.721 9.774 ( -2.831 -2.775 1.982) 4.432 9.988 ( 2.789 3.439 1.476) 4.667 10.028 ( 6.200 3.122 5.819) 9.058 10.141 ( -4.915 -4.050 2.694) 6.915 10.217 ( -9.153 -6.402 3.515) 11.710 10.602 ( 2.428 1.335 -1.047) 2.962 10.632 ( 1.107 -1.676 -2.215) 2.990 10.775 ( 2.660 3.375 0.714) 4.356 10.809 ( 1.319 2.282 -0.326) 2.656 10.859 ( 1.256 3.572 -3.357) 5.060 10.917 ( -2.017 1.090 -3.620) 4.285 11.033 ( 2.344 2.107 -1.263) 3.395 11.077 ( -2.243 -0.653 -2.877) 3.706 11.325 ( 3.499 -6.009 -5.240) 8.707 11.353 ( 1.737 -7.932 -4.831) 9.448 11.684 ( 2.891 5.426 -5.108) 7.993 11.756 ( -2.924 -0.587 -6.413) 7.073 11.832 ( -0.360 1.359 -5.643) 5.816 11.845 ( -1.169 0.040 -5.949) 6.063 11.984 ( 3.026 2.230 -4.751) 6.058 12.045 ( 0.739 -0.078 -1.651) 1.811 12.075 ( -2.582 2.116 -8.115) 8.774 12.115 ( -1.843 0.585 -2.765) 3.374 12.263 ( 4.120 -6.054 -0.071) 7.323 12.289 ( 0.811 -7.364 -2.272) 7.749 12.556 ( 5.054 0.354 7.422) 8.986 12.569 ( 5.238 -0.212 7.443) 9.104 12.700 ( 2.189 3.103 1.804) 4.204 12.731 ( 2.755 -0.305 1.864) 3.340 12.854 ( -5.068 1.725 2.189) 5.784 12.883 ( -5.770 -0.633 1.470) 5.988 12.962 ( -4.597 6.023 3.453) 8.327 13.010 ( -8.311 3.952 0.826) 9.240 13.103 ( -2.355 -1.653 -0.055) 2.878 13.152 ( -6.443 -3.076 -4.012) 8.190 13.731 ( 3.822 0.626 -5.961) 7.109 13.749 ( 3.291 -0.988 -6.471) 7.326 13.795 ( -0.760 0.556 -5.429) 5.510 13.804 ( -0.705 -0.299 -5.914) 5.963 14.155 ( 9.028 1.815 0.583) 9.227 14.212 ( 5.649 -3.540 0.294) 6.673 14.350 ( -6.027 1.244 -0.446) 6.170 14.368 ( -7.032 -0.552 -0.726) 7.091 14.594 ( -0.274 1.242 -0.266) 1.299 14.607 ( -1.467 0.172 -0.095) 1.480 14.982 ( 2.261 -0.205 -1.801) 2.898 14.992 ( 1.560 -0.941 -1.599) 2.424 15.040 ( 1.974 0.461 -6.100) 6.428 15.057 ( 1.744 -1.111 -5.213) 5.608 15.109 ( -4.131 0.686 -6.423) 7.668 15.126 ( -4.842 -0.938 -6.850) 8.441 16.034 ( 0.483 0.065 -2.223) 2.276 16.043 ( -0.229 -0.814 -2.076) 2.242 16.116 ( -0.016 1.596 -0.848) 1.808 16.134 ( -1.323 0.345 -1.021) 1.706 16.258 ( 3.466 1.056 1.867) 4.076 16.278 ( 2.449 -0.165 -0.270) 2.469 16.291 ( 2.103 0.553 -0.769) 2.306 16.315 ( 3.119 -1.314 -1.497) 3.701 16.359 ( -2.348 1.164 1.301) 2.926 16.374 ( 0.166 0.124 -2.173) 2.183 16.413 ( -3.355 -0.369 2.024) 3.936 16.433 ( -4.405 -1.907 -0.839) 4.873 16.834 ( 1.058 1.023 0.821) 1.685 16.858 ( -0.505 -1.099 -1.479) 1.911 16.926 ( 3.264 0.774 2.454) 4.156 16.942 ( 3.372 -0.658 1.311) 3.677 17.053 ( -8.734 1.489 4.855) 10.103 17.084 ( -10.049 -1.241 5.251) 11.406 17.687 ( 0.984 -0.965 -0.384) 1.431 17.694 ( 0.414 -1.410 -0.962) 1.757 17.844 ( -0.135 1.866 -1.769) 2.574 17.881 ( -3.345 -1.384 -2.763) 4.554 17.993 ( 0.073 2.938 -0.156) 2.943 18.051 ( -3.624 -1.245 -1.845) 4.253 18.094 ( -0.885 1.077 -0.027) 1.394 18.150 ( -4.553 -2.557 0.332) 5.232 18.188 ( 3.825 1.141 -4.440) 5.971 18.227 ( 2.366 -2.076 -5.052) 5.952 18.317 ( -2.508 2.535 -5.012) 6.151 18.361 ( -4.527 -1.565 -4.170) 6.351 18.592 ( 1.397 1.666 -3.578) 4.187 18.611 ( -0.256 -0.018 -3.696) 3.705 18.869 ( 4.907 0.302 -0.503) 4.942 18.881 ( 4.759 -0.868 -1.145) 4.971 18.930 ( 1.278 0.804 -2.150) 2.627 18.943 ( 0.962 -0.434 -2.815) 3.006 26.136 ( 1.001 1.495 0.388) 1.841 26.155 ( -0.714 -0.155 0.062) 0.734 26.249 ( 0.231 -0.372 -0.249) 0.503 26.250 ( 0.146 -0.430 -0.255) 0.521 27.471 ( 1.845 1.084 0.621) 2.229 27.490 ( 1.127 0.246 0.200) 1.171 27.508 ( 1.181 1.013 -0.185) 1.567 27.553 ( -1.839 -2.115 -0.920) 2.950 28.023 ( 0.476 0.092 -0.272) 0.556 28.025 ( 0.318 -0.058 -0.576) 0.661 28.136 ( 0.255 0.206 -0.487) 0.587 28.141 ( -0.317 -0.285 -0.396) 0.582 28.794 ( 6.389 0.271 -0.097) 6.396 28.802 ( 5.854 -0.446 -0.304) 5.879 28.845 ( 1.422 0.348 -1.419) 2.039 28.853 ( 0.779 -0.402 -1.321) 1.585 28.963 ( 2.952 1.938 1.099) 3.698 29.004 ( 2.039 -1.713 1.063) 2.867 29.094 ( -2.293 2.514 2.026) 3.960 29.153 ( -5.473 -2.703 1.128) 6.207 29.469 ( 4.851 2.946 4.160) 7.037 29.542 ( 3.349 -3.788 2.828) 5.794 29.654 ( -7.753 2.125 1.664) 8.209 29.692 ( -8.429 -1.385 1.391) 8.654 30.763 ( 6.472 0.415 -8.838) 10.963 30.767 ( 6.023 0.128 -7.822) 9.873 31.482 ( -0.710 1.518 5.744) 5.983 31.498 ( -1.985 0.405 4.493) 4.929 31.585 ( 4.098 -0.388 0.911) 4.216 31.636 ( -0.290 -4.622 1.124) 4.766 31.784 ( 4.252 1.439 -4.328) 6.235 31.802 ( 2.676 -0.301 -4.991) 5.671 31.991 ( 0.516 1.626 -0.757) 1.866 32.016 ( -1.650 0.566 -0.826) 1.931 32.115 ( 2.120 1.447 -1.121) 2.801 32.170 ( -2.523 -1.960 -3.418) 4.679 32.640 ( 4.833 7.799 -8.465) 12.484 32.769 ( -6.284 2.146 -13.658) 15.187 32.830 ( 0.152 -6.925 -7.218) 10.004 32.877 ( -3.601 -5.098 -10.462) 12.183 33.544 ( 0.283 0.494 1.103) 1.241 33.557 ( -0.906 -0.711 0.816) 1.412 34.056 ( 0.733 2.511 2.346) 3.514 34.083 ( -0.069 -0.629 5.107) 5.146 34.092 ( 1.193 2.139 -0.270) 2.464 34.173 ( -3.932 -4.818 1.182) 6.330 34.563 ( -1.895 4.747 -6.979) 8.650 34.640 ( -7.784 -2.509 -8.856) 12.055 ======================= Grid point 45 (19/30) ======================= q-point: ( 0.00 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 24 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.897 ( 0.000 0.000 28.946) 28.946 2.075 ( 0.000 0.000 32.603) 32.603 2.294 ( 0.000 0.000 4.258) 4.258 2.377 ( 0.000 0.000 2.916) 2.916 2.475 ( 0.000 0.000 1.737) 1.737 2.484 ( 0.000 0.000 3.682) 3.682 2.662 ( 0.000 0.000 0.809) 0.809 2.786 ( 0.000 0.000 -7.774) 7.774 2.869 ( 0.000 0.000 -9.292) 9.292 2.982 ( 0.000 0.000 -1.512) 1.512 3.171 ( 0.000 0.000 8.052) 8.052 3.211 ( 0.000 0.000 11.208) 11.208 3.438 ( 0.000 0.000 5.743) 5.743 3.462 ( 0.000 0.000 16.452) 16.452 3.468 ( 0.000 0.000 17.796) 17.796 3.519 ( 0.000 0.000 18.352) 18.352 3.657 ( 0.000 0.000 -4.935) 4.935 3.665 ( 0.000 0.000 10.412) 10.412 3.749 ( 0.000 0.000 9.560) 9.560 3.764 ( 0.000 0.000 2.354) 2.354 3.850 ( 0.000 0.000 4.006) 4.006 3.856 ( 0.000 0.000 -12.611) 12.611 3.905 ( 0.000 0.000 -5.759) 5.759 3.931 ( 0.000 0.000 -4.814) 4.814 4.036 ( 0.000 0.000 -8.986) 8.986 4.069 ( 0.000 0.000 17.419) 17.419 4.106 ( 0.000 0.000 0.453) 0.453 4.223 ( 0.000 0.000 2.731) 2.731 4.271 ( 0.000 0.000 3.988) 3.988 4.274 ( 0.000 0.000 -4.884) 4.884 4.286 ( 0.000 0.000 1.263) 1.263 4.365 ( 0.000 0.000 0.033) 0.033 4.469 ( 0.000 0.000 5.429) 5.429 4.560 ( 0.000 0.000 0.469) 0.469 4.578 ( 0.000 0.000 -5.492) 5.492 4.858 ( 0.000 0.000 -4.499) 4.499 4.869 ( 0.000 0.000 9.187) 9.187 4.880 ( 0.000 0.000 1.265) 1.265 4.897 ( 0.000 0.000 9.234) 9.234 5.006 ( 0.000 0.000 1.321) 1.321 5.020 ( 0.000 0.000 -8.101) 8.101 5.190 ( 0.000 0.000 7.701) 7.701 5.205 ( 0.000 0.000 4.208) 4.208 5.266 ( 0.000 0.000 -4.741) 4.741 5.357 ( 0.000 0.000 2.227) 2.227 5.357 ( 0.000 0.000 -12.486) 12.486 5.388 ( 0.000 0.000 -1.903) 1.903 5.394 ( 0.000 0.000 -6.249) 6.249 5.452 ( 0.000 0.000 -0.009) 0.009 5.483 ( 0.000 0.000 -2.518) 2.518 5.491 ( 0.000 0.000 -1.440) 1.440 5.532 ( 0.000 0.000 -0.066) 0.066 5.566 ( 0.000 0.000 -10.914) 10.914 5.577 ( 0.000 0.000 2.384) 2.384 5.795 ( 0.000 0.000 -3.709) 3.709 5.822 ( 0.000 0.000 -0.996) 0.996 5.849 ( 0.000 0.000 15.733) 15.733 5.851 ( 0.000 0.000 -5.601) 5.601 5.863 ( 0.000 0.000 2.037) 2.037 6.138 ( 0.000 0.000 -3.697) 3.697 6.311 ( 0.000 0.000 -5.374) 5.374 6.342 ( 0.000 0.000 -6.923) 6.923 6.402 ( 0.000 0.000 19.062) 19.062 6.403 ( 0.000 0.000 -6.544) 6.544 6.492 ( 0.000 0.000 5.202) 5.202 6.518 ( 0.000 0.000 15.650) 15.650 6.528 ( 0.000 0.000 7.203) 7.203 6.596 ( 0.000 0.000 4.859) 4.859 6.791 ( 0.000 0.000 -8.306) 8.306 6.805 ( 0.000 0.000 0.654) 0.654 6.812 ( 0.000 0.000 -2.991) 2.991 6.827 ( 0.000 0.000 2.987) 2.987 6.945 ( 0.000 0.000 -0.230) 0.230 7.011 ( 0.000 0.000 -1.119) 1.119 7.108 ( 0.000 0.000 -5.912) 5.912 7.251 ( 0.000 0.000 0.573) 0.573 7.316 ( 0.000 0.000 -9.868) 9.868 7.328 ( 0.000 0.000 0.456) 0.456 7.406 ( 0.000 0.000 4.619) 4.619 7.564 ( 0.000 0.000 10.464) 10.464 7.658 ( 0.000 0.000 -0.137) 0.137 7.687 ( 0.000 0.000 10.185) 10.185 7.760 ( 0.000 0.000 2.191) 2.191 7.817 ( 0.000 0.000 5.278) 5.278 7.934 ( 0.000 0.000 -7.878) 7.878 8.058 ( 0.000 0.000 3.500) 3.500 8.092 ( 0.000 0.000 7.696) 7.696 8.223 ( 0.000 0.000 -10.927) 10.927 8.282 ( 0.000 0.000 1.958) 1.958 8.381 ( 0.000 0.000 1.928) 1.928 8.395 ( 0.000 0.000 -0.394) 0.394 8.454 ( 0.000 0.000 0.017) 0.017 8.817 ( 0.000 0.000 6.427) 6.427 8.891 ( 0.000 0.000 10.471) 10.471 8.926 ( 0.000 0.000 19.761) 19.761 9.176 ( 0.000 0.000 11.619) 11.619 9.306 ( 0.000 0.000 0.686) 0.686 9.387 ( 0.000 0.000 -7.265) 7.265 9.391 ( 0.000 0.000 -7.380) 7.380 9.471 ( 0.000 0.000 -1.793) 1.793 9.599 ( 0.000 0.000 11.429) 11.429 9.605 ( 0.000 0.000 2.177) 2.177 9.619 ( 0.000 0.000 -2.495) 2.495 9.736 ( 0.000 0.000 -0.118) 0.118 9.912 ( 0.000 0.000 5.306) 5.306 9.997 ( 0.000 0.000 2.423) 2.423 10.081 ( 0.000 0.000 2.133) 2.133 10.139 ( 0.000 0.000 9.830) 9.830 10.144 ( 0.000 0.000 4.553) 4.553 10.392 ( 0.000 0.000 11.025) 11.025 10.557 ( 0.000 0.000 1.111) 1.111 10.572 ( 0.000 0.000 10.346) 10.346 10.668 ( 0.000 0.000 2.923) 2.923 10.720 ( 0.000 0.000 -0.475) 0.475 10.748 ( 0.000 0.000 1.792) 1.792 10.977 ( 0.000 0.000 -2.148) 2.148 10.990 ( 0.000 0.000 -11.170) 11.170 11.002 ( 0.000 0.000 3.701) 3.701 11.107 ( 0.000 0.000 -4.658) 4.658 11.135 ( 0.000 0.000 3.501) 3.501 11.424 ( 0.000 0.000 -24.783) 24.783 11.547 ( 0.000 0.000 -9.822) 9.822 11.582 ( 0.000 0.000 -20.575) 20.575 11.653 ( 0.000 0.000 -10.744) 10.744 11.845 ( 0.000 0.000 0.064) 0.064 11.905 ( 0.000 0.000 -2.906) 2.906 11.968 ( 0.000 0.000 -4.663) 4.663 12.107 ( 0.000 0.000 -12.339) 12.339 12.206 ( 0.000 0.000 1.320) 1.320 12.316 ( 0.000 0.000 -4.212) 4.212 12.401 ( 0.000 0.000 3.797) 3.797 12.428 ( 0.000 0.000 -0.310) 0.310 12.762 ( 0.000 0.000 16.599) 16.599 12.802 ( 0.000 0.000 12.924) 12.924 13.191 ( 0.000 0.000 2.083) 2.083 13.228 ( 0.000 0.000 -0.514) 0.514 13.252 ( 0.000 0.000 9.171) 9.171 13.278 ( 0.000 0.000 0.132) 0.132 13.326 ( 0.000 0.000 -8.023) 8.023 13.352 ( 0.000 0.000 -1.091) 1.091 13.428 ( 0.000 0.000 -10.127) 10.127 13.528 ( 0.000 0.000 6.531) 6.531 13.648 ( 0.000 0.000 -8.737) 8.737 13.755 ( 0.000 0.000 -4.828) 4.828 13.822 ( 0.000 0.000 4.346) 4.346 13.951 ( 0.000 0.000 -2.565) 2.565 14.205 ( 0.000 0.000 -11.130) 11.130 14.301 ( 0.000 0.000 -13.568) 13.568 14.675 ( 0.000 0.000 -0.519) 0.519 14.701 ( 0.000 0.000 -1.147) 1.147 14.808 ( 0.000 0.000 -0.715) 0.715 14.811 ( 0.000 0.000 -1.565) 1.565 15.046 ( 0.000 0.000 0.594) 0.594 15.056 ( 0.000 0.000 1.501) 1.501 15.118 ( 0.000 0.000 -3.359) 3.359 15.190 ( 0.000 0.000 -5.101) 5.101 15.969 ( 0.000 0.000 -1.074) 1.074 16.000 ( 0.000 0.000 -1.942) 1.942 16.150 ( 0.000 0.000 2.220) 2.220 16.192 ( 0.000 0.000 -0.182) 0.182 16.194 ( 0.000 0.000 -0.707) 0.707 16.232 ( 0.000 0.000 -1.441) 1.441 16.245 ( 0.000 0.000 2.938) 2.938 16.274 ( 0.000 0.000 1.596) 1.596 16.279 ( 0.000 0.000 1.176) 1.176 16.359 ( 0.000 0.000 -2.603) 2.603 16.586 ( 0.000 0.000 1.606) 1.606 16.671 ( 0.000 0.000 -2.966) 2.966 16.893 ( 0.000 0.000 5.131) 5.131 16.919 ( 0.000 0.000 0.019) 0.019 16.924 ( 0.000 0.000 13.437) 13.437 16.994 ( 0.000 0.000 6.195) 6.195 17.519 ( 0.000 0.000 2.547) 2.547 17.563 ( 0.000 0.000 -8.022) 8.022 17.569 ( 0.000 0.000 -14.181) 14.181 17.578 ( 0.000 0.000 -0.863) 0.863 17.715 ( 0.000 0.000 0.614) 0.614 17.765 ( 0.000 0.000 -0.372) 0.372 18.014 ( 0.000 0.000 -8.221) 8.221 18.124 ( 0.000 0.000 -0.539) 0.539 18.125 ( 0.000 0.000 -11.518) 11.518 18.198 ( 0.000 0.000 -5.115) 5.115 18.199 ( 0.000 0.000 1.046) 1.046 18.245 ( 0.000 0.000 2.720) 2.720 18.456 ( 0.000 0.000 1.334) 1.334 18.472 ( 0.000 0.000 -0.038) 0.038 18.477 ( 0.000 0.000 0.453) 0.453 18.497 ( 0.000 0.000 -3.902) 3.902 18.636 ( 0.000 0.000 1.113) 1.113 18.653 ( 0.000 0.000 2.108) 2.108 18.722 ( 0.000 0.000 -3.708) 3.708 18.740 ( 0.000 0.000 -2.465) 2.465 26.094 ( 0.000 0.000 1.591) 1.591 26.155 ( 0.000 0.000 -1.252) 1.252 26.234 ( 0.000 0.000 0.738) 0.738 26.251 ( 0.000 0.000 -0.109) 0.109 27.419 ( 0.000 0.000 0.922) 0.922 27.440 ( 0.000 0.000 1.976) 1.976 27.447 ( 0.000 0.000 -0.509) 0.509 27.550 ( 0.000 0.000 -3.226) 3.226 27.977 ( 0.000 0.000 -0.974) 0.974 27.978 ( 0.000 0.000 -0.530) 0.530 28.147 ( 0.000 0.000 1.477) 1.477 28.178 ( 0.000 0.000 0.073) 0.073 28.590 ( 0.000 0.000 1.326) 1.326 28.612 ( 0.000 0.000 0.543) 0.543 28.646 ( 0.000 0.000 -1.043) 1.043 28.662 ( 0.000 0.000 -2.038) 2.038 28.909 ( 0.000 0.000 0.616) 0.616 28.956 ( 0.000 0.000 -1.044) 1.044 29.120 ( 0.000 0.000 3.474) 3.474 29.285 ( 0.000 0.000 -3.987) 3.987 29.627 ( 0.000 0.000 5.544) 5.544 29.671 ( 0.000 0.000 5.547) 5.547 29.738 ( 0.000 0.000 0.558) 0.558 29.989 ( 0.000 0.000 -9.310) 9.310 30.336 ( 0.000 0.000 -0.039) 0.039 30.345 ( 0.000 0.000 -0.564) 0.564 31.457 ( 0.000 0.000 4.580) 4.580 31.499 ( 0.000 0.000 2.990) 2.990 31.602 ( 0.000 0.000 -1.669) 1.669 31.609 ( 0.000 0.000 -0.025) 0.025 31.721 ( 0.000 0.000 -0.281) 0.281 31.789 ( 0.000 0.000 10.306) 10.306 31.952 ( 0.000 0.000 -0.597) 0.597 31.956 ( 0.000 0.000 -1.359) 1.359 32.050 ( 0.000 0.000 -7.825) 7.825 32.219 ( 0.000 0.000 -0.639) 0.639 32.489 ( 0.000 0.000 4.143) 4.143 32.715 ( 0.000 0.000 -8.031) 8.031 32.755 ( 0.000 0.000 -9.896) 9.896 32.836 ( 0.000 0.000 -8.034) 8.034 33.578 ( 0.000 0.000 1.798) 1.798 33.613 ( 0.000 0.000 0.025) 0.025 33.947 ( 0.000 0.000 -0.471) 0.471 33.997 ( 0.000 0.000 -3.115) 3.115 34.231 ( 0.000 0.000 4.279) 4.279 34.411 ( 0.000 0.000 1.808) 1.808 34.532 ( 0.000 0.000 -11.528) 11.528 34.679 ( 0.000 0.000 -10.992) 10.992 ======================= Grid point 46 (20/30) ======================= q-point: ( 0.20 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 40 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.166 ( 6.775 0.000 25.755) 26.631 2.226 ( 19.182 0.000 15.406) 24.602 2.309 ( 4.813 0.000 9.186) 10.370 2.449 ( 8.647 0.000 10.245) 13.407 2.452 ( 4.471 0.000 -0.944) 4.569 2.591 ( 4.608 0.000 0.914) 4.698 2.714 ( 4.777 0.000 1.648) 5.053 2.867 ( -0.331 0.000 -6.344) 6.353 2.941 ( 10.686 0.000 -0.818) 10.717 3.000 ( 0.559 0.000 -0.490) 0.743 3.149 ( -4.197 0.000 5.761) 7.128 3.297 ( 8.456 0.000 7.669) 11.415 3.389 ( -0.393 0.000 11.182) 11.189 3.511 ( 3.416 0.000 17.661) 17.988 3.520 ( 1.622 0.000 1.606) 2.283 3.559 ( 3.272 0.000 17.457) 17.760 3.610 ( -2.799 0.000 12.383) 12.696 3.681 ( 1.125 0.000 -4.221) 4.368 3.700 ( -2.173 0.000 3.611) 4.214 3.780 ( -4.508 0.000 0.190) 4.512 3.787 ( 0.448 0.000 4.112) 4.136 3.809 ( 0.338 0.000 0.318) 0.464 3.894 ( -1.410 0.000 0.775) 1.609 3.973 ( 0.660 0.000 -3.322) 3.387 4.039 ( 1.503 0.000 0.711) 1.663 4.075 ( -0.810 0.000 9.405) 9.440 4.079 ( -1.601 0.000 0.565) 1.698 4.219 ( -0.060 0.000 10.282) 10.282 4.295 ( -0.730 0.000 -7.045) 7.083 4.322 ( 3.400 0.000 -2.255) 4.080 4.337 ( 5.767 0.000 -1.436) 5.943 4.423 ( 4.905 0.000 -2.181) 5.368 4.467 ( -4.231 0.000 2.221) 4.779 4.541 ( 5.398 0.000 1.394) 5.575 4.607 ( 4.452 0.000 1.134) 4.594 4.791 ( -5.798 0.000 1.309) 5.944 4.887 ( -7.306 0.000 -3.798) 8.234 4.901 ( 0.910 0.000 0.197) 0.931 4.960 ( 2.267 0.000 7.024) 7.381 5.017 ( 7.003 0.000 0.396) 7.015 5.029 ( 1.326 0.000 0.049) 1.327 5.094 ( -3.477 0.000 -1.029) 3.626 5.155 ( -13.817 0.000 -0.808) 13.840 5.220 ( -5.089 0.000 -9.070) 10.400 5.283 ( 2.029 0.000 -2.296) 3.064 5.321 ( -5.042 0.000 4.333) 6.648 5.342 ( 0.327 0.000 -11.026) 11.031 5.389 ( -1.343 0.000 -2.655) 2.975 5.434 ( -1.089 0.000 -2.997) 3.189 5.503 ( 5.918 0.000 0.168) 5.920 5.523 ( -0.307 0.000 -0.878) 0.930 5.555 ( 4.989 0.000 4.110) 6.464 5.557 ( 2.886 0.000 -4.100) 5.014 5.679 ( 1.381 0.000 4.154) 4.378 5.769 ( -0.717 0.000 -5.956) 5.999 5.779 ( -3.474 0.000 15.765) 16.144 5.837 ( -0.155 0.000 -5.404) 5.406 5.908 ( 0.709 0.000 -2.562) 2.659 6.031 ( 8.934 0.000 2.809) 9.366 6.144 ( 0.890 0.000 -6.211) 6.275 6.250 ( -5.631 0.000 -3.120) 6.437 6.314 ( 1.942 0.000 -5.864) 6.177 6.323 ( -8.313 0.000 0.515) 8.329 6.395 ( 0.655 0.000 10.763) 10.783 6.444 ( 0.961 0.000 -2.291) 2.485 6.551 ( 1.375 0.000 2.548) 2.895 6.572 ( 2.129 0.000 6.680) 7.011 6.674 ( -9.801 0.000 8.901) 13.240 6.679 ( 0.823 0.000 7.118) 7.166 6.754 ( -1.775 0.000 -3.809) 4.202 6.759 ( 6.383 0.000 -2.155) 6.737 6.934 ( 5.489 0.000 3.532) 6.527 7.009 ( 2.856 0.000 3.493) 4.511 7.076 ( 4.992 0.000 -8.616) 9.958 7.253 ( 12.773 0.000 -5.434) 13.880 7.282 ( 0.808 0.000 6.422) 6.473 7.411 ( 9.471 0.000 -0.886) 9.512 7.420 ( 4.815 0.000 -2.438) 5.397 7.464 ( 3.249 0.000 1.013) 3.404 7.516 ( -6.331 0.000 4.887) 7.998 7.634 ( 4.496 0.000 7.460) 8.710 7.666 ( -5.101 0.000 5.237) 7.311 7.744 ( 4.353 0.000 9.201) 10.179 7.918 ( 0.844 0.000 -3.653) 3.749 7.985 ( 11.246 0.000 3.986) 11.931 8.026 ( -5.648 0.000 2.955) 6.374 8.033 ( -3.585 0.000 6.930) 7.803 8.112 ( -5.640 0.000 1.824) 5.928 8.340 ( -4.258 0.000 4.587) 6.259 8.471 ( 10.265 0.000 -1.828) 10.427 8.477 ( 0.762 0.000 0.707) 1.040 8.562 ( 10.566 0.000 -11.330) 15.493 8.757 ( -2.270 0.000 6.534) 6.917 8.825 ( -3.478 0.000 9.508) 10.124 9.022 ( 4.779 0.000 15.085) 15.824 9.074 ( -11.308 0.000 7.932) 13.813 9.258 ( -1.811 0.000 1.174) 2.159 9.274 ( -6.251 0.000 -1.289) 6.382 9.319 ( -5.294 0.000 -5.903) 7.929 9.385 ( -11.928 0.000 3.705) 12.490 9.441 ( -2.225 0.000 -6.553) 6.920 9.489 ( -8.388 0.000 -5.803) 10.200 9.690 ( 1.828 0.000 8.263) 8.463 9.697 ( -4.054 0.000 3.499) 5.355 9.930 ( -8.809 0.000 11.127) 14.192 9.973 ( -0.535 0.000 3.308) 3.351 9.990 ( -3.605 0.000 -3.360) 4.928 10.069 ( -0.759 0.000 12.686) 12.708 10.219 ( 4.945 0.000 9.837) 11.010 10.455 ( 0.086 0.000 -1.886) 1.888 10.592 ( 4.130 0.000 3.007) 5.109 10.595 ( 3.595 0.000 -0.097) 3.597 10.682 ( -2.061 0.000 -1.135) 2.353 10.716 ( 1.620 0.000 4.380) 4.670 10.782 ( 3.203 0.000 -0.319) 3.219 10.851 ( -5.824 0.000 -4.201) 7.181 10.998 ( -1.558 0.000 1.454) 2.131 11.087 ( 1.910 0.000 -1.802) 2.626 11.166 ( 4.939 0.000 -0.198) 4.943 11.177 ( 5.357 0.000 -5.285) 7.525 11.460 ( 3.193 0.000 -20.603) 20.849 11.505 ( -3.129 0.000 -10.320) 10.783 11.579 ( -0.433 0.000 -19.300) 19.305 11.644 ( -2.498 0.000 -13.302) 13.534 11.904 ( 4.141 0.000 0.184) 4.145 11.957 ( 1.945 0.000 -0.973) 2.174 11.981 ( 3.614 0.000 -4.823) 6.027 11.998 ( -2.663 0.000 -5.518) 6.127 12.330 ( 5.476 0.000 -1.105) 5.587 12.332 ( 1.056 0.000 -1.958) 2.225 12.429 ( 3.936 0.000 1.836) 4.344 12.450 ( 3.188 0.000 -1.193) 3.404 12.777 ( 1.623 0.000 14.621) 14.711 12.833 ( 2.344 0.000 13.910) 14.106 13.074 ( -9.330 0.000 1.961) 9.534 13.124 ( -9.205 0.000 3.097) 9.712 13.151 ( -5.442 0.000 5.227) 7.546 13.166 ( -9.100 0.000 0.224) 9.103 13.270 ( -7.738 0.000 -2.814) 8.234 13.329 ( -7.801 0.000 1.345) 7.916 13.461 ( 5.851 0.000 -10.381) 11.916 13.511 ( 2.797 0.000 -3.703) 4.640 13.644 ( -0.083 0.000 -8.905) 8.906 13.714 ( -2.927 0.000 -6.817) 7.419 13.957 ( 9.606 0.000 4.486) 10.602 14.077 ( 9.159 0.000 -1.115) 9.227 14.266 ( 4.158 0.000 -7.678) 8.732 14.326 ( 1.356 0.000 -10.828) 10.913 14.608 ( -3.707 0.000 0.186) 3.712 14.644 ( -3.356 0.000 -1.131) 3.541 14.881 ( 4.215 0.000 -1.828) 4.594 14.885 ( 4.941 0.000 -1.324) 5.116 15.005 ( -3.712 0.000 0.857) 3.810 15.030 ( -1.578 0.000 -0.048) 1.579 15.084 ( -3.052 0.000 -3.234) 4.446 15.128 ( -5.299 0.000 -5.102) 7.356 15.977 ( 0.660 0.000 -1.242) 1.406 16.008 ( 0.565 0.000 -2.201) 2.273 16.112 ( -2.607 0.000 -0.031) 2.607 16.144 ( -3.041 0.000 -1.266) 3.293 16.222 ( 1.752 0.000 0.872) 1.957 16.255 ( 0.921 0.000 2.295) 2.473 16.269 ( 0.610 0.000 -1.198) 1.344 16.279 ( 1.222 0.000 2.152) 2.474 16.289 ( 2.095 0.000 0.675) 2.201 16.361 ( 0.312 0.000 -1.802) 1.829 16.547 ( -3.270 0.000 1.958) 3.812 16.617 ( -4.930 0.000 -0.797) 4.994 16.861 ( -4.080 0.000 -1.432) 4.324 16.893 ( -3.248 0.000 -1.907) 3.767 16.943 ( 2.521 0.000 11.486) 11.759 16.995 ( 2.728 0.000 11.680) 11.994 17.377 ( -12.130 0.000 0.352) 12.135 17.429 ( -9.899 0.000 0.756) 9.928 17.623 ( 2.637 0.000 -2.029) 3.327 17.623 ( 1.583 0.000 -9.871) 9.997 17.729 ( 0.199 0.000 -2.547) 2.555 17.778 ( 5.290 0.000 -3.017) 6.089 17.929 ( -6.705 0.000 -8.407) 10.753 18.037 ( -4.817 0.000 -9.307) 10.480 18.104 ( -3.815 0.000 -0.627) 3.866 18.131 ( 0.587 0.000 -1.971) 2.057 18.185 ( -4.399 0.000 3.482) 5.610 18.246 ( -0.623 0.000 -1.841) 1.944 18.370 ( -5.336 0.000 2.020) 5.706 18.422 ( -3.920 0.000 -1.069) 4.063 18.499 ( 1.567 0.000 -0.023) 1.567 18.546 ( 1.838 0.000 -2.698) 3.265 18.721 ( 6.728 0.000 -0.005) 6.728 18.751 ( 7.032 0.000 1.366) 7.164 18.793 ( 5.316 0.000 -3.449) 6.337 18.821 ( 5.481 0.000 -2.213) 5.911 26.104 ( 0.954 0.000 1.332) 1.638 26.156 ( -0.075 0.000 -1.053) 1.056 26.244 ( 0.768 0.000 0.427) 0.879 26.254 ( 0.218 0.000 -0.002) 0.218 27.443 ( 2.006 0.000 0.882) 2.192 27.460 ( 1.067 0.000 -0.156) 1.078 27.462 ( 1.875 0.000 1.448) 2.369 27.555 ( 0.266 0.000 -2.758) 2.771 27.991 ( 1.158 0.000 -0.688) 1.347 27.996 ( 1.423 0.000 -0.469) 1.498 28.139 ( -0.595 0.000 1.114) 1.263 28.164 ( -1.103 0.000 0.077) 1.106 28.661 ( 6.141 0.000 1.404) 6.299 28.677 ( 5.820 0.000 0.677) 5.859 28.717 ( 5.657 0.000 -1.410) 5.830 28.739 ( 5.929 0.000 -2.215) 6.329 28.921 ( 1.183 0.000 0.838) 1.450 28.978 ( 2.213 0.000 -1.338) 2.585 29.108 ( -0.855 0.000 3.115) 3.230 29.251 ( -3.051 0.000 -3.122) 4.366 29.593 ( -3.000 0.000 5.883) 6.604 29.655 ( -1.117 0.000 4.190) 4.337 29.712 ( -2.576 0.000 0.214) 2.585 29.872 ( -8.343 0.000 -4.742) 9.596 30.440 ( 7.996 0.000 -2.347) 8.333 30.468 ( 9.372 0.000 -3.753) 10.096 31.510 ( 4.861 0.000 3.748) 6.138 31.545 ( 3.842 0.000 2.041) 4.350 31.583 ( -0.683 0.000 1.926) 2.043 31.654 ( 3.074 0.000 -2.497) 3.961 31.736 ( 0.978 0.000 0.030) 0.978 31.760 ( -2.506 0.000 9.924) 10.235 31.948 ( -0.733 0.000 -1.366) 1.550 31.954 ( 0.047 0.000 -1.060) 1.061 32.056 ( 0.609 0.000 -8.644) 8.666 32.182 ( -3.340 0.000 -1.842) 3.814 32.470 ( -1.485 0.000 3.214) 3.540 32.656 ( -5.068 0.000 -7.927) 9.409 32.744 ( -1.049 0.000 -8.591) 8.655 32.816 ( -1.850 0.000 -7.895) 8.109 33.567 ( -0.884 0.000 1.402) 1.657 33.597 ( -1.361 0.000 -0.152) 1.370 33.966 ( 1.867 0.000 -0.105) 1.870 34.021 ( 2.202 0.000 -2.686) 3.473 34.203 ( -2.271 0.000 3.868) 4.485 34.392 ( -1.412 0.000 0.685) 1.569 34.435 ( -8.088 0.000 -7.593) 11.094 34.619 ( -5.459 0.000 -10.202) 11.571 ======================= Grid point 47 (21/30) ======================= q-point: ( 0.40 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 40 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.277 ( 4.039 0.000 10.033) 10.815 2.328 ( -0.606 0.000 4.620) 4.659 2.534 ( 4.099 0.000 -1.561) 4.386 2.536 ( 13.830 0.000 13.739) 19.494 2.587 ( -0.932 0.000 -2.937) 3.082 2.785 ( -5.583 0.000 7.026) 8.974 2.820 ( 4.631 0.000 1.637) 4.911 2.919 ( -2.345 0.000 6.902) 7.289 2.994 ( 10.326 0.000 12.693) 16.362 3.050 ( 0.243 0.000 7.158) 7.162 3.110 ( 7.080 0.000 -2.019) 7.362 3.384 ( -8.658 0.000 0.497) 8.672 3.434 ( 3.766 0.000 9.270) 10.006 3.464 ( -0.580 0.000 20.097) 20.106 3.552 ( 2.056 0.000 3.879) 4.390 3.623 ( -2.752 0.000 0.636) 2.825 3.655 ( 5.521 0.000 11.528) 12.782 3.711 ( 3.084 0.000 1.251) 3.328 3.733 ( 3.297 0.000 3.038) 4.483 3.776 ( 7.870 0.000 11.066) 13.579 3.833 ( 0.296 0.000 7.041) 7.047 3.852 ( 4.618 0.000 5.018) 6.819 3.887 ( 0.306 0.000 6.048) 6.055 3.944 ( -3.492 0.000 3.555) 4.983 3.995 ( -3.115 0.000 2.652) 4.091 4.016 ( -3.820 0.000 4.549) 5.940 4.114 ( 3.539 0.000 -4.766) 5.936 4.210 ( -5.445 0.000 -5.209) 7.535 4.243 ( 3.509 0.000 2.021) 4.049 4.366 ( -1.917 0.000 -2.914) 3.488 4.422 ( 0.146 0.000 1.458) 1.465 4.490 ( -9.196 0.000 9.784) 13.427 4.512 ( 8.844 0.000 3.878) 9.657 4.620 ( 4.336 0.000 -6.234) 7.594 4.683 ( 6.378 0.000 -1.661) 6.590 4.732 ( -2.848 0.000 3.247) 4.319 4.816 ( 7.350 0.000 -9.060) 11.666 4.839 ( -3.207 0.000 -2.213) 3.896 4.907 ( -7.441 0.000 -1.814) 7.659 5.000 ( 0.209 0.000 -2.457) 2.466 5.004 ( -2.413 0.000 -7.981) 8.338 5.040 ( -5.518 0.000 -5.521) 7.806 5.108 ( -2.804 0.000 -6.288) 6.884 5.162 ( -0.638 0.000 -1.701) 1.816 5.237 ( 4.459 0.000 -1.487) 4.701 5.314 ( 1.365 0.000 0.444) 1.435 5.357 ( -2.724 0.000 -1.965) 3.359 5.407 ( -1.341 0.000 -6.553) 6.689 5.427 ( 3.026 0.000 -0.706) 3.107 5.496 ( -4.805 0.000 1.653) 5.081 5.552 ( 3.428 0.000 2.308) 4.133 5.584 ( -1.197 0.000 3.444) 3.646 5.687 ( 2.254 0.000 5.779) 6.203 5.703 ( 2.513 0.000 8.441) 8.808 5.740 ( 2.675 0.000 1.196) 2.931 5.757 ( -3.152 0.000 -6.261) 7.010 5.776 ( -0.998 0.000 4.833) 4.935 5.875 ( -3.097 0.000 -3.749) 4.863 6.138 ( 1.544 0.000 2.475) 2.917 6.143 ( -0.325 0.000 -0.337) 0.468 6.176 ( -1.683 0.000 -4.879) 5.161 6.187 ( -4.000 0.000 -3.932) 5.609 6.398 ( 3.590 0.000 -3.090) 4.736 6.442 ( -1.195 0.000 1.338) 1.794 6.485 ( 7.100 0.000 -3.615) 7.967 6.513 ( -0.773 0.000 0.368) 0.857 6.545 ( -2.968 0.000 3.800) 4.821 6.607 ( -2.474 0.000 -11.384) 11.650 6.710 ( 3.322 0.000 10.650) 11.157 6.731 ( 0.540 0.000 14.766) 14.775 6.942 ( 6.687 0.000 2.634) 7.187 7.067 ( 5.656 0.000 1.673) 5.898 7.069 ( -1.591 0.000 1.217) 2.003 7.093 ( -0.787 0.000 -2.145) 2.285 7.349 ( 5.609 0.000 7.816) 9.620 7.381 ( -0.788 0.000 9.845) 9.877 7.473 ( 5.128 0.000 -2.420) 5.670 7.492 ( -0.588 0.000 -2.413) 2.483 7.565 ( 5.774 0.000 -0.068) 5.774 7.579 ( 0.434 0.000 11.324) 11.332 7.595 ( 5.735 0.000 1.873) 6.033 7.772 ( -11.085 0.000 8.158) 13.764 7.789 ( -2.995 0.000 7.216) 7.812 7.802 ( 1.177 0.000 9.230) 9.304 7.863 ( -0.032 0.000 -4.352) 4.352 8.004 ( 1.570 0.000 0.616) 1.687 8.187 ( 9.049 0.000 7.485) 11.743 8.200 ( -0.846 0.000 6.659) 6.712 8.289 ( 9.694 0.000 10.045) 13.959 8.423 ( -11.606 0.000 2.687) 11.913 8.448 ( -1.684 0.000 -0.682) 1.817 8.668 ( -13.642 0.000 2.744) 13.915 8.724 ( 3.324 0.000 -5.935) 6.802 8.756 ( 1.361 0.000 1.649) 2.138 9.023 ( 5.990 0.000 0.356) 6.000 9.058 ( -0.975 0.000 5.438) 5.525 9.136 ( -5.403 0.000 -2.264) 5.858 9.175 ( -6.589 0.000 -2.713) 7.126 9.252 ( 1.787 0.000 2.399) 2.991 9.302 ( 5.550 0.000 -3.396) 6.507 9.353 ( -4.819 0.000 -6.689) 8.245 9.412 ( -2.893 0.000 -10.047) 10.455 9.611 ( -1.446 0.000 8.956) 9.072 9.667 ( -4.282 0.000 7.277) 8.443 9.791 ( -2.796 0.000 10.647) 11.008 9.840 ( -6.850 0.000 4.740) 8.330 9.991 ( 6.980 0.000 1.189) 7.080 10.188 ( 3.185 0.000 15.152) 15.483 10.281 ( -8.571 0.000 -6.129) 10.537 10.313 ( 2.386 0.000 4.966) 5.509 10.627 ( -2.297 0.000 4.931) 5.440 10.642 ( -3.017 0.000 2.569) 3.962 10.693 ( 3.772 0.000 -4.629) 5.971 10.733 ( 0.237 0.000 -1.041) 1.068 10.786 ( 0.010 0.000 -2.474) 2.474 10.808 ( -1.042 0.000 -0.303) 1.085 11.022 ( 4.667 0.000 -1.878) 5.031 11.098 ( -1.063 0.000 0.492) 1.171 11.261 ( 2.351 0.000 -8.904) 9.209 11.266 ( 2.456 0.000 -8.586) 8.931 11.464 ( 0.586 0.000 -10.072) 10.089 11.524 ( 0.866 0.000 -13.848) 13.875 11.544 ( -3.965 0.000 -14.874) 15.393 11.563 ( -1.030 0.000 -16.377) 16.410 11.945 ( 1.739 0.000 -1.642) 2.391 11.968 ( -0.084 0.000 -1.811) 1.813 12.064 ( 3.745 0.000 0.508) 3.779 12.075 ( 2.665 0.000 -0.316) 2.683 12.366 ( 2.662 0.000 -1.008) 2.846 12.389 ( 1.292 0.000 -1.329) 1.853 12.571 ( 7.112 0.000 -1.228) 7.217 12.574 ( 6.939 0.000 -1.959) 7.210 12.806 ( 0.035 0.000 10.867) 10.867 12.864 ( -0.274 0.000 10.358) 10.361 12.871 ( -8.040 0.000 4.093) 9.022 12.921 ( -8.446 0.000 4.246) 9.453 13.007 ( -3.248 0.000 2.932) 4.376 13.042 ( -4.709 0.000 6.287) 7.855 13.106 ( -3.939 0.000 -1.895) 4.371 13.163 ( -6.688 0.000 2.990) 7.326 13.578 ( 4.300 0.000 -10.989) 11.800 13.583 ( 3.684 0.000 -7.701) 8.537 13.635 ( -1.330 0.000 -9.924) 10.013 13.653 ( -2.927 0.000 -8.501) 8.991 14.161 ( 9.117 0.000 2.304) 9.403 14.245 ( 6.085 0.000 -0.310) 6.093 14.300 ( -3.112 0.000 -2.627) 4.073 14.321 ( -1.337 0.000 -3.587) 3.828 14.568 ( -0.072 0.000 -0.410) 0.416 14.589 ( -1.827 0.000 -0.980) 2.074 14.945 ( -0.134 0.000 -1.528) 1.534 14.948 ( 1.816 0.000 -1.971) 2.680 14.962 ( 1.115 0.000 -2.076) 2.356 15.009 ( -0.381 0.000 -1.820) 1.859 15.009 ( -3.675 0.000 -2.757) 4.594 15.016 ( -3.421 0.000 -4.352) 5.536 15.994 ( 0.941 0.000 -1.536) 1.801 16.012 ( -0.455 0.000 -2.129) 2.177 16.069 ( -0.907 0.000 -1.032) 1.374 16.085 ( -2.176 0.000 -1.630) 2.719 16.260 ( 1.480 0.000 0.279) 1.506 16.272 ( -0.012 0.000 -0.412) 0.412 16.277 ( 1.740 0.000 -0.069) 1.742 16.315 ( -0.673 0.000 -1.997) 2.108 16.341 ( 3.950 0.000 2.419) 4.632 16.378 ( 1.045 0.000 0.840) 1.340 16.477 ( -2.693 0.000 2.375) 3.590 16.497 ( -5.242 0.000 2.342) 5.741 16.799 ( -1.327 0.000 -3.139) 3.408 16.814 ( -2.740 0.000 -2.436) 3.666 17.021 ( 4.456 0.000 7.874) 9.047 17.066 ( 3.899 0.000 7.890) 8.801 17.147 ( -8.488 0.000 5.354) 10.036 17.198 ( -9.538 0.000 4.013) 10.348 17.645 ( 0.493 0.000 -6.111) 6.131 17.647 ( 0.126 0.000 -4.393) 4.395 17.764 ( 1.989 0.000 -3.274) 3.831 17.813 ( -3.485 0.000 -5.360) 6.394 17.903 ( 5.527 0.000 -4.640) 7.216 17.975 ( -2.204 0.000 -5.175) 5.625 18.067 ( 0.002 0.000 -0.914) 0.914 18.082 ( -2.955 0.000 0.071) 2.955 18.187 ( 3.024 0.000 -2.066) 3.663 18.200 ( -1.817 0.000 -1.276) 2.220 18.264 ( -3.670 0.000 2.182) 4.269 18.317 ( -5.595 0.000 -1.675) 5.841 18.540 ( 1.861 0.000 -0.319) 1.888 18.563 ( -0.196 0.000 -1.386) 1.400 18.847 ( 4.257 0.000 -1.257) 4.439 18.875 ( 3.991 0.000 -0.081) 3.992 18.876 ( 1.649 0.000 -2.553) 3.039 18.902 ( 1.528 0.000 -1.396) 2.070 26.128 ( 1.138 0.000 0.607) 1.290 26.148 ( -0.705 0.000 -0.326) 0.777 26.257 ( 0.347 0.000 0.128) 0.370 26.258 ( 0.129 0.000 0.096) 0.161 27.479 ( 0.984 0.000 1.113) 1.485 27.481 ( 0.663 0.000 0.568) 0.872 27.509 ( 2.429 0.000 -0.204) 2.437 27.548 ( -1.089 0.000 -1.600) 1.935 28.015 ( 0.908 0.000 -0.145) 0.920 28.020 ( 0.576 0.000 -0.080) 0.582 28.131 ( -0.005 0.000 0.219) 0.220 28.141 ( -0.912 0.000 -0.080) 0.916 28.797 ( 5.147 0.000 0.351) 5.159 28.805 ( 4.603 0.000 0.252) 4.610 28.816 ( 2.637 0.000 -0.914) 2.791 28.836 ( 2.056 0.000 -0.938) 2.260 28.966 ( 3.465 0.000 1.500) 3.776 29.024 ( 0.239 0.000 -0.664) 0.705 29.108 ( 1.601 0.000 1.728) 2.355 29.172 ( -3.976 0.000 -1.224) 4.160 29.542 ( -0.083 0.000 4.926) 4.927 29.621 ( -5.936 0.000 0.358) 5.947 29.651 ( 1.274 0.000 1.271) 1.800 29.718 ( -5.316 0.000 -0.509) 5.340 30.606 ( 5.943 0.000 -5.060) 7.805 30.627 ( 4.212 0.000 -5.699) 7.086 31.579 ( 0.560 0.000 5.068) 5.099 31.598 ( 0.233 0.000 4.090) 4.096 31.640 ( 6.032 0.000 3.114) 6.788 31.716 ( 1.744 0.000 -1.862) 2.551 31.726 ( 0.376 0.000 2.818) 2.843 31.734 ( -1.580 0.000 0.771) 1.758 31.933 ( -0.253 0.000 -1.773) 1.791 31.947 ( -0.902 0.000 -2.015) 2.208 32.072 ( 0.826 0.000 -8.192) 8.233 32.105 ( -3.008 0.000 -4.918) 5.765 32.458 ( 1.217 0.000 -0.306) 1.255 32.535 ( -5.637 0.000 -5.411) 7.814 32.731 ( 0.356 0.000 -7.258) 7.267 32.765 ( -2.600 0.000 -7.361) 7.807 33.554 ( -0.046 0.000 0.516) 0.518 33.567 ( -1.214 0.000 -0.166) 1.226 34.022 ( 3.132 0.000 0.516) 3.174 34.064 ( 0.428 0.000 -0.798) 0.905 34.169 ( 0.565 0.000 2.091) 2.166 34.260 ( -7.336 0.000 -1.691) 7.529 34.387 ( 1.870 0.000 -3.046) 3.574 34.482 ( -6.600 0.000 -7.453) 9.955 ======================= Grid point 50 (22/30) ======================= q-point: ( 0.00 0.33 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.006 ( 0.000 9.346 23.237) 25.046 2.057 ( 0.000 1.354 19.432) 19.479 2.219 ( 0.000 -7.946 7.940) 11.233 2.258 ( 0.000 -9.366 11.975) 15.203 2.496 ( 0.000 1.997 0.485) 2.055 2.550 ( 0.000 -1.138 0.454) 1.225 2.670 ( 0.000 3.795 1.892) 4.240 2.711 ( 0.000 -0.010 4.456) 4.456 2.857 ( 0.000 -1.252 -4.644) 4.810 2.898 ( 0.000 -5.180 3.641) 6.331 3.244 ( 0.000 3.205 -1.221) 3.430 3.264 ( 0.000 2.284 2.086) 3.093 3.369 ( 0.000 2.285 14.713) 14.889 3.467 ( 0.000 -0.471 14.161) 14.169 3.527 ( 0.000 0.612 7.575) 7.600 3.586 ( 0.000 -1.369 10.512) 10.601 3.614 ( 0.000 2.482 3.381) 4.195 3.638 ( 0.000 -1.250 9.502) 9.584 3.787 ( 0.000 -6.591 4.837) 8.176 3.796 ( 0.000 0.267 0.295) 0.398 3.866 ( 0.000 -1.209 2.197) 2.507 3.874 ( 0.000 -1.816 3.273) 3.743 3.944 ( 0.000 4.873 -6.665) 8.256 3.994 ( 0.000 0.550 1.949) 2.025 4.022 ( 0.000 7.796 -8.911) 11.840 4.067 ( 0.000 4.433 0.512) 4.463 4.077 ( 0.000 3.983 -2.630) 4.773 4.168 ( 0.000 -4.439 2.134) 4.926 4.299 ( 0.000 1.015 8.333) 8.394 4.313 ( 0.000 -0.400 16.316) 16.321 4.384 ( 0.000 6.417 2.275) 6.808 4.386 ( 0.000 5.819 -4.253) 7.207 4.511 ( 0.000 3.149 0.703) 3.226 4.622 ( 0.000 2.943 5.473) 6.214 4.710 ( 0.000 4.805 1.583) 5.059 4.760 ( 0.000 -12.067 6.677) 13.791 4.838 ( 0.000 2.615 -1.393) 2.963 4.880 ( 0.000 -0.683 -1.732) 1.862 4.883 ( 0.000 -1.849 3.540) 3.994 4.940 ( 0.000 1.879 1.806) 2.607 4.968 ( 0.000 -3.976 -3.011) 4.987 5.097 ( 0.000 -13.761 -4.102) 14.359 5.176 ( 0.000 -0.754 0.197) 0.779 5.187 ( 0.000 -0.870 0.744) 1.144 5.255 ( 0.000 -5.173 -1.624) 5.422 5.273 ( 0.000 -6.743 -2.614) 7.232 5.369 ( 0.000 1.227 -3.549) 3.755 5.407 ( 0.000 -1.414 -10.718) 10.811 5.496 ( 0.000 6.115 -1.658) 6.336 5.526 ( 0.000 0.172 0.065) 0.184 5.536 ( 0.000 -1.496 -6.859) 7.021 5.581 ( 0.000 3.590 -3.160) 4.783 5.589 ( 0.000 1.247 -2.654) 2.932 5.624 ( 0.000 1.209 1.590) 1.998 5.713 ( 0.000 0.354 -2.107) 2.137 5.779 ( 0.000 -3.946 2.519) 4.682 5.787 ( 0.000 -1.265 7.994) 8.093 5.839 ( 0.000 -2.993 -1.242) 3.241 5.907 ( 0.000 5.505 -7.796) 9.543 6.093 ( 0.000 -11.801 -7.783) 14.136 6.155 ( 0.000 5.593 12.119) 13.347 6.308 ( 0.000 -7.698 19.097) 20.590 6.430 ( 0.000 5.323 -3.853) 6.571 6.453 ( 0.000 -0.918 -1.628) 1.869 6.455 ( 0.000 -0.179 1.917) 1.925 6.530 ( 0.000 -4.857 -0.457) 4.878 6.594 ( 0.000 3.267 -5.381) 6.295 6.655 ( 0.000 -0.209 2.696) 2.704 6.671 ( 0.000 1.131 8.089) 8.168 6.782 ( 0.000 -3.731 2.397) 4.434 6.940 ( 0.000 9.000 1.759) 9.170 6.959 ( 0.000 5.877 -2.447) 6.366 7.018 ( 0.000 5.620 -5.357) 7.764 7.096 ( 0.000 9.084 2.503) 9.423 7.149 ( 0.000 -0.178 -7.158) 7.160 7.258 ( 0.000 -7.952 -3.469) 8.676 7.276 ( 0.000 0.106 -2.887) 2.889 7.277 ( 0.000 -1.600 -3.288) 3.656 7.476 ( 0.000 5.765 5.792) 8.172 7.582 ( 0.000 2.600 12.019) 12.297 7.583 ( 0.000 -4.613 5.222) 6.968 7.654 ( 0.000 -2.792 11.820) 12.145 7.797 ( 0.000 3.119 1.580) 3.497 7.834 ( 0.000 0.212 0.053) 0.219 7.984 ( 0.000 2.649 -2.354) 3.544 8.046 ( 0.000 -1.796 3.302) 3.759 8.095 ( 0.000 1.649 3.558) 3.921 8.152 ( 0.000 -4.819 -8.689) 9.936 8.261 ( 0.000 -1.688 1.829) 2.489 8.266 ( 0.000 -3.533 -0.522) 3.572 8.469 ( 0.000 1.379 -0.512) 1.471 8.489 ( 0.000 1.004 -0.555) 1.147 8.836 ( 0.000 2.281 9.521) 9.790 8.863 ( 0.000 -0.447 14.228) 14.235 9.033 ( 0.000 6.890 9.798) 11.978 9.173 ( 0.000 -4.975 4.734) 6.868 9.219 ( 0.000 0.154 4.248) 4.250 9.314 ( 0.000 -6.147 -2.467) 6.623 9.434 ( 0.000 2.081 -5.572) 5.948 9.463 ( 0.000 -1.029 -5.646) 5.739 9.586 ( 0.000 -0.362 2.793) 2.816 9.590 ( 0.000 -0.737 3.214) 3.297 9.684 ( 0.000 4.551 4.938) 6.715 9.743 ( 0.000 -0.551 1.376) 1.483 9.950 ( 0.000 3.720 4.354) 5.726 9.969 ( 0.000 -0.567 5.422) 5.451 10.018 ( 0.000 -4.604 5.763) 7.376 10.052 ( 0.000 -5.520 4.521) 7.135 10.253 ( 0.000 6.366 9.720) 11.619 10.357 ( 0.000 -3.423 10.698) 11.232 10.545 ( 0.000 -0.475 3.049) 3.086 10.554 ( 0.000 -1.251 7.358) 7.464 10.693 ( 0.000 1.564 1.522) 2.182 10.716 ( 0.000 -0.728 0.716) 1.021 10.765 ( 0.000 2.797 1.379) 3.118 10.862 ( 0.000 -6.274 1.255) 6.398 11.045 ( 0.000 1.245 2.753) 3.021 11.052 ( 0.000 2.744 -7.182) 7.688 11.102 ( 0.000 0.892 -5.200) 5.276 11.144 ( 0.000 -0.547 -5.530) 5.557 11.475 ( 0.000 4.089 -22.894) 23.257 11.553 ( 0.000 -2.937 -20.208) 20.420 11.568 ( 0.000 2.179 -11.069) 11.282 11.622 ( 0.000 -2.570 -12.296) 12.561 11.835 ( 0.000 -0.198 -3.083) 3.089 11.864 ( 0.000 -2.862 -5.243) 5.973 12.019 ( 0.000 4.482 -2.087) 4.944 12.100 ( 0.000 -1.981 -4.987) 5.367 12.240 ( 0.000 1.834 -0.287) 1.857 12.266 ( 0.000 -2.128 -2.541) 3.314 12.424 ( 0.000 -0.007 0.050) 0.051 12.425 ( 0.000 0.597 1.352) 1.478 12.771 ( 0.000 0.906 15.722) 15.748 12.793 ( 0.000 -0.931 13.711) 13.743 13.194 ( 0.000 0.394 1.469) 1.521 13.211 ( 0.000 -1.154 0.469) 1.246 13.290 ( 0.000 1.466 -0.654) 1.605 13.315 ( 0.000 -0.995 -4.310) 4.423 13.333 ( 0.000 5.412 7.942) 9.611 13.365 ( 0.000 0.988 -2.354) 2.553 13.418 ( 0.000 -0.348 -10.120) 10.126 13.479 ( 0.000 -4.364 2.776) 5.172 13.684 ( 0.000 2.821 -6.262) 6.868 13.736 ( 0.000 -1.861 -4.706) 5.061 13.847 ( 0.000 2.354 2.593) 3.502 13.909 ( 0.000 -3.329 -0.616) 3.385 14.242 ( 0.000 2.737 -12.512) 12.808 14.287 ( 0.000 -1.440 -13.615) 13.691 14.668 ( 0.000 -0.237 -0.345) 0.418 14.681 ( 0.000 -1.407 -0.635) 1.544 14.811 ( 0.000 0.214 -0.850) 0.877 14.813 ( 0.000 0.082 -1.279) 1.281 15.046 ( 0.000 0.089 0.834) 0.839 15.051 ( 0.000 -0.327 1.232) 1.275 15.139 ( 0.000 1.716 -3.741) 4.116 15.174 ( 0.000 -1.442 -4.657) 4.876 15.978 ( 0.000 0.735 -1.511) 1.680 15.993 ( 0.000 -0.639 -1.933) 2.036 16.165 ( 0.000 1.397 2.141) 2.557 16.190 ( 0.000 -0.052 -0.303) 0.307 16.194 ( 0.000 -0.088 0.183) 0.204 16.199 ( 0.000 -1.726 2.010) 2.650 16.265 ( 0.000 0.092 1.802) 1.805 16.268 ( 0.000 -0.361 1.614) 1.654 16.303 ( 0.000 2.308 -1.619) 2.820 16.344 ( 0.000 -1.483 -2.533) 2.935 16.606 ( 0.000 1.777 0.863) 1.975 16.648 ( 0.000 -2.004 -1.400) 2.445 16.894 ( 0.000 0.170 5.434) 5.437 16.902 ( 0.000 -0.673 5.785) 5.824 16.951 ( 0.000 1.572 7.050) 7.223 16.981 ( 0.000 -1.238 6.318) 6.438 17.534 ( 0.000 1.301 2.352) 2.688 17.562 ( 0.000 -1.122 0.597) 1.271 17.580 ( 0.000 1.028 -11.823) 11.868 17.583 ( 0.000 0.948 -15.841) 15.869 17.693 ( 0.000 -1.340 2.211) 2.585 17.711 ( 0.000 -3.293 3.065) 4.498 18.033 ( 0.000 1.537 -7.448) 7.605 18.071 ( 0.000 -2.195 -6.453) 6.817 18.173 ( 0.000 1.758 -3.993) 4.363 18.196 ( 0.000 -0.413 -4.271) 4.290 18.270 ( 0.000 2.429 1.147) 2.686 18.279 ( 0.000 4.797 -3.341) 5.846 18.387 ( 0.000 -2.707 3.620) 4.520 18.432 ( 0.000 -3.622 -0.198) 3.627 18.512 ( 0.000 0.825 -2.406) 2.544 18.514 ( 0.000 0.947 -0.639) 1.142 18.639 ( 0.000 0.252 1.042) 1.072 18.647 ( 0.000 -0.478 1.553) 1.625 18.720 ( 0.000 -0.017 -3.407) 3.407 18.728 ( 0.000 -0.783 -2.640) 2.754 26.126 ( 0.000 2.515 0.666) 2.601 26.157 ( 0.000 -0.200 -0.714) 0.742 26.227 ( 0.000 -0.438 0.414) 0.602 26.234 ( 0.000 -1.246 0.005) 1.246 27.423 ( 0.000 0.441 1.171) 1.252 27.434 ( 0.000 -0.477 1.671) 1.738 27.474 ( 0.000 2.314 -1.330) 2.669 27.525 ( 0.000 -2.232 -2.715) 3.515 27.978 ( 0.000 0.032 -0.799) 0.800 27.978 ( 0.000 0.018 -0.582) 0.582 28.154 ( 0.000 0.644 1.090) 1.266 28.169 ( 0.000 -0.727 0.392) 0.826 28.595 ( 0.000 0.452 1.149) 1.235 28.606 ( 0.000 -0.518 0.757) 0.918 28.651 ( 0.000 0.394 -1.307) 1.365 28.659 ( 0.000 -0.305 -1.802) 1.828 28.921 ( 0.000 1.045 0.486) 1.152 28.944 ( 0.000 -1.035 -0.209) 1.056 29.155 ( 0.000 3.309 1.470) 3.621 29.237 ( 0.000 -4.048 -2.082) 4.552 29.625 ( 0.000 -0.079 6.219) 6.219 29.633 ( 0.000 -1.256 6.895) 7.009 29.834 ( 0.000 6.247 -3.677) 7.249 29.945 ( 0.000 -4.147 -7.889) 8.913 30.338 ( 0.000 0.202 -0.153) 0.253 30.343 ( 0.000 -0.227 -0.416) 0.474 31.466 ( 0.000 0.875 4.177) 4.268 31.487 ( 0.000 -1.009 3.422) 3.567 31.603 ( 0.000 0.080 -1.496) 1.498 31.606 ( 0.000 -0.218 -0.874) 0.901 31.732 ( 0.000 1.141 2.298) 2.565 31.765 ( 0.000 -1.831 6.656) 6.903 31.988 ( 0.000 2.599 -3.755) 4.566 32.010 ( 0.000 4.860 1.208) 5.008 32.036 ( 0.000 -1.397 -5.943) 6.105 32.133 ( 0.000 -6.331 2.418) 6.777 32.597 ( 0.000 8.227 -1.035) 8.292 32.720 ( 0.000 0.568 -7.903) 7.923 32.739 ( 0.000 -1.379 -9.744) 9.841 32.761 ( 0.000 -6.651 -5.250) 8.473 33.590 ( 0.000 0.992 1.386) 1.705 33.608 ( 0.000 -0.592 0.468) 0.755 33.960 ( 0.000 1.169 -1.294) 1.744 33.985 ( 0.000 -1.070 -2.655) 2.863 34.250 ( 0.000 2.160 3.677) 4.265 34.326 ( 0.000 -5.126 1.803) 5.434 34.603 ( 0.000 3.995 -10.319) 11.065 34.662 ( 0.000 -1.785 -10.742) 10.890 ======================= Grid point 51 (23/30) ======================= q-point: ( 0.20 0.33 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.137 ( 7.064 0.695 17.126) 18.539 2.219 ( 10.513 -2.715 11.562) 15.861 2.293 ( 6.818 -1.367 7.466) 10.203 2.319 ( 5.593 -5.493 5.121) 9.364 2.580 ( 11.395 6.379 7.103) 14.866 2.651 ( 5.412 2.217 3.774) 6.960 2.738 ( 4.418 1.734 2.878) 5.550 2.795 ( 6.683 -5.369 7.681) 11.510 2.862 ( 3.121 3.189 -0.989) 4.570 3.017 ( 9.974 -5.014 1.282) 11.237 3.185 ( -0.998 2.634 0.182) 2.823 3.280 ( -3.080 -5.765 3.023) 7.201 3.371 ( -0.337 2.361 9.489) 9.784 3.424 ( -2.754 -2.853 12.970) 13.562 3.560 ( 2.195 4.447 9.561) 10.770 3.596 ( 1.095 2.374 3.705) 4.535 3.653 ( 2.528 -1.170 11.177) 11.519 3.673 ( 5.120 1.556 7.918) 9.557 3.709 ( -2.789 0.463 4.523) 5.334 3.775 ( -3.541 -3.122 0.360) 4.735 3.814 ( -3.428 1.582 2.610) 4.590 3.864 ( -0.003 -5.346 3.304) 6.284 3.970 ( 1.593 5.304 -0.877) 5.608 3.994 ( -2.173 7.657 0.455) 7.972 4.036 ( 2.200 2.268 0.013) 3.160 4.061 ( 0.722 3.436 -0.210) 3.517 4.140 ( 3.687 -0.208 -0.117) 3.695 4.186 ( 1.096 -1.314 8.158) 8.336 4.259 ( -0.951 0.422 0.435) 1.128 4.366 ( -3.206 5.897 -2.281) 7.089 4.418 ( 5.669 -4.989 8.536) 11.397 4.441 ( 4.121 4.471 1.889) 6.368 4.519 ( 1.237 3.667 -0.398) 3.890 4.617 ( 0.680 -0.352 2.366) 2.487 4.633 ( -1.242 6.175 0.070) 6.299 4.721 ( -4.549 -3.118 2.893) 6.227 4.839 ( -1.368 -2.577 1.631) 3.343 4.852 ( -0.556 -0.569 -4.665) 4.733 4.930 ( 1.157 -5.753 -2.663) 6.444 4.997 ( -2.632 -9.297 1.581) 9.790 5.028 ( 6.389 2.771 1.675) 7.162 5.058 ( -0.753 2.911 -2.462) 3.886 5.130 ( 1.726 -2.897 1.695) 3.775 5.172 ( -6.681 -2.188 -1.053) 7.109 5.235 ( 0.634 -5.182 -6.933) 8.679 5.252 ( -2.000 -5.581 -3.364) 6.816 5.318 ( -9.608 0.434 -6.348) 11.524 5.354 ( -3.138 0.582 -6.601) 7.332 5.471 ( 1.675 1.596 1.027) 2.531 5.498 ( 1.844 -0.083 -1.301) 2.259 5.574 ( 3.059 1.001 -1.786) 3.681 5.576 ( -0.328 1.212 -0.632) 1.406 5.597 ( 4.442 -0.314 0.343) 4.466 5.636 ( 1.429 -1.212 -2.377) 3.027 5.729 ( 2.043 3.263 -0.528) 3.885 5.767 ( -2.876 0.898 9.079) 9.566 5.826 ( 1.157 -4.057 4.033) 5.837 5.901 ( 0.948 -5.072 -1.680) 5.427 5.978 ( 4.287 3.147 -4.895) 7.228 6.093 ( -2.225 -6.042 -0.539) 6.461 6.165 ( 0.904 2.702 -1.641) 3.288 6.283 ( -0.438 -6.115 7.166) 9.431 6.408 ( -3.340 6.057 -3.233) 7.635 6.449 ( 0.281 5.794 0.277) 5.808 6.522 ( -2.334 -4.224 -5.159) 7.064 6.547 ( 3.450 -4.177 5.570) 7.770 6.612 ( -0.311 6.543 -5.132) 8.321 6.623 ( 4.138 1.685 5.879) 7.384 6.675 ( 5.047 -2.459 4.090) 6.946 6.747 ( -1.070 -3.325 -0.753) 3.574 6.863 ( -2.836 8.026 3.329) 9.140 7.009 ( -1.213 6.422 -0.467) 6.552 7.014 ( 0.041 -0.523 1.200) 1.310 7.074 ( -1.516 3.951 1.395) 4.456 7.165 ( 4.389 -3.907 -1.614) 6.094 7.306 ( 2.676 -10.768 1.955) 11.266 7.398 ( 8.546 0.926 0.520) 8.612 7.415 ( 9.296 1.112 -1.215) 9.441 7.469 ( -0.698 3.490 7.245) 8.072 7.512 ( -0.064 0.267 7.323) 7.328 7.676 ( 5.341 3.211 4.551) 7.717 7.709 ( 5.287 -1.122 5.855) 7.968 7.772 ( -3.540 6.546 3.450) 8.203 7.910 ( 4.098 -4.647 1.176) 6.306 7.966 ( -5.565 -0.804 2.040) 5.981 7.984 ( -0.332 -1.299 2.056) 2.454 8.055 ( 0.354 1.722 4.865) 5.172 8.086 ( -0.929 -1.130 2.676) 3.050 8.387 ( 0.654 3.298 -0.497) 3.398 8.454 ( 7.662 -2.455 -2.757) 8.505 8.486 ( 4.499 2.257 0.163) 5.036 8.553 ( 9.335 -2.449 -4.294) 10.563 8.810 ( -1.845 4.218 6.014) 7.574 8.852 ( -2.525 0.907 8.656) 9.063 9.004 ( -6.747 0.639 6.858) 9.642 9.059 ( -5.523 -2.230 7.063) 9.239 9.216 ( -0.376 -1.623 4.905) 5.180 9.233 ( -4.249 -3.005 -0.048) 5.205 9.346 ( -6.572 1.263 -3.576) 7.588 9.368 ( -7.915 -0.957 -0.092) 7.973 9.464 ( -6.108 1.256 -5.414) 8.258 9.483 ( -7.377 -0.630 -5.224) 9.062 9.689 ( -1.691 0.951 8.279) 8.503 9.710 ( -3.729 -0.114 5.999) 7.064 9.873 ( -5.349 -0.945 6.670) 8.602 9.921 ( -4.642 -4.348 1.734) 6.593 10.062 ( 5.434 3.665 8.486) 10.723 10.102 ( -1.566 0.825 6.339) 6.582 10.222 ( 0.345 2.743 10.307) 10.672 10.350 ( -1.918 -7.710 3.549) 8.702 10.602 ( 5.266 1.739 1.542) 5.756 10.629 ( 4.816 0.022 0.330) 4.828 10.701 ( -1.239 1.497 -0.933) 2.155 10.715 ( 1.344 0.029 1.127) 1.754 10.795 ( 1.913 0.824 -1.302) 2.457 10.822 ( -2.442 -1.975 -1.942) 3.693 11.016 ( -1.817 1.686 1.235) 2.770 11.062 ( -1.008 -2.349 -1.649) 3.042 11.155 ( 4.534 1.011 -3.317) 5.708 11.186 ( 4.014 -0.978 -5.079) 6.547 11.480 ( 0.220 2.741 -17.650) 17.863 11.546 ( -0.420 -2.866 -18.515) 18.740 11.569 ( 0.603 4.279 -13.847) 14.505 11.634 ( -0.059 -1.658 -14.185) 14.282 11.872 ( 3.917 -0.073 -1.444) 4.175 11.922 ( 3.461 -3.406 -3.172) 5.800 12.032 ( 0.172 3.393 -2.950) 4.500 12.079 ( -0.709 5.140 -2.650) 5.826 12.156 ( -1.561 -4.579 -2.467) 5.431 12.274 ( -1.994 -8.660 -0.946) 8.936 12.486 ( 7.686 4.600 1.189) 9.036 12.521 ( 6.309 1.191 2.027) 6.733 12.797 ( 2.271 1.583 13.918) 14.190 12.825 ( 2.354 -0.899 13.518) 13.750 13.089 ( -8.277 0.886 2.318) 8.641 13.112 ( -7.963 -1.360 2.224) 8.379 13.193 ( -9.145 3.918 0.836) 9.984 13.203 ( -7.677 3.563 2.310) 8.773 13.246 ( -7.287 -2.019 -2.344) 7.916 13.297 ( -8.329 -3.317 1.669) 9.119 13.475 ( 5.205 1.143 -8.665) 10.173 13.499 ( 3.646 -1.051 -5.393) 6.594 13.666 ( -1.009 1.894 -7.787) 8.077 13.702 ( -2.363 -1.255 -6.852) 7.356 13.978 ( 9.556 2.135 3.249) 10.316 14.037 ( 9.379 -3.165 0.487) 9.911 14.289 ( 3.081 1.722 -8.919) 9.592 14.318 ( 1.770 -0.902 -10.429) 10.617 14.614 ( -2.952 0.767 -0.175) 3.055 14.635 ( -2.723 -0.909 -0.882) 3.004 14.875 ( 4.113 -0.163 -1.281) 4.311 14.880 ( 4.411 -0.483 -1.345) 4.637 15.010 ( -3.076 0.490 0.639) 3.180 15.022 ( -2.059 -0.611 0.235) 2.160 15.096 ( -3.753 1.025 -3.703) 5.371 15.118 ( -4.863 -0.944 -4.633) 6.783 15.979 ( 0.176 0.410 -1.770) 1.825 15.995 ( 0.065 -1.022 -2.185) 2.413 16.138 ( -2.029 2.053 0.264) 2.898 16.159 ( -2.278 0.526 -0.458) 2.383 16.220 ( 1.968 -0.089 0.925) 2.177 16.229 ( 2.164 -1.171 1.445) 2.853 16.270 ( 0.618 -0.042 1.622) 1.737 16.280 ( 0.943 -0.597 1.256) 1.680 16.310 ( 1.155 2.014 -1.248) 2.636 16.347 ( 0.509 -1.384 -1.884) 2.393 16.556 ( -4.115 1.049 1.571) 4.528 16.590 ( -5.000 -2.073 0.312) 5.422 16.868 ( -3.941 0.644 -1.573) 4.292 16.884 ( -3.595 -0.766 -1.787) 4.088 16.959 ( 2.808 1.276 11.393) 11.804 16.984 ( 2.857 -1.011 11.562) 11.953 17.400 ( -11.964 1.824 0.280) 12.106 17.427 ( -10.851 -0.547 0.485) 10.876 17.610 ( 2.017 -0.334 -4.963) 5.368 17.620 ( 1.601 -0.938 -5.062) 5.391 17.717 ( 2.415 0.052 -2.582) 3.535 17.745 ( 4.108 -2.258 -3.903) 6.100 17.963 ( -5.220 2.518 -7.969) 9.853 18.012 ( -4.479 -2.127 -8.300) 9.668 18.124 ( -3.219 1.155 -1.454) 3.717 18.134 ( -1.167 0.046 -2.130) 2.429 18.217 ( -4.229 2.714 2.366) 5.554 18.264 ( -3.248 -0.230 -1.967) 3.804 18.351 ( -2.955 0.457 2.805) 4.099 18.399 ( -3.448 -2.343 -0.527) 4.202 18.516 ( 1.080 1.283 -1.334) 2.144 18.539 ( 1.354 -0.780 -2.397) 2.862 18.727 ( 6.831 0.619 0.133) 6.860 18.743 ( 6.975 -0.735 0.849) 7.065 18.797 ( 5.566 0.479 -3.015) 6.349 18.811 ( 5.662 -0.805 -2.374) 6.192 26.131 ( 0.513 2.093 0.693) 2.264 26.158 ( 0.010 -0.183 -0.490) 0.524 26.236 ( 0.660 -0.510 0.135) 0.845 26.241 ( 0.459 -0.946 -0.036) 1.052 27.447 ( 1.953 0.370 1.029) 2.239 27.456 ( 1.846 -0.388 1.235) 2.255 27.485 ( 0.904 2.083 -0.863) 2.429 27.532 ( 0.446 -2.075 -2.218) 3.069 27.993 ( 1.246 0.143 -0.581) 1.382 27.995 ( 1.378 -0.062 -0.476) 1.459 28.145 ( -0.715 0.527 0.825) 1.212 28.157 ( -0.966 -0.586 0.308) 1.171 28.664 ( 6.037 0.332 1.221) 6.169 28.673 ( 5.861 -0.404 0.859) 5.938 28.723 ( 5.713 0.513 -1.616) 5.959 28.734 ( 5.838 -0.474 -2.015) 6.194 28.936 ( 1.434 1.269 0.667) 2.028 28.964 ( 1.921 -1.275 -0.191) 2.313 29.142 ( -1.055 3.085 1.001) 3.410 29.213 ( -2.109 -3.316 -1.943) 4.384 29.593 ( -2.631 0.247 6.099) 6.647 29.612 ( -1.655 -1.813 5.570) 6.087 29.783 ( -4.392 4.179 -2.095) 6.414 29.850 ( -7.184 -2.223 -4.167) 8.598 30.446 ( 8.446 0.580 -2.663) 8.875 30.460 ( 9.150 -0.699 -3.373) 9.777 31.514 ( 4.197 0.403 3.448) 5.447 31.528 ( 3.209 -0.978 2.875) 4.418 31.609 ( 1.230 1.771 0.301) 2.177 31.641 ( 2.640 -1.216 -1.666) 3.350 31.735 ( 0.029 0.168 2.667) 2.672 31.747 ( -1.573 -0.939 6.834) 7.076 31.979 ( -0.758 3.044 -2.707) 4.144 32.004 ( -0.692 3.949 -0.009) 4.009 32.038 ( 0.423 -1.816 -7.680) 7.903 32.107 ( -2.209 -5.512 0.540) 5.962 32.566 ( -2.563 7.303 -1.814) 7.949 32.660 ( -4.706 -0.225 -8.273) 9.520 32.723 ( -1.466 -1.463 -6.910) 7.213 32.752 ( -1.211 -5.047 -5.979) 7.917 33.576 ( -1.078 0.824 1.060) 1.722 33.592 ( -1.333 -0.548 0.265) 1.466 33.983 ( 2.197 1.451 -1.115) 2.859 34.011 ( 2.372 -1.027 -2.440) 3.554 34.219 ( -2.665 1.782 3.455) 4.713 34.287 ( -3.395 -5.028 1.428) 6.233 34.533 ( -5.655 4.578 -7.767) 10.643 34.599 ( -5.484 -2.003 -9.561) 11.203 ======================= Grid point 52 (24/30) ======================= q-point: ( 0.40 0.33 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.267 ( 4.240 0.463 8.362) 9.387 2.309 ( -0.002 -2.012 4.730) 5.140 2.463 ( 8.675 -2.300 1.979) 9.190 2.482 ( 10.563 -4.130 4.185) 12.089 2.638 ( -4.890 1.949 -0.285) 5.272 2.714 ( -6.246 -5.168 2.416) 8.460 2.850 ( 6.609 1.814 2.563) 7.317 2.912 ( 0.350 -2.316 5.159) 5.666 2.994 ( 5.847 6.183 11.527) 14.328 3.063 ( -2.538 1.960 12.395) 12.803 3.260 ( 5.422 5.979 6.001) 10.058 3.327 ( -2.625 -2.004 9.869) 10.407 3.411 ( 5.229 -2.395 7.780) 9.675 3.453 ( 16.695 -6.035 7.266) 19.182 3.566 ( -2.350 4.333 11.361) 12.384 3.625 ( 0.792 -3.220 7.436) 8.142 3.649 ( -1.910 2.630 4.925) 5.901 3.702 ( -0.142 -1.855 7.238) 7.473 3.727 ( -2.510 1.626 6.642) 7.284 3.769 ( -2.575 -2.144 4.450) 5.570 3.799 ( 6.032 3.533 2.485) 7.419 3.864 ( -0.983 -3.465 4.533) 5.789 3.964 ( 1.120 3.338 5.862) 6.838 3.980 ( 0.097 1.648 4.027) 4.352 4.054 ( -0.438 6.603 2.985) 7.259 4.082 ( -1.826 6.284 1.815) 6.790 4.167 ( 1.648 5.340 -0.977) 5.674 4.199 ( 0.810 -4.152 -1.494) 4.486 4.267 ( -0.194 -2.054 -0.026) 2.063 4.296 ( -2.225 -2.368 -2.733) 4.245 4.439 ( -1.698 -0.585 2.210) 2.848 4.451 ( -4.614 -2.908 -2.263) 5.905 4.602 ( 3.656 7.165 2.850) 8.534 4.632 ( 6.360 5.816 2.432) 8.955 4.709 ( 3.694 -1.168 -6.664) 7.708 4.725 ( 1.923 -0.781 5.007) 5.420 4.810 ( 1.077 -2.061 -6.969) 7.346 4.843 ( -0.884 -3.616 -1.295) 3.941 4.873 ( -3.088 -0.778 -6.653) 7.376 4.953 ( -1.735 -8.116 -7.460) 11.159 4.973 ( -5.009 5.596 -2.742) 7.995 5.081 ( -7.933 -2.929 -6.669) 10.770 5.104 ( 0.354 2.136 1.441) 2.601 5.117 ( -1.348 2.514 -4.307) 5.166 5.189 ( 4.402 -0.618 -0.709) 4.502 5.253 ( 3.190 -6.859 0.737) 7.600 5.263 ( 0.810 -4.551 -5.085) 6.872 5.353 ( -3.039 -10.069 0.472) 10.528 5.460 ( 0.204 7.111 -3.003) 7.722 5.522 ( -0.240 3.267 0.069) 3.277 5.591 ( -1.319 3.005 6.444) 7.232 5.632 ( -5.429 -1.108 4.466) 7.116 5.644 ( 3.291 -3.350 6.579) 8.084 5.685 ( 1.324 -3.011 5.798) 6.666 5.735 ( 5.350 5.022 -1.243) 7.443 5.784 ( 4.817 3.841 -0.142) 6.162 5.814 ( -0.887 2.291 0.693) 2.553 5.900 ( -1.851 0.466 -5.185) 5.525 6.011 ( -1.028 -9.645 -0.798) 9.732 6.040 ( -2.217 -8.094 -1.490) 8.524 6.190 ( 2.641 5.491 -2.020) 6.419 6.278 ( -5.223 5.167 -3.640) 8.199 6.305 ( 0.756 -5.062 -0.791) 5.179 6.365 ( -5.078 -2.942 -3.854) 7.021 6.530 ( 3.081 2.763 -6.898) 8.044 6.571 ( -0.111 0.020 -6.624) 6.625 6.636 ( 2.018 4.356 -3.599) 6.000 6.683 ( -1.715 2.694 -0.466) 3.228 6.791 ( 4.999 6.042 12.869) 15.070 6.821 ( 2.934 0.348 6.691) 7.315 6.943 ( 4.429 1.468 6.847) 8.285 6.971 ( -0.223 -2.729 7.247) 7.747 7.020 ( 2.437 1.246 2.495) 3.704 7.035 ( -1.509 -1.600 2.509) 3.337 7.279 ( 4.841 -8.412 4.246) 10.593 7.324 ( 1.593 -8.612 3.980) 9.620 7.474 ( 1.534 3.608 9.742) 10.502 7.524 ( -0.281 1.676 2.923) 3.381 7.556 ( 1.754 2.537 7.634) 8.234 7.596 ( 4.634 -0.578 3.623) 5.910 7.657 ( 1.668 2.945 -0.597) 3.437 7.739 ( -3.635 -4.473 -0.606) 5.796 7.784 ( -6.107 2.264 8.871) 11.005 7.828 ( -6.406 -0.812 6.362) 9.064 7.922 ( 8.271 7.446 1.097) 11.183 8.055 ( 4.978 -1.612 -1.160) 5.360 8.127 ( 5.753 1.521 5.956) 8.419 8.231 ( 4.768 -5.012 5.801) 9.028 8.309 ( 0.821 7.582 5.529) 9.420 8.435 ( -0.166 -2.541 2.293) 3.427 8.518 ( -9.745 6.168 2.179) 11.737 8.619 ( -8.673 -4.055 0.909) 9.617 8.772 ( -0.341 4.741 -2.797) 5.515 8.805 ( -0.085 2.928 -0.032) 2.929 8.966 ( 3.832 -4.157 1.389) 5.822 8.979 ( -1.442 -5.454 3.209) 6.490 9.171 ( -3.343 2.175 0.090) 3.989 9.184 ( -5.483 0.636 -3.244) 6.402 9.242 ( 2.910 -0.600 1.189) 3.201 9.264 ( 4.736 -2.620 -1.669) 5.664 9.377 ( -5.121 1.388 -5.797) 7.859 9.402 ( -4.551 -0.987 -8.084) 9.330 9.620 ( -1.257 1.113 8.151) 8.322 9.650 ( -2.697 -1.454 6.911) 7.560 9.801 ( 0.924 2.623 8.139) 8.601 9.872 ( -0.646 -2.156 6.737) 7.103 10.008 ( -2.142 5.356 0.590) 5.799 10.163 ( -9.357 -7.738 -1.049) 12.187 10.211 ( 5.616 1.834 12.710) 14.015 10.280 ( -0.016 -3.799 5.819) 6.950 10.629 ( -2.399 0.399 3.523) 4.281 10.639 ( -3.448 -0.522 3.588) 5.004 10.740 ( 3.777 2.912 -5.768) 7.485 10.757 ( 2.342 1.227 -5.665) 6.251 10.804 ( 0.846 1.700 -1.302) 2.302 10.827 ( -0.513 0.391 -0.432) 0.776 11.010 ( 2.096 0.018 -3.432) 4.021 11.050 ( -0.637 -3.385 -2.695) 4.373 11.231 ( 2.138 -1.081 -3.849) 4.534 11.244 ( 0.905 -1.989 -5.947) 6.335 11.491 ( 1.337 2.569 -13.723) 14.025 11.533 ( -1.616 -0.890 -13.714) 13.837 11.597 ( 1.430 4.060 -13.392) 14.067 11.613 ( -0.758 2.657 -14.750) 15.006 11.936 ( 1.467 0.260 -1.607) 2.192 11.969 ( -0.548 -0.638 -1.892) 2.071 12.017 ( 2.814 -1.049 -0.372) 3.026 12.085 ( -2.170 -3.362 -0.039) 4.001 12.214 ( 5.643 -3.893 -2.956) 7.466 12.264 ( 0.554 -6.652 -1.633) 6.872 12.679 ( 9.411 4.304 2.002) 10.540 12.683 ( 8.611 3.816 1.638) 9.560 12.824 ( -1.105 1.250 9.528) 9.673 12.850 ( -0.824 -1.196 9.348) 9.461 12.915 ( -7.760 2.694 3.540) 8.945 12.928 ( -8.512 0.797 4.462) 9.644 13.014 ( -3.577 1.646 2.131) 4.477 13.054 ( -5.678 0.140 2.860) 6.359 13.096 ( -4.204 -0.199 0.080) 4.209 13.135 ( -6.086 -2.583 3.033) 7.274 13.574 ( 3.325 -0.220 -10.215) 10.745 13.576 ( 3.147 -0.435 -8.966) 9.512 13.647 ( -1.062 0.809 -8.952) 9.051 13.656 ( -1.967 0.014 -8.489) 8.714 14.174 ( 8.216 1.333 1.790) 8.514 14.214 ( 6.419 -2.325 0.559) 6.850 14.308 ( -2.391 0.507 -3.072) 3.925 14.317 ( -1.826 -0.349 -3.510) 3.972 14.584 ( -0.074 1.175 -0.682) 1.361 14.596 ( -1.087 0.193 -0.913) 1.433 14.940 ( 1.625 -0.077 -1.731) 2.376 14.946 ( 1.783 -0.383 -2.064) 2.754 14.967 ( -0.258 0.603 -1.658) 1.783 14.990 ( -0.894 -1.435 -1.840) 2.499 15.010 ( -3.571 0.016 -2.884) 4.590 15.012 ( -3.798 -0.210 -3.789) 5.369 15.985 ( 0.402 -0.257 -2.045) 2.100 15.993 ( -0.262 -1.006 -2.301) 2.525 16.100 ( -0.950 2.024 -0.564) 2.306 16.112 ( -1.854 1.203 -1.007) 2.428 16.264 ( 1.936 0.377 -0.121) 1.976 16.269 ( 1.491 -0.073 -0.514) 1.579 16.286 ( 0.387 0.576 0.100) 0.701 16.302 ( 0.346 -0.992 -0.485) 1.158 16.352 ( 3.089 1.069 0.920) 3.396 16.376 ( 2.130 -0.670 0.466) 2.281 16.464 ( -4.120 -0.789 2.151) 4.714 16.471 ( -5.352 -1.579 2.401) 6.074 16.800 ( -1.738 0.198 -2.824) 3.322 16.808 ( -2.431 -0.490 -2.550) 3.557 17.036 ( 4.170 1.147 7.928) 9.031 17.057 ( 3.757 -0.804 7.931) 8.812 17.169 ( -8.415 1.655 5.155) 10.006 17.194 ( -9.132 -0.627 4.450) 10.178 17.632 ( 0.350 -0.573 -4.884) 4.930 17.636 ( -0.030 -0.828 -4.379) 4.457 17.768 ( 1.680 0.582 -4.158) 4.522 17.791 ( -0.540 -1.571 -5.246) 5.503 17.929 ( 2.617 1.980 -4.762) 5.783 17.964 ( -0.348 -1.180 -5.372) 5.511 18.091 ( -1.057 1.687 -1.495) 2.490 18.098 ( -2.921 1.060 -1.315) 3.374 18.179 ( 2.057 -0.396 0.017) 2.094 18.191 ( -1.518 -1.150 0.187) 1.913 18.271 ( -3.694 1.143 0.578) 3.909 18.302 ( -5.096 -1.408 -1.283) 5.440 18.546 ( 1.293 0.554 -1.026) 1.741 18.558 ( 0.240 -0.485 -1.525) 1.618 18.853 ( 4.157 0.558 -0.911) 4.292 18.866 ( 3.835 -0.644 -0.234) 3.896 18.883 ( 1.894 0.528 -2.378) 3.086 18.895 ( 1.633 -0.568 -1.691) 2.419 26.145 ( 0.662 1.254 0.430) 1.481 26.155 ( -0.320 0.359 -0.046) 0.483 26.246 ( 0.302 -0.654 -0.030) 0.721 26.248 ( 0.166 -0.725 -0.041) 0.745 27.485 ( 1.307 0.589 0.791) 1.637 27.493 ( 0.848 0.516 0.129) 1.001 27.506 ( 1.429 0.259 -0.026) 1.452 27.532 ( -0.609 -1.425 -1.094) 1.897 28.018 ( 0.849 0.176 -0.119) 0.875 28.020 ( 0.685 -0.029 -0.090) 0.692 28.133 ( -0.249 0.187 0.150) 0.345 28.138 ( -0.705 -0.266 -0.002) 0.753 28.798 ( 4.957 0.056 0.295) 4.966 28.801 ( 4.603 -0.249 0.191) 4.614 28.822 ( 2.616 0.440 -0.818) 2.776 28.831 ( 2.245 -0.417 -0.868) 2.442 28.984 ( 3.149 1.488 1.017) 3.628 29.013 ( 1.773 -1.116 -0.024) 2.095 29.123 ( -0.567 1.398 0.952) 1.784 29.156 ( -3.144 -1.492 -0.516) 3.518 29.554 ( 0.304 1.248 3.908) 4.113 29.590 ( -0.551 -2.029 1.757) 2.740 29.676 ( -4.298 1.636 0.564) 4.633 29.706 ( -5.509 -1.126 -0.193) 5.626 30.613 ( 5.623 0.600 -5.280) 7.737 30.624 ( 4.747 -0.350 -5.598) 7.348 31.585 ( 2.259 0.894 4.244) 4.890 31.613 ( 4.157 -1.129 1.851) 4.688 31.631 ( -0.547 1.694 5.706) 5.977 31.682 ( -0.770 -2.596 2.909) 3.974 31.731 ( 1.310 0.385 -0.411) 1.426 31.737 ( 0.820 -0.142 0.139) 0.844 31.962 ( -0.525 2.521 -2.016) 3.271 31.979 ( -1.742 2.074 -2.126) 3.443 32.050 ( 0.568 -1.860 -7.329) 7.582 32.064 ( -1.211 -2.771 -4.633) 5.532 32.522 ( -0.710 4.763 -3.727) 6.089 32.559 ( -4.040 1.537 -6.622) 7.908 32.698 ( -0.451 -2.303 -5.227) 5.730 32.715 ( -1.872 -3.823 -5.383) 6.863 33.558 ( -0.378 0.347 0.419) 0.663 33.565 ( -0.974 -0.247 0.076) 1.007 34.044 ( 3.138 1.815 -0.817) 3.716 34.068 ( 1.949 -0.108 -1.690) 2.582 34.166 ( -1.332 0.260 2.653) 2.980 34.205 ( -3.918 -3.446 1.071) 5.327 34.433 ( -2.214 2.822 -5.173) 6.295 34.473 ( -5.319 -1.061 -6.905) 8.781 ======================= Grid point 60 (25/30) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 18 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.347 ( 0.000 0.000 -11.199) 11.199 2.347 ( 0.000 0.000 11.199) 11.199 2.432 ( 0.000 0.000 -7.416) 7.416 2.432 ( 0.000 0.000 7.416) 7.416 2.490 ( 0.000 0.000 -0.464) 0.464 2.490 ( 0.000 0.000 0.464) 0.464 2.704 ( 0.000 0.000 -4.313) 4.313 2.704 ( 0.000 0.000 4.313) 4.313 2.770 ( 0.000 0.000 -16.047) 16.047 2.770 ( 0.000 0.000 16.047) 16.047 3.376 ( 0.000 0.000 -8.888) 8.888 3.376 ( 0.000 0.000 8.888) 8.888 3.440 ( 0.000 0.000 -10.562) 10.562 3.440 ( 0.000 0.000 10.562) 10.562 3.682 ( 0.000 0.000 -0.511) 0.511 3.682 ( 0.000 0.000 0.511) 0.511 3.764 ( 0.000 0.000 -6.349) 6.349 3.764 ( 0.000 0.000 6.349) 6.349 3.774 ( 0.000 0.000 -5.808) 5.808 3.774 ( 0.000 0.000 5.808) 5.808 3.842 ( 0.000 0.000 -5.453) 5.453 3.842 ( 0.000 0.000 5.453) 5.453 3.873 ( 0.000 0.000 -1.133) 1.133 3.873 ( 0.000 0.000 1.133) 1.133 4.021 ( 0.000 0.000 -10.251) 10.251 4.021 ( 0.000 0.000 10.251) 10.251 4.147 ( 0.000 0.000 -4.140) 4.140 4.147 ( 0.000 0.000 4.140) 4.140 4.326 ( 0.000 0.000 -0.620) 0.620 4.326 ( 0.000 0.000 0.620) 0.620 4.345 ( 0.000 0.000 -2.605) 2.605 4.345 ( 0.000 0.000 2.605) 2.605 4.508 ( 0.000 0.000 -2.718) 2.718 4.508 ( 0.000 0.000 2.718) 2.718 4.766 ( 0.000 0.000 -9.526) 9.526 4.766 ( 0.000 0.000 9.526) 9.526 4.909 ( 0.000 0.000 -6.818) 6.818 4.909 ( 0.000 0.000 6.818) 6.818 4.985 ( 0.000 0.000 -1.129) 1.129 4.985 ( 0.000 0.000 1.129) 1.129 5.042 ( 0.000 0.000 -12.760) 12.760 5.042 ( 0.000 0.000 12.760) 12.760 5.194 ( 0.000 0.000 -3.417) 3.417 5.194 ( 0.000 0.000 3.417) 3.417 5.293 ( 0.000 0.000 -4.560) 4.560 5.293 ( 0.000 0.000 4.560) 4.560 5.399 ( 0.000 0.000 -0.552) 0.552 5.399 ( 0.000 0.000 0.552) 0.552 5.426 ( 0.000 0.000 -1.494) 1.494 5.426 ( 0.000 0.000 1.494) 1.494 5.503 ( 0.000 0.000 -2.371) 2.371 5.503 ( 0.000 0.000 2.371) 2.371 5.545 ( 0.000 0.000 -3.250) 3.250 5.545 ( 0.000 0.000 3.250) 3.250 5.806 ( 0.000 0.000 -1.486) 1.486 5.806 ( 0.000 0.000 1.486) 1.486 5.853 ( 0.000 0.000 -2.355) 2.355 5.853 ( 0.000 0.000 2.355) 2.355 6.174 ( 0.000 0.000 -12.595) 12.595 6.174 ( 0.000 0.000 12.595) 12.595 6.178 ( 0.000 0.000 -7.151) 7.151 6.178 ( 0.000 0.000 7.151) 7.151 6.407 ( 0.000 0.000 -15.060) 15.060 6.407 ( 0.000 0.000 15.060) 15.060 6.661 ( 0.000 0.000 -2.927) 2.927 6.661 ( 0.000 0.000 2.927) 2.927 6.690 ( 0.000 0.000 -7.263) 7.263 6.690 ( 0.000 0.000 7.263) 7.263 6.733 ( 0.000 0.000 -9.158) 9.158 6.733 ( 0.000 0.000 9.158) 9.158 6.740 ( 0.000 0.000 -1.298) 1.298 6.740 ( 0.000 0.000 1.298) 1.298 6.964 ( 0.000 0.000 -6.775) 6.775 6.964 ( 0.000 0.000 6.775) 6.775 7.207 ( 0.000 0.000 -1.043) 1.043 7.207 ( 0.000 0.000 1.043) 1.043 7.247 ( 0.000 0.000 -9.467) 9.467 7.247 ( 0.000 0.000 9.467) 9.467 7.641 ( 0.000 0.000 -16.068) 16.068 7.641 ( 0.000 0.000 16.068) 16.068 7.715 ( 0.000 0.000 -4.272) 4.272 7.715 ( 0.000 0.000 4.272) 4.272 7.732 ( 0.000 0.000 -3.419) 3.419 7.732 ( 0.000 0.000 3.419) 3.419 7.982 ( 0.000 0.000 -10.560) 10.560 7.982 ( 0.000 0.000 10.560) 10.560 8.157 ( 0.000 0.000 -2.476) 2.476 8.157 ( 0.000 0.000 2.476) 2.476 8.353 ( 0.000 0.000 -3.376) 3.376 8.353 ( 0.000 0.000 3.376) 3.376 8.418 ( 0.000 0.000 -2.268) 2.268 8.418 ( 0.000 0.000 2.268) 2.268 8.995 ( 0.000 0.000 -5.428) 5.428 8.995 ( 0.000 0.000 5.428) 5.428 9.224 ( 0.000 0.000 -7.552) 7.552 9.224 ( 0.000 0.000 7.552) 7.552 9.261 ( 0.000 0.000 -1.553) 1.553 9.261 ( 0.000 0.000 1.553) 1.553 9.404 ( 0.000 0.000 -5.920) 5.920 9.404 ( 0.000 0.000 5.920) 5.920 9.617 ( 0.000 0.000 -0.843) 0.843 9.617 ( 0.000 0.000 0.843) 0.843 9.734 ( 0.000 0.000 -1.169) 1.169 9.734 ( 0.000 0.000 1.169) 1.169 9.978 ( 0.000 0.000 -0.057) 0.057 9.978 ( 0.000 0.000 0.057) 0.057 10.165 ( 0.000 0.000 -3.459) 3.459 10.165 ( 0.000 0.000 3.459) 3.459 10.468 ( 0.000 0.000 -12.266) 12.266 10.468 ( 0.000 0.000 12.266) 12.266 10.622 ( 0.000 0.000 -4.646) 4.646 10.622 ( 0.000 0.000 4.646) 4.646 10.689 ( 0.000 0.000 -1.182) 1.182 10.689 ( 0.000 0.000 1.182) 1.182 10.855 ( 0.000 0.000 -7.372) 7.372 10.855 ( 0.000 0.000 7.372) 7.372 10.945 ( 0.000 0.000 -12.426) 12.426 10.945 ( 0.000 0.000 12.426) 12.426 11.186 ( 0.000 0.000 -9.310) 9.310 11.186 ( 0.000 0.000 9.310) 9.310 11.190 ( 0.000 0.000 -13.463) 13.463 11.190 ( 0.000 0.000 13.463) 13.463 11.405 ( 0.000 0.000 -8.484) 8.484 11.405 ( 0.000 0.000 8.484) 8.484 11.863 ( 0.000 0.000 -1.497) 1.497 11.863 ( 0.000 0.000 1.497) 1.497 11.952 ( 0.000 0.000 -3.263) 3.263 11.952 ( 0.000 0.000 3.263) 3.263 12.247 ( 0.000 0.000 -2.657) 2.657 12.247 ( 0.000 0.000 2.657) 2.657 12.429 ( 0.000 0.000 -0.005) 0.005 12.429 ( 0.000 0.000 0.005) 0.005 13.088 ( 0.000 0.000 -13.748) 13.748 13.088 ( 0.000 0.000 13.748) 13.748 13.088 ( 0.000 0.000 -14.566) 14.566 13.088 ( 0.000 0.000 14.566) 14.566 13.251 ( 0.000 0.000 -2.401) 2.401 13.251 ( 0.000 0.000 2.401) 2.401 13.309 ( 0.000 0.000 -2.271) 2.271 13.309 ( 0.000 0.000 2.271) 2.271 13.465 ( 0.000 0.000 -9.009) 9.009 13.465 ( 0.000 0.000 9.009) 9.009 13.651 ( 0.000 0.000 -5.381) 5.381 13.651 ( 0.000 0.000 5.381) 5.381 13.978 ( 0.000 0.000 -10.349) 10.349 13.978 ( 0.000 0.000 10.349) 10.349 14.041 ( 0.000 0.000 -10.393) 10.393 14.041 ( 0.000 0.000 10.393) 10.393 14.680 ( 0.000 0.000 -0.810) 0.810 14.680 ( 0.000 0.000 0.810) 0.810 14.797 ( 0.000 0.000 -0.104) 0.104 14.797 ( 0.000 0.000 0.104) 0.104 15.069 ( 0.000 0.000 -1.695) 1.695 15.069 ( 0.000 0.000 1.695) 1.695 15.105 ( 0.000 0.000 -3.316) 3.316 15.105 ( 0.000 0.000 3.316) 3.316 15.968 ( 0.000 0.000 -0.945) 0.945 15.968 ( 0.000 0.000 0.945) 0.945 16.187 ( 0.000 0.000 -0.077) 0.077 16.187 ( 0.000 0.000 0.077) 0.077 16.195 ( 0.000 0.000 -2.058) 2.058 16.195 ( 0.000 0.000 2.058) 2.058 16.294 ( 0.000 0.000 -0.173) 0.173 16.294 ( 0.000 0.000 0.173) 0.173 16.305 ( 0.000 0.000 -2.861) 2.861 16.305 ( 0.000 0.000 2.861) 2.861 16.620 ( 0.000 0.000 -2.009) 2.009 16.620 ( 0.000 0.000 2.009) 2.009 16.917 ( 0.000 0.000 -0.089) 0.089 16.917 ( 0.000 0.000 0.089) 0.089 17.238 ( 0.000 0.000 -16.813) 16.813 17.238 ( 0.000 0.000 16.813) 16.813 17.257 ( 0.000 0.000 -16.210) 16.210 17.257 ( 0.000 0.000 16.210) 16.210 17.558 ( 0.000 0.000 -1.131) 1.131 17.558 ( 0.000 0.000 1.131) 1.131 17.845 ( 0.000 0.000 -7.331) 7.331 17.845 ( 0.000 0.000 7.331) 7.331 17.890 ( 0.000 0.000 -11.176) 11.176 17.890 ( 0.000 0.000 11.176) 11.176 18.135 ( 0.000 0.000 -1.579) 1.579 18.135 ( 0.000 0.000 1.579) 1.579 18.240 ( 0.000 0.000 -2.335) 2.335 18.240 ( 0.000 0.000 2.335) 2.335 18.470 ( 0.000 0.000 -0.649) 0.649 18.470 ( 0.000 0.000 0.649) 0.649 18.470 ( 0.000 0.000 -0.230) 0.230 18.470 ( 0.000 0.000 0.230) 0.230 18.665 ( 0.000 0.000 -1.869) 1.869 18.665 ( 0.000 0.000 1.869) 1.869 18.695 ( 0.000 0.000 -2.068) 2.068 18.695 ( 0.000 0.000 2.068) 2.068 26.126 ( 0.000 0.000 -1.570) 1.570 26.126 ( 0.000 0.000 1.570) 1.570 26.246 ( 0.000 0.000 -0.446) 0.446 26.246 ( 0.000 0.000 0.446) 0.446 27.435 ( 0.000 0.000 -0.700) 0.700 27.435 ( 0.000 0.000 0.700) 0.700 27.488 ( 0.000 0.000 -2.771) 2.771 27.488 ( 0.000 0.000 2.771) 2.771 27.970 ( 0.000 0.000 -0.131) 0.131 27.970 ( 0.000 0.000 0.131) 0.131 28.171 ( 0.000 0.000 -0.782) 0.782 28.171 ( 0.000 0.000 0.782) 0.782 28.622 ( 0.000 0.000 -1.821) 1.821 28.622 ( 0.000 0.000 1.821) 1.821 28.627 ( 0.000 0.000 -0.878) 0.878 28.627 ( 0.000 0.000 0.878) 0.878 28.930 ( 0.000 0.000 -1.320) 1.320 28.930 ( 0.000 0.000 1.320) 1.320 29.198 ( 0.000 0.000 -4.269) 4.269 29.198 ( 0.000 0.000 4.269) 4.269 29.715 ( 0.000 0.000 -2.857) 2.857 29.715 ( 0.000 0.000 2.857) 2.857 29.811 ( 0.000 0.000 -8.037) 8.037 29.811 ( 0.000 0.000 8.037) 8.037 30.337 ( 0.000 0.000 -0.225) 0.225 30.337 ( 0.000 0.000 0.225) 0.225 31.551 ( 0.000 0.000 -4.484) 4.484 31.551 ( 0.000 0.000 4.484) 4.484 31.558 ( 0.000 0.000 -2.665) 2.665 31.558 ( 0.000 0.000 2.665) 2.665 31.807 ( 0.000 0.000 -6.542) 6.542 31.807 ( 0.000 0.000 6.542) 6.542 31.943 ( 0.000 0.000 -0.081) 0.081 31.943 ( 0.000 0.000 0.081) 0.081 32.097 ( 0.000 0.000 -9.785) 9.785 32.097 ( 0.000 0.000 9.785) 9.785 32.591 ( 0.000 0.000 -6.316) 6.316 32.591 ( 0.000 0.000 6.316) 6.316 32.692 ( 0.000 0.000 -4.821) 4.821 32.692 ( 0.000 0.000 4.821) 4.821 33.605 ( 0.000 0.000 -0.854) 0.854 33.605 ( 0.000 0.000 0.854) 0.854 33.953 ( 0.000 0.000 -1.170) 1.170 33.953 ( 0.000 0.000 1.170) 1.170 34.342 ( 0.000 0.000 -7.212) 7.212 34.342 ( 0.000 0.000 7.212) 7.212 34.496 ( 0.000 0.000 -6.723) 6.723 34.496 ( 0.000 0.000 6.723) 6.723 ======================= Grid point 62 (26/30) ======================= q-point: ( 0.20 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 26 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.371 ( 0.358 0.000 -0.371) 0.516 2.371 ( 0.358 0.000 0.371) 0.516 2.468 ( 2.927 0.000 -4.201) 5.120 2.468 ( 2.927 0.000 4.201) 5.120 2.675 ( 13.033 0.000 -8.618) 15.625 2.675 ( 13.033 0.000 8.618) 15.625 2.761 ( 4.652 0.000 -2.662) 5.360 2.761 ( 4.652 0.000 2.662) 5.360 2.876 ( 12.719 0.000 -0.421) 12.726 2.876 ( 12.719 0.000 0.421) 12.726 3.324 ( -5.663 0.000 -11.158) 12.512 3.324 ( -5.663 0.000 11.158) 12.512 3.449 ( 2.693 0.000 -5.135) 5.798 3.449 ( 2.693 0.000 5.135) 5.798 3.657 ( -2.250 0.000 -0.099) 2.253 3.657 ( -2.250 0.000 0.099) 2.253 3.742 ( -1.284 0.000 -2.601) 2.901 3.742 ( -1.284 0.000 2.601) 2.901 3.810 ( 1.575 0.000 -0.769) 1.753 3.810 ( 1.575 0.000 0.769) 1.753 3.839 ( 1.305 0.000 -8.980) 9.074 3.839 ( 1.305 0.000 8.980) 9.074 3.931 ( 4.724 0.000 -2.026) 5.140 3.931 ( 4.724 0.000 2.026) 5.140 4.080 ( 3.550 0.000 -7.400) 8.207 4.080 ( 3.550 0.000 7.400) 8.207 4.120 ( -1.921 0.000 -0.864) 2.107 4.120 ( -1.921 0.000 0.864) 2.107 4.307 ( -0.070 0.000 -0.057) 0.090 4.307 ( -0.070 0.000 0.057) 0.090 4.403 ( 2.969 0.000 -1.570) 3.358 4.403 ( 2.969 0.000 1.570) 3.358 4.508 ( 1.206 0.000 -8.674) 8.757 4.508 ( 1.206 0.000 8.674) 8.757 4.753 ( -1.863 0.000 -12.850) 12.984 4.753 ( -1.863 0.000 12.850) 12.984 4.865 ( -1.973 0.000 -5.129) 5.495 4.865 ( -1.973 0.000 5.129) 5.495 4.975 ( -4.685 0.000 -0.024) 4.686 4.975 ( -4.685 0.000 0.024) 4.686 5.071 ( 1.841 0.000 -6.673) 6.923 5.071 ( 1.841 0.000 6.673) 6.923 5.126 ( -3.841 0.000 -3.780) 5.389 5.126 ( -3.841 0.000 3.780) 5.389 5.214 ( -7.651 0.000 -4.034) 8.650 5.214 ( -7.651 0.000 4.034) 8.650 5.360 ( 1.264 0.000 -2.029) 2.390 5.360 ( 1.264 0.000 2.029) 2.390 5.425 ( 3.814 0.000 -2.447) 4.531 5.425 ( 3.814 0.000 2.447) 4.531 5.550 ( -1.023 0.000 -4.484) 4.599 5.550 ( -1.023 0.000 4.484) 4.599 5.653 ( 5.982 0.000 -0.716) 6.025 5.653 ( 5.982 0.000 0.716) 6.025 5.748 ( 1.940 0.000 -0.454) 1.992 5.748 ( 1.940 0.000 0.454) 1.992 5.983 ( 1.774 0.000 -5.114) 5.413 5.983 ( 1.774 0.000 5.114) 5.413 6.108 ( -3.178 0.000 -2.728) 4.188 6.108 ( -3.178 0.000 2.728) 4.188 6.203 ( -1.489 0.000 -2.282) 2.725 6.203 ( -1.489 0.000 2.282) 2.725 6.289 ( -1.226 0.000 -4.774) 4.929 6.289 ( -1.226 0.000 4.774) 4.929 6.564 ( -8.638 0.000 -5.590) 10.289 6.564 ( -8.638 0.000 5.590) 10.289 6.660 ( -6.086 0.000 -0.102) 6.087 6.660 ( -6.086 0.000 0.102) 6.087 6.785 ( 7.126 0.000 -2.274) 7.480 6.785 ( 7.126 0.000 2.274) 7.480 6.858 ( 10.769 0.000 -11.601) 15.829 6.858 ( 10.769 0.000 11.601) 15.829 7.034 ( 4.294 0.000 -4.708) 6.372 7.034 ( 4.294 0.000 4.708) 6.372 7.265 ( 7.561 0.000 -10.666) 13.074 7.265 ( 7.561 0.000 10.666) 13.074 7.393 ( 7.618 0.000 -0.131) 7.619 7.393 ( 7.618 0.000 0.131) 7.619 7.570 ( -3.093 0.000 -9.020) 9.535 7.570 ( -3.093 0.000 9.020) 9.535 7.705 ( -0.257 0.000 -0.513) 0.574 7.705 ( -0.257 0.000 0.513) 0.574 7.820 ( 5.296 0.000 -1.124) 5.414 7.820 ( 5.296 0.000 1.124) 5.414 8.057 ( -0.431 0.000 -1.558) 1.617 8.057 ( -0.431 0.000 1.558) 1.617 8.121 ( 2.349 0.000 -1.945) 3.050 8.121 ( 2.349 0.000 1.945) 3.050 8.400 ( 3.026 0.000 -1.733) 3.487 8.400 ( 3.026 0.000 1.733) 3.487 8.462 ( 4.261 0.000 -0.565) 4.298 8.462 ( 4.261 0.000 0.565) 4.298 8.920 ( -6.288 0.000 -6.162) 8.803 8.920 ( -6.288 0.000 6.162) 8.803 9.141 ( -8.720 0.000 -6.555) 10.909 9.141 ( -8.720 0.000 6.555) 10.909 9.276 ( 2.528 0.000 -3.014) 3.934 9.276 ( 2.528 0.000 3.014) 3.934 9.328 ( -3.772 0.000 -5.019) 6.279 9.328 ( -3.772 0.000 5.019) 6.279 9.427 ( -14.751 0.000 -0.831) 14.774 9.427 ( -14.751 0.000 0.831) 14.774 9.764 ( 0.668 0.000 -2.066) 2.171 9.764 ( 0.668 0.000 2.066) 2.171 9.971 ( -2.359 0.000 -2.563) 3.483 9.971 ( -2.359 0.000 2.563) 3.483 10.139 ( -2.040 0.000 -7.766) 8.030 10.139 ( -2.040 0.000 7.766) 8.030 10.498 ( 2.105 0.000 -7.611) 7.897 10.498 ( 2.105 0.000 7.611) 7.897 10.616 ( 0.726 0.000 -1.921) 2.053 10.616 ( 0.726 0.000 1.921) 2.053 10.665 ( -4.883 0.000 -7.232) 8.726 10.665 ( -4.883 0.000 7.232) 8.726 10.757 ( 0.350 0.000 -0.636) 0.727 10.757 ( 0.350 0.000 0.636) 0.727 11.064 ( 4.065 0.000 -0.479) 4.093 11.064 ( 4.065 0.000 0.479) 4.093 11.157 ( -2.137 0.000 -10.432) 10.649 11.157 ( -2.137 0.000 10.432) 10.649 11.278 ( 5.774 0.000 -5.390) 7.899 11.278 ( 5.774 0.000 5.390) 7.899 11.364 ( -2.997 0.000 -8.896) 9.387 11.364 ( -2.997 0.000 8.896) 9.387 11.915 ( 2.134 0.000 -0.504) 2.193 11.915 ( 2.134 0.000 0.504) 2.193 11.950 ( 3.479 0.000 -0.013) 3.479 11.950 ( 3.479 0.000 0.013) 3.479 12.318 ( 4.455 0.000 -0.000) 4.455 12.318 ( 4.455 0.000 0.000) 4.455 12.439 ( 2.181 0.000 -0.000) 2.181 12.439 ( 2.181 0.000 0.000) 2.181 13.050 ( -2.728 0.000 -9.461) 9.847 13.050 ( -2.728 0.000 9.461) 9.847 13.132 ( 1.280 0.000 -9.962) 10.043 13.132 ( 1.280 0.000 9.962) 10.043 13.159 ( -6.624 0.000 -2.494) 7.078 13.159 ( -6.624 0.000 2.494) 7.078 13.207 ( -8.575 0.000 -0.439) 8.586 13.207 ( -8.575 0.000 0.439) 8.586 13.455 ( -0.445 0.000 -8.681) 8.692 13.455 ( -0.445 0.000 8.681) 8.692 13.567 ( -4.500 0.000 -6.780) 8.138 13.567 ( -4.500 0.000 6.780) 8.138 14.100 ( 7.658 0.000 -8.828) 11.687 14.100 ( 7.658 0.000 8.828) 11.687 14.133 ( 7.362 0.000 -6.295) 9.687 14.133 ( 7.362 0.000 6.295) 9.687 14.621 ( -3.458 0.000 -0.950) 3.586 14.621 ( -3.458 0.000 0.950) 3.586 14.867 ( 4.358 0.000 -0.234) 4.364 14.867 ( 4.358 0.000 0.234) 4.364 15.039 ( -2.910 0.000 -1.716) 3.379 15.039 ( -2.910 0.000 1.716) 3.379 15.049 ( -4.454 0.000 -2.556) 5.135 15.049 ( -4.454 0.000 2.556) 5.135 15.974 ( 0.470 0.000 -0.883) 1.001 15.974 ( 0.470 0.000 0.883) 1.001 16.120 ( -3.382 0.000 -0.823) 3.480 16.120 ( -3.382 0.000 0.823) 3.480 16.244 ( 1.752 0.000 -1.185) 2.115 16.244 ( 1.752 0.000 1.185) 2.115 16.290 ( -0.159 0.000 -0.829) 0.844 16.290 ( -0.159 0.000 0.829) 0.844 16.323 ( 1.819 0.000 -2.092) 2.772 16.323 ( 1.819 0.000 2.092) 2.772 16.585 ( -3.021 0.000 -1.934) 3.587 16.585 ( -3.021 0.000 1.934) 3.587 16.859 ( -4.691 0.000 -1.034) 4.804 16.859 ( -4.691 0.000 1.034) 4.804 17.211 ( -1.676 0.000 -13.557) 13.661 17.211 ( -1.676 0.000 13.557) 13.661 17.264 ( -1.033 0.000 -13.790) 13.828 17.264 ( -1.033 0.000 13.790) 13.828 17.576 ( 0.154 0.000 -2.291) 2.296 17.576 ( 0.154 0.000 2.291) 2.296 17.763 ( -4.619 0.000 -6.781) 8.205 17.763 ( -4.619 0.000 6.781) 8.205 17.857 ( -0.688 0.000 -7.514) 7.546 17.857 ( -0.688 0.000 7.514) 7.546 18.106 ( -1.832 0.000 -0.599) 1.927 18.106 ( -1.832 0.000 0.599) 1.927 18.225 ( -2.324 0.000 -0.733) 2.437 18.225 ( -2.324 0.000 0.733) 2.437 18.402 ( -4.566 0.000 -1.121) 4.702 18.402 ( -4.566 0.000 1.121) 4.702 18.509 ( 2.055 0.000 -0.884) 2.237 18.509 ( 2.055 0.000 0.884) 2.237 18.738 ( 5.687 0.000 -1.712) 5.939 18.738 ( 5.687 0.000 1.712) 5.939 18.782 ( 6.102 0.000 -1.663) 6.324 18.782 ( 6.102 0.000 1.663) 6.324 26.132 ( 0.431 0.000 -1.298) 1.368 26.132 ( 0.431 0.000 1.298) 1.368 26.251 ( 0.422 0.000 -0.260) 0.495 26.251 ( 0.422 0.000 0.260) 0.495 27.455 ( 1.695 0.000 -0.366) 1.734 27.455 ( 1.695 0.000 0.366) 1.734 27.501 ( 1.021 0.000 -2.406) 2.613 27.501 ( 1.021 0.000 2.406) 2.613 27.988 ( 1.471 0.000 -0.234) 1.489 27.988 ( 1.471 0.000 0.234) 1.489 28.159 ( -1.045 0.000 -0.661) 1.236 28.159 ( -1.045 0.000 0.661) 1.236 28.691 ( 5.623 0.000 -1.289) 5.769 28.691 ( 5.623 0.000 1.289) 5.769 28.698 ( 6.182 0.000 -1.670) 6.404 28.698 ( 6.182 0.000 1.670) 6.404 28.947 ( 1.680 0.000 -1.581) 2.307 28.947 ( 1.680 0.000 1.581) 2.307 29.177 ( -1.702 0.000 -3.767) 4.134 29.177 ( -1.702 0.000 3.767) 4.134 29.683 ( -2.990 0.000 -3.014) 4.246 29.683 ( -2.990 0.000 3.014) 4.246 29.762 ( -3.923 0.000 -5.808) 7.009 29.762 ( -3.923 0.000 5.808) 7.009 30.423 ( 7.036 0.000 -0.666) 7.068 30.423 ( 7.036 0.000 0.666) 7.068 31.584 ( 2.194 0.000 -1.713) 2.784 31.584 ( 2.194 0.000 1.713) 2.784 31.588 ( 3.411 0.000 -3.575) 4.941 31.588 ( 3.411 0.000 3.575) 4.941 31.815 ( 0.549 0.000 -5.784) 5.810 31.815 ( 0.549 0.000 5.784) 5.810 31.936 ( -0.637 0.000 -0.280) 0.695 31.936 ( -0.637 0.000 0.280) 0.695 32.051 ( -4.028 0.000 -8.936) 9.802 32.051 ( -4.028 0.000 8.936) 9.802 32.551 ( -3.424 0.000 -4.640) 5.766 32.551 ( -3.424 0.000 4.640) 5.766 32.684 ( -0.768 0.000 -3.669) 3.749 32.684 ( -0.768 0.000 3.669) 3.749 33.588 ( -1.363 0.000 -0.736) 1.549 33.588 ( -1.363 0.000 0.736) 1.549 33.978 ( 2.395 0.000 -1.386) 2.767 33.978 ( 2.395 0.000 1.386) 2.767 34.296 ( -3.916 0.000 -5.712) 6.925 34.296 ( -3.916 0.000 5.712) 6.925 34.456 ( -3.497 0.000 -5.665) 6.657 34.456 ( -3.497 0.000 5.665) 6.657 ======================= Grid point 64 (27/30) ======================= q-point: ( 0.40 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 26 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.381 ( 0.518 0.000 -0.503) 0.722 2.381 ( 0.518 0.000 0.503) 0.722 2.524 ( 1.721 0.000 -1.115) 2.051 2.524 ( 1.721 0.000 1.115) 2.051 2.799 ( 2.005 0.000 -3.468) 4.006 2.799 ( 2.005 0.000 3.468) 4.006 2.918 ( 8.888 0.000 -11.916) 14.866 2.918 ( 8.888 0.000 11.916) 14.866 3.087 ( -4.005 0.000 -3.139) 5.088 3.087 ( -4.005 0.000 3.139) 5.088 3.242 ( 1.659 0.000 -10.790) 10.917 3.242 ( 1.659 0.000 10.790) 10.917 3.576 ( -0.024 0.000 -3.429) 3.429 3.576 ( -0.024 0.000 3.429) 3.429 3.646 ( 9.812 0.000 -7.044) 12.079 3.646 ( 9.812 0.000 7.044) 12.079 3.765 ( 4.363 0.000 -3.155) 5.385 3.765 ( 4.363 0.000 3.155) 5.385 3.836 ( 1.056 0.000 -6.658) 6.741 3.836 ( 1.056 0.000 6.658) 6.741 3.885 ( 2.434 0.000 -4.994) 5.556 3.885 ( 2.434 0.000 4.994) 5.556 4.010 ( 2.205 0.000 -4.140) 4.691 4.010 ( 2.205 0.000 4.140) 4.691 4.059 ( -3.249 0.000 -0.320) 3.265 4.059 ( -3.249 0.000 0.320) 3.265 4.082 ( -2.587 0.000 -0.905) 2.740 4.082 ( -2.587 0.000 0.905) 2.740 4.331 ( -3.073 0.000 -2.070) 3.705 4.331 ( -3.073 0.000 2.070) 3.705 4.444 ( -0.031 0.000 -3.125) 3.126 4.444 ( -0.031 0.000 3.125) 3.126 4.563 ( 6.534 0.000 -5.476) 8.526 4.563 ( 6.534 0.000 5.476) 8.526 4.701 ( 1.144 0.000 -0.750) 1.368 4.701 ( 1.144 0.000 0.750) 1.368 4.769 ( -8.549 0.000 -1.540) 8.687 4.769 ( -8.549 0.000 1.540) 8.687 4.893 ( -10.340 0.000 -1.920) 10.517 4.893 ( -10.340 0.000 1.920) 10.517 4.988 ( 7.068 0.000 -8.043) 10.707 4.988 ( 7.068 0.000 8.043) 10.707 5.142 ( -0.352 0.000 -11.025) 11.031 5.142 ( -0.352 0.000 11.025) 11.031 5.184 ( 0.933 0.000 -4.365) 4.463 5.184 ( 0.933 0.000 4.365) 4.463 5.357 ( -1.794 0.000 -0.667) 1.914 5.357 ( -1.794 0.000 0.667) 1.914 5.437 ( -2.777 0.000 -4.325) 5.140 5.437 ( -2.776 0.000 4.325) 5.140 5.594 ( 6.592 0.000 -1.683) 6.803 5.594 ( 6.592 0.000 1.683) 6.803 5.727 ( -2.015 0.000 -4.381) 4.822 5.727 ( -2.015 0.000 4.381) 4.822 5.802 ( 1.393 0.000 -4.086) 4.317 5.802 ( 1.393 0.000 4.086) 4.317 5.867 ( -3.659 0.000 -0.043) 3.659 5.867 ( -3.659 0.000 0.043) 3.659 6.091 ( -0.948 0.000 -0.994) 1.374 6.091 ( -0.948 0.000 0.994) 1.374 6.227 ( 3.547 0.000 -4.307) 5.579 6.227 ( 3.547 0.000 4.307) 5.579 6.354 ( 2.868 0.000 -6.469) 7.076 6.354 ( 2.868 0.000 6.469) 7.076 6.433 ( -1.769 0.000 -2.546) 3.100 6.433 ( -1.769 0.000 2.546) 3.100 6.528 ( -6.004 0.000 -1.414) 6.168 6.528 ( -6.004 0.000 1.414) 6.168 6.946 ( 6.090 0.000 -0.007) 6.090 6.946 ( 6.090 0.000 0.007) 6.090 7.023 ( 3.413 0.000 -6.957) 7.749 7.023 ( 3.413 0.000 6.957) 7.749 7.106 ( 2.013 0.000 -1.280) 2.385 7.106 ( 2.013 0.000 1.280) 2.385 7.359 ( 1.252 0.000 -2.846) 3.110 7.359 ( 1.252 0.000 2.847) 3.110 7.534 ( 4.306 0.000 -2.175) 4.824 7.534 ( 4.306 0.000 2.175) 4.824 7.597 ( 5.223 0.000 -2.570) 5.821 7.597 ( 5.223 0.000 2.570) 5.821 7.716 ( 0.836 0.000 -4.907) 4.978 7.716 ( 0.836 0.000 4.907) 4.978 7.851 ( -5.941 0.000 -0.868) 6.004 7.851 ( -5.941 0.000 0.868) 6.004 7.971 ( 1.434 0.000 -4.015) 4.263 7.971 ( 1.434 0.000 4.015) 4.263 8.260 ( 4.204 0.000 -0.206) 4.209 8.260 ( 4.204 0.000 0.206) 4.209 8.442 ( 2.024 0.000 -1.472) 2.503 8.442 ( 2.024 0.000 1.472) 2.503 8.526 ( 0.618 0.000 -9.186) 9.206 8.526 ( 0.618 0.000 9.186) 9.206 8.792 ( -2.542 0.000 -0.929) 2.707 8.792 ( -2.542 0.000 0.929) 2.707 8.994 ( -10.325 0.000 -3.807) 11.005 8.994 ( -10.325 0.000 3.807) 11.005 9.141 ( -4.115 0.000 -1.455) 4.365 9.141 ( -4.115 0.000 1.455) 4.365 9.273 ( -0.170 0.000 -3.651) 3.655 9.273 ( -0.170 0.000 3.651) 3.655 9.323 ( -0.124 0.000 -0.000) 0.124 9.323 ( -0.124 0.000 0.000) 0.124 9.736 ( -2.362 0.000 -1.935) 3.054 9.736 ( -2.362 0.000 1.935) 3.054 9.948 ( 1.567 0.000 -3.925) 4.227 9.948 ( 1.567 0.000 3.925) 4.227 10.068 ( -4.790 0.000 -12.591) 13.471 10.068 ( -4.790 0.000 12.591) 13.471 10.498 ( 0.696 0.000 -0.201) 0.724 10.498 ( 0.696 0.000 0.201) 0.724 10.612 ( -0.735 0.000 -1.684) 1.838 10.612 ( -0.735 0.000 1.684) 1.838 10.692 ( 3.727 0.000 -0.337) 3.742 10.692 ( 3.727 0.000 0.337) 3.742 10.793 ( 1.951 0.000 -8.183) 8.413 10.793 ( 1.951 0.000 8.183) 8.413 10.993 ( -6.741 0.000 -9.251) 11.446 10.993 ( -6.741 0.000 9.251) 11.446 11.150 ( -0.277 0.000 -0.123) 0.303 11.150 ( -0.277 0.000 0.123) 0.303 11.350 ( 1.569 0.000 -0.375) 1.613 11.350 ( 1.569 0.000 0.375) 1.613 11.363 ( 1.666 0.000 -0.068) 1.667 11.363 ( 1.666 0.000 0.068) 1.667 11.940 ( 1.191 0.000 -0.472) 1.281 11.940 ( 1.191 0.000 0.472) 1.281 12.069 ( 4.350 0.000 -0.018) 4.350 12.069 ( 4.350 0.000 0.018) 4.350 12.365 ( 1.057 0.000 -0.173) 1.071 12.365 ( 1.057 0.000 0.173) 1.071 12.550 ( 5.977 0.000 -0.005) 5.977 12.550 ( 5.977 0.000 0.005) 5.977 12.924 ( -5.530 0.000 -0.017) 5.530 12.924 ( -5.530 0.000 0.017) 5.530 12.977 ( -9.319 0.000 -0.211) 9.322 12.977 ( -9.319 0.000 0.211) 9.322 13.096 ( -0.369 0.000 -3.404) 3.424 13.096 ( -0.369 0.000 3.404) 3.424 13.180 ( 1.071 0.000 -6.342) 6.432 13.180 ( 1.071 0.000 6.342) 6.432 13.450 ( -0.112 0.000 -4.268) 4.270 13.450 ( -0.112 0.000 4.268) 4.270 13.507 ( -1.403 0.000 -3.064) 3.370 13.507 ( -1.403 0.000 3.064) 3.370 14.228 ( 3.737 0.000 -3.911) 5.409 14.228 ( 3.737 0.000 3.911) 5.409 14.263 ( 3.682 0.000 -1.889) 4.138 14.263 ( 3.682 0.000 1.889) 4.138 14.570 ( -1.264 0.000 -0.595) 1.397 14.570 ( -1.264 0.000 0.595) 1.397 14.934 ( 0.735 0.000 -0.330) 0.805 14.934 ( 0.735 0.000 0.330) 0.805 14.950 ( -2.113 0.000 -1.753) 2.746 14.950 ( -2.113 0.000 1.753) 2.746 14.990 ( -1.758 0.000 -0.062) 1.759 14.990 ( -1.758 0.000 0.062) 1.759 15.983 ( 0.350 0.000 -0.523) 0.629 15.983 ( 0.350 0.000 0.523) 0.629 16.063 ( -1.696 0.000 -0.437) 1.751 16.063 ( -1.696 0.000 0.437) 1.751 16.267 ( 0.685 0.000 -0.203) 0.714 16.267 ( 0.685 0.000 0.203) 0.714 16.286 ( -0.368 0.000 -0.930) 1.000 16.286 ( -0.368 0.000 0.930) 1.000 16.378 ( 2.733 0.000 -0.914) 2.882 16.378 ( 2.733 0.000 0.914) 2.882 16.514 ( -3.079 0.000 -0.813) 3.184 16.514 ( -3.079 0.000 0.813) 3.184 16.773 ( -2.536 0.000 -0.817) 2.664 16.773 ( -2.536 0.000 0.817) 2.664 17.172 ( -1.460 0.000 -4.485) 4.716 17.172 ( -1.460 0.000 4.485) 4.716 17.205 ( -3.030 0.000 -4.250) 5.220 17.205 ( -3.030 0.000 4.250) 5.220 17.570 ( -0.018 0.000 -1.129) 1.130 17.570 ( -0.018 0.000 1.129) 1.130 17.729 ( 0.489 0.000 -1.430) 1.511 17.729 ( 0.489 0.000 1.430) 1.511 17.884 ( 1.832 0.000 -2.503) 3.102 17.884 ( 1.832 0.000 2.503) 3.102 18.072 ( -1.791 0.000 -0.828) 1.974 18.072 ( -1.791 0.000 0.828) 1.974 18.181 ( 0.013 0.000 -0.680) 0.680 18.181 ( 0.013 0.000 0.680) 0.680 18.296 ( -4.682 0.000 -0.953) 4.778 18.296 ( -4.682 0.000 0.953) 4.778 18.545 ( 1.044 0.000 -0.565) 1.187 18.545 ( 1.044 0.000 0.565) 1.187 18.839 ( 2.912 0.000 -0.714) 2.998 18.839 ( 2.912 0.000 0.714) 2.998 18.881 ( 2.654 0.000 -0.616) 2.725 18.881 ( 2.654 0.000 0.616) 2.725 26.139 ( 0.222 0.000 -0.507) 0.553 26.139 ( 0.222 0.000 0.507) 0.553 26.259 ( 0.214 0.000 -0.043) 0.218 26.259 ( 0.214 0.000 0.043) 0.218 27.491 ( 1.331 0.000 -0.247) 1.353 27.491 ( 1.331 0.000 0.247) 1.353 27.517 ( 0.237 0.000 -1.292) 1.314 27.517 ( 0.237 0.000 1.292) 1.314 28.017 ( 0.979 0.000 -0.196) 0.998 28.017 ( 0.979 0.000 0.196) 0.998 28.138 ( -0.718 0.000 -0.305) 0.780 28.138 ( -0.718 0.000 0.305) 0.780 28.803 ( 3.498 0.000 -0.373) 3.518 28.803 ( 3.498 0.000 0.373) 3.518 28.818 ( 3.679 0.000 -0.824) 3.770 28.818 ( 3.679 0.000 0.824) 3.770 28.999 ( 2.739 0.000 -1.598) 3.171 28.999 ( 2.739 0.000 1.598) 3.171 29.142 ( -1.302 0.000 -1.625) 2.083 29.142 ( -1.302 0.000 1.625) 2.083 29.611 ( -2.771 0.000 -1.590) 3.195 29.611 ( -2.771 0.000 1.590) 3.195 29.684 ( -2.572 0.000 -2.252) 3.419 29.684 ( -2.572 0.000 2.252) 3.419 30.561 ( 4.402 0.000 -0.596) 4.442 30.561 ( 4.402 0.000 0.596) 4.442 31.631 ( 1.688 0.000 -0.020) 1.688 31.631 ( 1.688 0.000 0.020) 1.688 31.678 ( 4.349 0.000 -1.305) 4.540 31.678 ( 4.349 0.000 1.305) 4.540 31.807 ( -1.856 0.000 -2.197) 2.876 31.807 ( -1.856 0.000 2.197) 2.876 31.918 ( -0.772 0.000 -0.409) 0.874 31.918 ( -0.772 0.000 0.409) 0.874 31.970 ( -2.379 0.000 -3.823) 4.503 31.970 ( -2.379 0.000 3.823) 4.503 32.481 ( -2.292 0.000 -1.657) 2.829 32.481 ( -2.292 0.000 1.657) 2.829 32.666 ( -0.706 0.000 -1.428) 1.593 32.666 ( -0.706 0.000 1.428) 1.593 33.562 ( -0.774 0.000 -0.318) 0.836 33.562 ( -0.774 0.000 0.318) 0.836 34.041 ( 2.891 0.000 -1.307) 3.173 34.041 ( 2.891 0.000 1.307) 3.173 34.210 ( -3.399 0.000 -2.518) 4.230 34.210 ( -3.399 0.000 2.518) 4.230 34.381 ( -2.618 0.000 -2.409) 3.558 34.381 ( -2.618 0.000 2.409) 3.558 ======================= Grid point 70 (28/30) ======================= q-point: ( 0.00 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 24 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.273 ( 0.000 -6.869 -0.017) 6.869 2.273 ( 0.000 -6.869 0.017) 6.869 2.374 ( 0.000 0.158 -3.335) 3.339 2.374 ( 0.000 0.158 3.335) 3.339 2.484 ( 0.000 -0.284 -2.463) 2.480 2.484 ( 0.000 -0.284 2.463) 2.480 2.734 ( 0.000 3.078 -4.286) 5.277 2.734 ( 0.000 3.078 4.286) 5.277 2.886 ( 0.000 6.933 -6.969) 9.830 2.886 ( 0.000 6.933 6.969) 9.830 3.234 ( 0.000 -10.803 -1.891) 10.967 3.234 ( 0.000 -10.803 1.891) 10.967 3.577 ( 0.000 7.284 -3.664) 8.154 3.577 ( 0.000 7.284 3.664) 8.154 3.638 ( 0.000 0.393 -1.655) 1.701 3.638 ( 0.000 0.393 1.655) 1.701 3.735 ( 0.000 -1.513 -2.866) 3.241 3.735 ( 0.000 -1.513 2.866) 3.241 3.819 ( 0.000 1.456 -2.548) 2.935 3.819 ( 0.000 1.456 2.548) 2.935 3.845 ( 0.000 0.326 -1.196) 1.239 3.845 ( 0.000 0.326 1.196) 1.239 3.922 ( 0.000 0.498 -5.466) 5.489 3.922 ( 0.000 0.498 5.466) 5.489 3.980 ( 0.000 -3.088 -4.452) 5.418 3.980 ( 0.000 -3.088 4.452) 5.418 4.159 ( 0.000 6.209 -8.375) 10.425 4.159 ( 0.000 6.209 8.375) 10.425 4.310 ( 0.000 -3.428 -8.330) 9.008 4.310 ( 0.000 -3.428 8.330) 9.008 4.466 ( 0.000 9.689 -0.377) 9.696 4.466 ( 0.000 9.689 0.377) 9.696 4.669 ( 0.000 7.790 -0.649) 7.817 4.669 ( 0.000 7.790 0.649) 7.817 4.775 ( 0.000 3.381 -6.492) 7.320 4.775 ( 0.000 3.381 6.492) 7.320 4.841 ( 0.000 -5.124 -1.725) 5.406 4.841 ( 0.000 -5.124 1.725) 5.406 4.958 ( 0.000 -6.385 -7.429) 9.796 4.958 ( 0.000 -6.385 7.429) 9.796 5.006 ( 0.000 0.528 -2.045) 2.112 5.006 ( 0.000 0.528 2.045) 2.112 5.091 ( 0.000 -7.707 -0.236) 7.710 5.091 ( 0.000 -7.707 0.236) 7.710 5.238 ( 0.000 -5.015 -0.099) 5.016 5.238 ( 0.000 -5.015 0.099) 5.016 5.340 ( 0.000 -3.379 -2.432) 4.163 5.340 ( 0.000 -3.379 2.432) 4.163 5.455 ( 0.000 3.367 -0.555) 3.412 5.455 ( 0.000 3.367 0.555) 3.412 5.518 ( 0.000 0.303 -0.419) 0.516 5.518 ( 0.000 0.303 0.419) 0.516 5.591 ( 0.000 5.166 -3.595) 6.294 5.591 ( 0.000 5.166 3.595) 6.294 5.758 ( 0.000 -5.661 -3.068) 6.439 5.758 ( 0.000 -5.661 3.068) 6.439 5.831 ( 0.000 -0.460 -0.731) 0.864 5.831 ( 0.000 -0.460 0.731) 0.864 5.963 ( 0.000 -5.258 -6.225) 8.149 5.963 ( 0.000 -5.258 6.225) 8.149 6.405 ( 0.000 6.276 -2.103) 6.619 6.405 ( 0.000 6.276 2.103) 6.619 6.462 ( 0.000 2.950 -9.044) 9.513 6.462 ( 0.000 2.950 9.044) 9.513 6.532 ( 0.000 -0.943 -6.876) 6.940 6.532 ( 0.000 -0.943 6.876) 6.940 6.622 ( 0.000 -6.609 -1.099) 6.700 6.622 ( 0.000 -6.609 1.099) 6.700 6.679 ( 0.000 -2.637 -10.135) 10.472 6.679 ( 0.000 -2.637 10.135) 10.472 6.910 ( 0.000 7.646 -0.336) 7.653 6.910 ( 0.000 7.646 0.336) 7.653 7.073 ( 0.000 5.165 -2.679) 5.818 7.073 ( 0.000 5.165 2.679) 5.818 7.203 ( 0.000 -0.889 -1.531) 1.770 7.203 ( 0.000 -0.889 1.531) 1.770 7.220 ( 0.000 -1.490 -5.757) 5.947 7.220 ( 0.000 -1.490 5.757) 5.947 7.627 ( 0.000 -0.604 -5.794) 5.825 7.627 ( 0.000 -0.604 5.794) 5.825 7.737 ( 0.000 1.862 -4.254) 4.644 7.737 ( 0.000 1.862 4.254) 4.644 7.767 ( 0.000 1.553 -1.091) 1.898 7.767 ( 0.000 1.553 1.091) 1.898 7.963 ( 0.000 -1.427 -4.949) 5.151 7.963 ( 0.000 -1.427 4.949) 5.151 8.154 ( 0.000 0.202 -1.382) 1.396 8.154 ( 0.000 0.202 1.382) 1.396 8.321 ( 0.000 -1.101 -0.138) 1.109 8.321 ( 0.000 -1.101 0.138) 1.109 8.425 ( 0.000 -0.595 -0.611) 0.853 8.425 ( 0.000 -0.595 0.611) 0.853 8.990 ( 0.000 -0.204 -3.214) 3.220 8.990 ( 0.000 -0.204 3.214) 3.220 9.225 ( 0.000 -0.160 -6.447) 6.449 9.225 ( 0.000 -0.160 6.447) 6.449 9.227 ( 0.000 -1.714 -2.140) 2.742 9.227 ( 0.000 -1.714 2.140) 2.742 9.414 ( 0.000 0.451 -2.441) 2.482 9.414 ( 0.000 0.451 2.441) 2.482 9.611 ( 0.000 -0.329 -0.301) 0.446 9.611 ( 0.000 -0.329 0.301) 0.446 9.752 ( 0.000 1.022 -0.599) 1.185 9.752 ( 0.000 1.022 0.599) 1.185 9.984 ( 0.000 0.336 -0.174) 0.378 9.984 ( 0.000 0.336 0.174) 0.378 10.167 ( 0.000 0.125 -1.934) 1.938 10.167 ( 0.000 0.125 1.934) 1.938 10.462 ( 0.000 -0.227 -6.662) 6.666 10.462 ( 0.000 -0.227 6.662) 6.666 10.608 ( 0.000 -0.668 -1.224) 1.395 10.608 ( 0.000 -0.668 1.224) 1.395 10.727 ( 0.000 2.910 -2.972) 4.159 10.727 ( 0.000 2.910 2.972) 4.159 10.800 ( 0.000 -3.633 -6.962) 7.853 10.800 ( 0.000 -3.633 6.962) 7.853 11.012 ( 0.000 4.841 -9.683) 10.825 11.012 ( 0.000 4.841 9.683) 10.825 11.113 ( 0.000 -4.618 -6.396) 7.889 11.113 ( 0.000 -4.618 6.396) 7.889 11.218 ( 0.000 0.596 -0.140) 0.612 11.218 ( 0.000 0.596 0.140) 0.612 11.392 ( 0.000 -0.757 -4.322) 4.387 11.392 ( 0.000 -0.757 4.322) 4.387 11.806 ( 0.000 -2.309 -0.460) 2.354 11.806 ( 0.000 -2.309 0.460) 2.354 12.025 ( 0.000 3.454 -2.204) 4.098 12.025 ( 0.000 3.454 2.204) 4.098 12.239 ( 0.000 -0.707 -0.090) 0.713 12.239 ( 0.000 -0.707 0.090) 0.713 12.433 ( 0.000 0.231 -0.116) 0.258 12.433 ( 0.000 0.231 0.116) 0.258 13.055 ( 0.000 -0.914 -0.082) 0.917 13.055 ( 0.000 -0.914 0.082) 0.917 13.127 ( 0.000 1.252 -0.088) 1.255 13.127 ( 0.000 1.252 0.088) 1.255 13.240 ( 0.000 -0.662 -1.189) 1.361 13.240 ( 0.000 -0.662 1.189) 1.361 13.322 ( 0.000 0.702 -0.652) 0.959 13.322 ( 0.000 0.702 0.652) 0.959 13.489 ( 0.000 1.710 -5.977) 6.217 13.489 ( 0.000 1.710 5.977) 6.217 13.635 ( 0.000 -1.205 -3.833) 4.018 13.635 ( 0.000 -1.205 3.833) 4.018 13.984 ( 0.000 0.405 -6.396) 6.409 13.984 ( 0.000 0.405 6.396) 6.409 14.035 ( 0.000 -0.404 -6.410) 6.422 14.035 ( 0.000 -0.404 6.410) 6.422 14.670 ( 0.000 -0.633 -0.378) 0.738 14.670 ( 0.000 -0.633 0.378) 0.738 14.801 ( 0.000 0.214 -0.055) 0.221 14.801 ( 0.000 0.214 0.055) 0.221 15.072 ( 0.000 0.141 -1.008) 1.017 15.072 ( 0.000 0.141 1.008) 1.017 15.103 ( 0.000 -0.137 -1.832) 1.837 15.103 ( 0.000 -0.137 1.832) 1.837 15.966 ( 0.000 -0.097 -0.445) 0.455 15.966 ( 0.000 -0.097 0.445) 0.455 16.186 ( 0.000 0.343 -0.019) 0.343 16.186 ( 0.000 0.343 0.019) 0.343 16.210 ( 0.000 0.612 -0.973) 1.149 16.210 ( 0.000 0.612 0.973) 1.149 16.287 ( 0.000 -0.425 -0.054) 0.429 16.287 ( 0.000 -0.425 0.054) 0.429 16.299 ( 0.000 -0.400 -1.603) 1.652 16.299 ( 0.000 -0.400 1.603) 1.652 16.622 ( 0.000 0.138 -0.996) 1.005 16.622 ( 0.000 0.138 0.996) 1.005 16.917 ( 0.000 0.033 -0.047) 0.057 16.917 ( 0.000 0.033 0.047) 0.057 17.218 ( 0.000 -0.812 -2.856) 2.970 17.218 ( 0.000 -0.812 2.856) 2.970 17.275 ( 0.000 0.718 -2.551) 2.650 17.275 ( 0.000 0.718 2.551) 2.650 17.559 ( 0.000 0.025 -0.547) 0.547 17.559 ( 0.000 0.025 0.547) 0.547 17.803 ( 0.000 -1.747 -1.205) 2.122 17.803 ( 0.000 -1.747 1.205) 2.122 17.913 ( 0.000 0.626 -2.892) 2.959 17.913 ( 0.000 0.626 2.892) 2.959 18.151 ( 0.000 1.061 -0.586) 1.212 18.151 ( 0.000 1.061 0.586) 1.212 18.260 ( 0.000 1.121 -0.670) 1.306 18.260 ( 0.000 1.121 0.670) 1.306 18.456 ( 0.000 0.013 -2.926) 2.926 18.456 ( 0.000 0.013 2.926) 2.926 18.475 ( 0.000 -0.615 -2.761) 2.829 18.475 ( 0.000 -0.615 2.761) 2.829 18.660 ( 0.000 -0.351 -0.838) 0.909 18.660 ( 0.000 -0.351 0.838) 0.909 18.690 ( 0.000 -0.276 -0.954) 0.993 18.690 ( 0.000 -0.276 0.954) 0.993 26.142 ( 0.000 1.070 -0.824) 1.350 26.142 ( 0.000 1.070 0.824) 1.350 26.233 ( 0.000 -0.919 -0.176) 0.936 26.233 ( 0.000 -0.919 0.176) 0.936 27.447 ( 0.000 1.059 -1.128) 1.547 27.447 ( 0.000 1.059 1.128) 1.547 27.475 ( 0.000 -1.116 -2.164) 2.434 27.475 ( 0.000 -1.116 2.164) 2.434 27.971 ( 0.000 0.057 -0.063) 0.085 27.971 ( 0.000 0.057 0.063) 0.085 28.170 ( 0.000 -0.063 -0.392) 0.397 28.170 ( 0.000 -0.063 0.392) 0.397 28.621 ( 0.000 -0.060 -0.650) 0.653 28.621 ( 0.000 -0.060 0.650) 0.653 28.628 ( 0.000 0.075 -0.179) 0.194 28.628 ( 0.000 0.075 0.179) 0.194 28.934 ( 0.000 0.268 -0.702) 0.751 28.934 ( 0.000 0.268 0.702) 0.751 29.190 ( 0.000 -0.448 -2.149) 2.195 29.190 ( 0.000 -0.448 2.149) 2.195 29.726 ( 0.000 0.681 -2.126) 2.233 29.726 ( 0.000 0.681 2.126) 2.233 29.803 ( 0.000 -0.502 -4.688) 4.715 29.803 ( 0.000 -0.502 4.688) 4.715 30.337 ( 0.000 -0.007 -0.112) 0.112 30.337 ( 0.000 -0.007 0.112) 0.112 31.532 ( 0.000 -0.633 -0.668) 0.920 31.532 ( 0.000 -0.633 0.668) 0.920 31.579 ( 0.000 0.739 -0.281) 0.791 31.579 ( 0.000 0.739 0.281) 0.791 31.802 ( 0.000 -0.303 -3.187) 3.202 31.802 ( 0.000 -0.303 3.187) 3.202 31.944 ( 0.000 0.056 -0.033) 0.066 31.944 ( 0.000 0.056 0.033) 0.066 32.110 ( 0.000 0.765 -4.931) 4.990 32.110 ( 0.000 0.765 4.931) 4.990 32.585 ( 0.000 -0.379 -3.469) 3.489 32.585 ( 0.000 -0.379 3.469) 3.489 32.686 ( 0.000 -0.347 -2.263) 2.289 32.686 ( 0.000 -0.347 2.263) 2.289 33.608 ( 0.000 0.211 -0.442) 0.490 33.608 ( 0.000 0.211 0.442) 0.490 33.952 ( 0.000 -0.045 -0.596) 0.598 33.952 ( 0.000 -0.045 0.596) 0.598 34.328 ( 0.000 -0.791 -3.101) 3.200 34.328 ( 0.000 -0.791 3.101) 3.200 34.508 ( 0.000 0.610 -2.862) 2.926 34.508 ( 0.000 0.610 2.862) 2.926 ======================= Grid point 72 (29/30) ======================= q-point: ( 0.20 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 38 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.318 ( 3.761 -4.975 0.000) 6.237 2.352 ( 0.016 -1.300 0.000) 1.300 2.361 ( 0.484 -1.284 0.000) 1.372 2.366 ( 7.416 -8.425 -0.000) 11.223 2.686 ( 13.704 3.250 0.000) 14.084 2.692 ( 6.596 3.521 -0.000) 7.477 2.781 ( 2.710 1.416 -0.000) 3.057 2.814 ( 5.205 0.315 -0.000) 5.214 2.940 ( 15.022 7.823 0.000) 16.937 3.015 ( 13.381 3.827 0.000) 13.918 3.187 ( -1.426 -5.782 0.000) 5.956 3.280 ( 0.847 -12.962 0.000) 12.989 3.470 ( -6.132 5.539 0.000) 8.264 3.532 ( -4.999 2.964 0.000) 5.812 3.622 ( 2.188 7.205 0.000) 7.530 3.706 ( 1.018 -0.920 0.000) 1.373 3.717 ( -1.676 0.307 0.000) 1.704 3.759 ( -0.385 -2.035 0.000) 2.071 3.809 ( 3.573 -0.157 0.000) 3.576 3.837 ( 0.850 -0.773 0.000) 1.149 3.864 ( 1.165 1.707 -0.000) 2.067 3.870 ( 3.166 2.094 0.000) 3.796 3.952 ( 1.128 0.434 0.000) 1.208 3.966 ( 1.932 -1.940 0.000) 2.738 3.973 ( 4.346 6.531 -0.000) 7.845 4.048 ( 3.897 -6.075 0.000) 7.217 4.100 ( -0.307 -0.960 0.000) 1.008 4.247 ( 2.256 5.106 0.000) 5.582 4.332 ( -1.763 -2.985 0.000) 3.467 4.355 ( -6.966 7.168 0.000) 9.995 4.429 ( 6.675 0.053 0.000) 6.675 4.457 ( 2.714 5.126 0.000) 5.800 4.580 ( -5.569 13.226 0.000) 14.351 4.646 ( -2.673 0.886 0.000) 2.815 4.680 ( -6.545 -4.304 -0.000) 7.833 4.756 ( -2.355 -0.960 0.000) 2.543 4.834 ( -3.635 0.638 -0.000) 3.691 4.848 ( 2.769 -0.545 0.000) 2.822 4.931 ( -5.454 -1.695 -0.000) 5.711 4.998 ( 1.158 -5.116 -0.000) 5.246 5.002 ( 3.265 -5.127 0.000) 6.079 5.036 ( 0.677 -0.269 0.000) 0.729 5.091 ( 3.012 0.804 0.000) 3.118 5.123 ( -3.063 1.285 0.000) 3.322 5.173 ( -9.731 -7.046 0.000) 12.014 5.203 ( -4.770 -5.325 0.000) 7.149 5.255 ( 2.465 -5.666 -0.000) 6.179 5.268 ( -2.525 -1.916 0.000) 3.169 5.453 ( 3.260 1.552 0.000) 3.611 5.492 ( -3.353 -2.657 0.000) 4.278 5.525 ( 5.968 4.965 0.000) 7.763 5.557 ( 2.418 3.580 0.000) 4.320 5.627 ( 5.773 -1.171 0.000) 5.890 5.675 ( 4.251 -3.765 0.000) 5.679 5.737 ( 2.828 3.278 -0.000) 4.329 5.788 ( -0.190 2.241 0.000) 2.249 5.928 ( 2.383 -2.884 -0.000) 3.741 5.948 ( 8.419 -5.394 0.000) 9.999 5.971 ( 0.048 -4.578 -0.000) 4.578 5.977 ( -0.286 -3.139 0.000) 3.152 6.223 ( -11.597 5.379 0.000) 12.784 6.323 ( -3.540 6.445 0.000) 7.353 6.348 ( -10.301 -3.841 -0.000) 10.994 6.449 ( -6.882 -5.833 0.000) 9.022 6.505 ( 4.232 9.178 0.000) 10.107 6.536 ( -5.652 3.080 0.000) 6.437 6.611 ( -8.240 -0.851 -0.000) 8.284 6.680 ( 7.624 -8.260 0.000) 11.241 6.716 ( 11.535 -2.238 -0.000) 11.750 6.717 ( 6.294 -2.485 0.000) 6.767 6.896 ( 0.220 8.111 0.000) 8.114 6.994 ( 3.779 1.631 0.000) 4.116 7.064 ( 2.070 3.359 0.000) 3.946 7.090 ( 0.080 0.241 0.000) 0.254 7.255 ( 7.752 4.058 0.000) 8.750 7.316 ( 9.483 0.613 -0.000) 9.503 7.371 ( 9.508 0.174 0.000) 9.509 7.415 ( 9.411 -3.110 0.000) 9.912 7.557 ( -3.477 2.241 0.000) 4.136 7.592 ( -2.296 0.255 -0.000) 2.310 7.651 ( -1.619 0.755 0.000) 1.786 7.720 ( 0.426 -5.785 0.000) 5.800 7.825 ( 3.599 4.303 -0.000) 5.610 7.850 ( 5.932 0.814 0.000) 5.988 8.063 ( 2.101 0.811 -0.000) 2.252 8.068 ( -1.548 0.283 0.000) 1.574 8.094 ( -1.392 -0.517 -0.000) 1.485 8.118 ( 2.226 -1.486 0.000) 2.676 8.361 ( 4.854 1.458 0.000) 5.068 8.415 ( 6.927 -2.878 -0.000) 7.501 8.472 ( 4.318 1.240 0.000) 4.493 8.496 ( 4.653 0.995 -0.000) 4.758 8.916 ( -6.810 1.120 0.000) 6.901 8.937 ( -4.613 0.185 -0.000) 4.617 9.103 ( -8.603 -1.368 0.000) 8.711 9.120 ( -8.313 -2.521 -0.000) 8.687 9.248 ( 1.932 -0.425 -0.000) 1.978 9.265 ( 0.919 -1.543 -0.000) 1.796 9.349 ( -3.172 1.250 0.000) 3.409 9.349 ( -3.887 0.958 -0.000) 4.003 9.408 ( -14.330 -0.585 0.000) 14.342 9.419 ( -15.036 -1.172 0.000) 15.081 9.759 ( -0.124 0.809 0.000) 0.818 9.776 ( -0.021 -0.261 0.000) 0.262 9.979 ( -2.279 0.793 0.000) 2.413 9.984 ( -2.430 0.491 0.000) 2.479 10.138 ( -2.318 -0.003 -0.000) 2.318 10.139 ( -2.014 -0.054 0.000) 2.015 10.498 ( -0.190 0.374 -0.000) 0.419 10.506 ( 1.662 0.006 0.000) 1.662 10.615 ( 1.015 -0.081 -0.000) 1.018 10.617 ( 1.801 -0.192 0.000) 1.811 10.640 ( -3.725 0.623 0.000) 3.776 10.675 ( 0.164 -1.842 0.000) 1.849 10.763 ( -4.221 2.630 0.000) 4.973 10.791 ( 0.825 0.531 0.000) 0.981 10.998 ( 2.133 -1.633 0.000) 2.686 11.038 ( -2.821 -5.313 0.000) 6.015 11.121 ( 2.257 2.185 0.000) 3.141 11.164 ( 0.791 -1.855 0.000) 2.017 11.318 ( 5.635 1.698 -0.000) 5.885 11.325 ( 6.432 2.935 0.000) 7.070 11.350 ( -1.882 -1.102 0.000) 2.182 11.360 ( -0.610 -0.099 -0.000) 0.618 11.855 ( 5.471 -0.707 0.000) 5.516 11.888 ( 4.026 -3.037 0.000) 5.043 12.011 ( -0.322 3.613 0.000) 3.627 12.051 ( 1.901 6.212 0.000) 6.496 12.134 ( -2.151 -4.764 0.000) 5.228 12.262 ( -2.171 -9.480 0.000) 9.725 12.497 ( 8.170 5.774 0.000) 10.004 12.536 ( 6.182 1.754 0.000) 6.426 13.046 ( -0.806 1.311 -0.000) 1.539 13.089 ( 1.974 -2.301 -0.000) 3.032 13.109 ( -2.417 2.627 0.000) 3.570 13.139 ( -7.610 -0.971 0.000) 7.671 13.145 ( 0.172 -0.068 0.000) 0.185 13.145 ( -7.003 -0.892 -0.000) 7.060 13.203 ( -9.636 1.755 -0.000) 9.794 13.238 ( -8.016 -0.465 0.000) 8.030 13.453 ( -1.571 1.164 0.000) 1.956 13.474 ( -1.246 -0.023 -0.000) 1.246 13.560 ( -3.562 0.248 0.000) 3.571 13.571 ( -3.792 -0.325 -0.000) 3.806 14.083 ( 7.102 -0.319 0.000) 7.109 14.094 ( 8.230 -1.230 -0.000) 8.321 14.135 ( 6.904 1.018 0.000) 6.978 14.147 ( 7.651 0.038 -0.000) 7.651 14.615 ( -3.075 0.101 0.000) 3.076 14.623 ( -2.837 -0.340 0.000) 2.857 14.862 ( 3.997 0.004 0.000) 3.997 14.867 ( 4.209 -0.289 0.000) 4.219 15.036 ( -3.390 -0.044 -0.000) 3.390 15.038 ( -2.890 -0.140 -0.000) 2.894 15.050 ( -4.082 0.090 0.000) 4.083 15.051 ( -4.457 0.070 -0.000) 4.458 15.962 ( -0.020 -0.251 -0.000) 0.252 15.969 ( -0.107 -0.694 0.000) 0.703 16.144 ( -2.293 1.882 0.000) 2.966 16.149 ( -3.037 1.517 0.000) 3.395 16.238 ( 2.013 -0.146 0.000) 2.018 16.243 ( 1.320 -0.328 -0.000) 1.361 16.289 ( 0.120 -0.073 -0.000) 0.140 16.291 ( 0.506 -0.382 0.000) 0.634 16.310 ( 1.397 -0.310 0.000) 1.431 16.316 ( 1.792 -0.768 -0.000) 1.949 16.578 ( -3.712 0.035 -0.000) 3.712 16.586 ( -3.448 -0.438 0.000) 3.476 16.856 ( -4.837 -0.112 0.000) 4.838 16.857 ( -4.677 -0.150 -0.000) 4.679 17.213 ( -0.196 1.109 -0.000) 1.126 17.239 ( -2.342 1.422 0.000) 2.740 17.244 ( 0.154 -1.535 0.000) 1.542 17.260 ( -2.158 -0.615 -0.000) 2.244 17.573 ( -0.175 0.500 0.000) 0.530 17.584 ( 0.148 -0.142 -0.000) 0.205 17.742 ( -3.164 -0.948 0.000) 3.303 17.744 ( -3.369 -1.212 -0.000) 3.581 17.859 ( -1.744 0.707 0.000) 1.882 17.869 ( -1.653 -0.016 -0.000) 1.653 18.107 ( -1.762 0.564 0.000) 1.850 18.115 ( -2.353 0.103 0.000) 2.356 18.235 ( -2.642 1.226 0.000) 2.912 18.246 ( -2.810 0.580 -0.000) 2.870 18.392 ( -4.574 0.042 0.000) 4.574 18.403 ( -4.692 -0.593 -0.000) 4.730 18.499 ( 2.321 0.089 0.000) 2.323 18.510 ( 1.911 -0.567 0.000) 1.993 18.735 ( 6.041 0.398 -0.000) 6.054 18.748 ( 6.261 -0.203 0.000) 6.265 18.768 ( 5.835 -0.073 0.000) 5.835 18.780 ( 6.119 -0.654 0.000) 6.154 26.144 ( 0.322 1.026 -0.000) 1.075 26.147 ( 0.345 0.904 0.000) 0.968 26.238 ( 0.458 -0.804 0.000) 0.925 26.240 ( 0.477 -0.903 0.000) 1.022 27.465 ( 1.444 0.871 0.000) 1.687 27.466 ( 1.562 0.865 -0.000) 1.786 27.490 ( 1.160 -0.928 -0.000) 1.485 27.490 ( 1.279 -0.915 0.000) 1.573 27.989 ( 1.478 0.065 -0.114) 1.484 27.989 ( 1.478 0.065 0.114) 1.484 28.158 ( -1.030 -0.034 0.000) 1.031 28.158 ( -1.027 -0.064 -0.000) 1.029 28.690 ( 5.598 -0.045 0.000) 5.598 28.691 ( 5.869 -0.060 -0.000) 5.869 28.698 ( 5.866 0.080 -0.000) 5.866 28.699 ( 6.170 -0.008 0.000) 6.170 28.951 ( 1.712 0.399 -0.000) 1.757 28.953 ( 1.860 0.289 0.000) 1.882 29.169 ( -1.728 -0.380 0.000) 1.769 29.171 ( -1.568 -0.482 0.000) 1.640 29.684 ( -3.405 0.058 0.000) 3.405 29.684 ( -3.784 0.039 -0.000) 3.784 29.763 ( -3.648 0.092 0.000) 3.650 29.763 ( -3.250 0.072 -0.000) 3.251 30.422 ( 7.038 0.023 0.000) 7.038 30.423 ( 7.118 -0.059 -0.000) 7.119 31.565 ( 2.896 -0.573 0.000) 2.952 31.565 ( 2.763 -0.613 0.000) 2.831 31.608 ( 2.668 0.701 -0.000) 2.758 31.608 ( 2.869 0.666 0.000) 2.945 31.807 ( 0.434 -0.150 -0.000) 0.460 31.812 ( 0.584 -0.458 0.000) 0.742 31.936 ( -0.685 0.123 -0.000) 0.696 31.938 ( -0.524 -0.019 0.000) 0.524 32.060 ( -4.217 0.758 0.000) 4.284 32.064 ( -4.267 0.526 -0.000) 4.299 32.548 ( -2.971 0.031 0.000) 2.971 32.551 ( -3.019 -0.119 0.000) 3.021 32.675 ( -0.996 -0.555 0.000) 1.140 32.675 ( -1.052 -0.584 -0.000) 1.204 33.591 ( -1.426 0.166 -0.000) 1.436 33.591 ( -1.432 0.154 0.000) 1.440 33.978 ( 2.437 0.015 -0.000) 2.437 33.979 ( 2.439 -0.033 0.000) 2.439 34.285 ( -3.659 -0.583 -0.000) 3.705 34.286 ( -3.603 -0.639 0.000) 3.660 34.464 ( -3.723 0.523 -0.000) 3.760 34.465 ( -3.669 0.461 0.000) 3.698 ======================= Grid point 74 (30/30) ======================= q-point: ( 0.40 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 38 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.353 ( 0.533 -1.930 -0.000) 2.002 2.356 ( 0.206 -1.679 0.000) 1.692 2.465 ( 7.670 0.107 0.000) 7.670 2.548 ( 8.201 -6.046 0.000) 10.189 2.643 ( -5.392 0.336 0.000) 5.403 2.741 ( -6.081 -6.332 0.000) 8.779 2.883 ( 5.903 0.351 0.000) 5.913 2.924 ( 2.678 -1.262 -0.000) 2.960 3.164 ( -0.102 5.509 0.000) 5.510 3.204 ( -3.351 7.474 -0.000) 8.191 3.396 ( 10.452 10.134 0.000) 14.558 3.402 ( 2.085 -0.228 -0.000) 2.098 3.456 ( 12.185 2.068 0.000) 12.359 3.458 ( 5.970 -4.496 -0.000) 7.474 3.683 ( 1.956 -1.586 -0.000) 2.518 3.703 ( 6.563 -5.219 0.000) 8.385 3.733 ( 4.996 4.441 0.000) 6.685 3.797 ( 0.684 -0.915 -0.000) 1.142 3.812 ( -0.118 0.101 0.000) 0.155 3.830 ( -1.682 -1.008 0.000) 1.961 3.912 ( -2.247 6.414 -0.000) 6.796 3.949 ( 0.873 2.561 0.000) 2.706 4.005 ( 1.467 -0.428 0.000) 1.528 4.014 ( 3.983 -0.468 -0.000) 4.010 4.031 ( -3.871 -3.156 0.000) 4.995 4.056 ( 1.679 4.871 0.000) 5.152 4.147 ( 0.890 -7.408 0.000) 7.461 4.186 ( -3.419 6.495 -0.000) 7.340 4.252 ( -4.721 -7.938 0.000) 9.236 4.252 ( -3.093 5.608 -0.000) 6.404 4.402 ( -1.067 0.285 0.000) 1.105 4.501 ( -5.801 -1.677 0.000) 6.039 4.595 ( 0.762 -2.215 0.000) 2.343 4.610 ( 2.019 -0.810 0.000) 2.175 4.625 ( 5.700 6.514 -0.000) 8.656 4.735 ( -4.410 3.528 -0.000) 5.648 4.775 ( -1.592 -0.352 -0.000) 1.631 4.823 ( -7.779 -0.474 -0.000) 7.793 4.830 ( 3.569 -3.000 0.000) 4.662 4.941 ( -2.947 0.544 0.000) 2.997 4.966 ( -4.284 3.133 0.000) 5.307 4.994 ( -3.382 -6.123 0.000) 6.995 5.081 ( 1.729 5.785 0.000) 6.038 5.111 ( 2.175 -1.709 0.000) 2.766 5.137 ( 2.506 -3.264 0.000) 4.115 5.175 ( -2.044 -2.317 0.000) 3.090 5.296 ( 1.815 -7.801 -0.000) 8.009 5.333 ( 5.072 -8.550 0.000) 9.941 5.404 ( -2.733 6.800 0.000) 7.328 5.501 ( -3.557 2.675 0.000) 4.450 5.638 ( 7.030 5.556 0.000) 8.961 5.656 ( 4.983 4.767 -0.000) 6.896 5.737 ( 2.286 0.738 0.000) 2.402 5.748 ( -0.518 -1.742 -0.000) 1.817 5.784 ( 1.261 -0.838 0.000) 1.514 5.795 ( 1.562 -2.266 -0.000) 2.752 5.829 ( -3.223 -0.575 0.000) 3.274 5.853 ( -7.242 -2.704 -0.000) 7.731 6.020 ( 0.485 -3.410 0.000) 3.445 6.041 ( -0.772 -5.052 0.000) 5.111 6.177 ( 3.058 0.775 0.000) 3.155 6.224 ( -2.602 -3.175 0.000) 4.105 6.276 ( 0.982 1.281 0.000) 1.614 6.330 ( -2.978 -3.278 0.000) 4.429 6.436 ( -2.710 0.886 0.000) 2.851 6.449 ( -4.450 0.441 0.000) 4.471 6.593 ( 4.171 8.331 0.000) 9.316 6.684 ( -3.949 3.668 0.000) 5.390 6.871 ( 4.951 -7.619 0.000) 9.086 6.917 ( 2.635 -7.348 -0.000) 7.807 6.988 ( 5.174 3.755 0.000) 6.393 7.034 ( -0.175 0.204 0.000) 0.269 7.154 ( 6.270 5.640 0.000) 8.434 7.162 ( 5.429 4.218 -0.000) 6.875 7.326 ( 0.851 -0.420 0.000) 0.949 7.378 ( -2.256 -3.384 -0.000) 4.067 7.546 ( 2.288 2.571 0.000) 3.442 7.570 ( 6.393 -0.608 0.000) 6.421 7.599 ( 2.719 2.002 0.000) 3.376 7.603 ( 8.218 -0.022 -0.000) 8.218 7.682 ( 2.443 0.617 -0.000) 2.519 7.722 ( -0.568 -2.949 0.000) 3.003 7.847 ( -7.510 0.510 0.000) 7.528 7.859 ( -7.718 -0.008 0.000) 7.718 8.010 ( 4.445 4.791 0.000) 6.535 8.024 ( 1.328 2.515 0.000) 2.844 8.198 ( 7.435 -1.422 0.000) 7.569 8.267 ( 7.749 -5.345 -0.000) 9.414 8.400 ( 0.521 0.688 0.000) 0.863 8.460 ( 0.193 -3.827 -0.000) 3.832 8.534 ( -5.691 5.853 0.000) 8.164 8.570 ( 0.491 1.929 0.000) 1.990 8.784 ( -2.126 1.621 0.000) 2.673 8.834 ( -4.143 -0.932 0.000) 4.246 8.975 ( -6.038 -0.001 0.000) 6.038 8.995 ( -3.687 -0.842 -0.000) 3.782 9.134 ( -5.305 -0.356 -0.000) 5.317 9.136 ( -5.973 -0.390 -0.000) 5.985 9.273 ( 0.520 0.496 -0.000) 0.719 9.284 ( -0.395 0.031 0.000) 0.396 9.299 ( 0.224 -0.034 0.000) 0.227 9.325 ( -1.266 -1.205 0.000) 1.748 9.723 ( -2.266 -0.227 0.000) 2.278 9.732 ( -3.054 -0.754 0.000) 3.145 9.951 ( 1.028 0.238 0.000) 1.056 9.952 ( 0.877 0.198 0.000) 0.899 10.059 ( -4.886 -0.276 -0.000) 4.894 10.063 ( -5.164 -0.524 0.000) 5.190 10.459 ( -0.272 -1.466 -0.000) 1.491 10.465 ( -0.156 -1.867 0.000) 1.874 10.656 ( 2.410 3.547 -0.000) 4.288 10.687 ( -0.181 4.396 0.000) 4.399 10.711 ( 3.450 1.772 0.000) 3.879 10.725 ( 4.371 1.694 0.000) 4.688 10.743 ( 3.418 -2.698 -0.000) 4.355 10.779 ( -0.046 -2.677 0.000) 2.677 10.918 ( -7.837 -3.964 0.000) 8.783 10.927 ( -7.284 -4.026 -0.000) 8.323 11.158 ( 1.131 1.078 0.000) 1.562 11.169 ( -0.139 -0.111 -0.000) 0.178 11.328 ( 1.564 0.991 0.000) 1.851 11.355 ( 0.271 -0.281 0.000) 0.390 11.433 ( 3.950 4.656 0.000) 6.106 11.453 ( 2.668 3.434 0.000) 4.348 11.919 ( 0.982 0.281 0.000) 1.021 11.951 ( 0.088 -1.172 0.000) 1.175 12.019 ( 3.348 -0.668 0.000) 3.414 12.088 ( -1.480 -3.483 0.000) 3.785 12.181 ( 5.847 -3.912 0.000) 7.034 12.242 ( -0.141 -7.063 0.000) 7.065 12.685 ( 7.456 5.366 0.000) 9.187 12.689 ( 8.718 5.585 0.000) 10.354 12.922 ( -6.180 0.445 0.000) 6.196 12.937 ( -6.973 -0.895 0.000) 7.030 12.968 ( -9.665 2.395 0.000) 9.958 13.002 ( -10.568 0.068 0.000) 10.568 13.096 ( 1.020 0.872 0.000) 1.342 13.114 ( -0.628 1.153 -0.000) 1.312 13.141 ( 1.889 -2.095 -0.000) 2.821 13.166 ( -0.504 -2.223 0.000) 2.280 13.438 ( 0.027 0.065 0.000) 0.070 13.449 ( -0.977 -0.704 -0.000) 1.204 13.518 ( -0.799 0.890 0.000) 1.197 13.522 ( -1.189 0.575 -0.000) 1.321 14.217 ( 4.429 0.012 0.000) 4.429 14.231 ( 3.411 -1.005 0.000) 3.556 14.254 ( 3.722 0.472 -0.000) 3.752 14.265 ( 2.827 -0.358 -0.000) 2.849 14.576 ( -0.528 0.793 0.000) 0.953 14.583 ( -0.990 0.382 0.000) 1.061 14.924 ( 1.200 -0.130 0.000) 1.206 14.932 ( 1.462 -0.745 0.000) 1.641 14.949 ( -3.133 0.500 -0.000) 3.173 14.957 ( -2.886 -0.030 0.000) 2.886 14.984 ( -1.624 -0.329 0.000) 1.657 14.986 ( -1.794 -0.354 0.000) 1.828 15.965 ( 0.192 -0.788 -0.000) 0.811 15.966 ( -0.018 -0.860 0.000) 0.860 16.096 ( -1.479 2.018 0.000) 2.502 16.099 ( -1.552 1.891 0.000) 2.446 16.263 ( 0.742 0.098 0.000) 0.749 16.266 ( 0.663 -0.164 -0.000) 0.683 16.289 ( -0.036 0.429 0.000) 0.431 16.294 ( -0.308 0.100 0.000) 0.324 16.371 ( 3.756 -0.202 0.000) 3.761 16.378 ( 3.488 -0.519 -0.000) 3.527 16.489 ( -4.080 -1.010 -0.000) 4.203 16.497 ( -4.392 -1.444 0.000) 4.623 16.772 ( -2.356 0.022 -0.000) 2.357 16.773 ( -2.466 -0.075 0.000) 2.467 17.179 ( -2.223 0.498 -0.000) 2.278 17.182 ( -2.191 0.399 0.000) 2.227 17.204 ( -1.838 0.459 0.000) 1.895 17.212 ( -2.303 0.044 0.000) 2.303 17.563 ( 0.107 -0.139 0.000) 0.175 17.568 ( -0.402 -0.377 -0.000) 0.551 17.718 ( 0.368 -0.397 -0.000) 0.541 17.722 ( 0.209 -0.674 0.000) 0.706 17.884 ( 2.550 0.527 0.000) 2.604 17.893 ( 2.075 -0.006 0.000) 2.075 18.076 ( -1.880 0.362 -0.000) 1.914 18.078 ( -1.752 0.270 0.000) 1.773 18.185 ( -0.043 0.682 0.000) 0.684 18.193 ( -0.304 0.285 0.000) 0.416 18.285 ( -4.679 -0.181 0.000) 4.682 18.293 ( -4.971 -0.619 0.000) 5.010 18.540 ( 1.202 -0.119 0.000) 1.207 18.543 ( 0.883 -0.308 -0.000) 0.935 18.844 ( 3.354 0.742 -0.000) 3.435 18.853 ( 2.653 0.872 0.000) 2.793 18.866 ( 2.987 -0.904 0.000) 3.121 18.876 ( 2.277 -0.782 0.000) 2.407 26.151 ( 0.251 0.890 -0.000) 0.924 26.153 ( 0.119 0.826 0.000) 0.835 26.246 ( 0.283 -0.775 0.000) 0.825 26.248 ( 0.169 -0.827 0.000) 0.844 27.494 ( 1.039 0.350 0.000) 1.096 27.497 ( 0.967 0.309 0.000) 1.016 27.510 ( 0.605 -0.353 0.000) 0.700 27.513 ( 0.544 -0.388 0.000) 0.668 28.018 ( 0.978 0.068 -0.097) 0.985 28.018 ( 0.978 0.068 0.097) 0.985 28.137 ( -0.702 -0.028 0.000) 0.702 28.137 ( -0.724 -0.043 -0.000) 0.725 28.802 ( 3.548 0.022 -0.000) 3.548 28.804 ( 3.414 -0.050 0.000) 3.414 28.816 ( 3.813 0.015 -0.000) 3.813 28.818 ( 3.612 -0.132 0.000) 3.614 29.001 ( 2.458 0.422 -0.000) 2.494 29.006 ( 2.336 0.141 0.000) 2.340 29.138 ( -0.750 0.021 -0.000) 0.750 29.143 ( -0.874 -0.262 0.000) 0.912 29.603 ( -2.790 -0.198 0.000) 2.797 29.608 ( -2.994 -0.505 -0.000) 3.036 29.686 ( -2.539 0.381 0.000) 2.568 29.691 ( -2.778 0.076 -0.000) 2.779 30.561 ( 4.527 0.125 0.000) 4.529 30.563 ( 4.429 0.047 -0.000) 4.429 31.627 ( 2.712 0.145 0.000) 2.716 31.634 ( 2.702 -0.247 0.000) 2.714 31.674 ( 3.083 0.343 0.000) 3.102 31.683 ( 3.038 -0.179 0.000) 3.044 31.800 ( -1.411 -0.234 -0.000) 1.430 31.803 ( -1.680 -0.412 0.000) 1.730 31.923 ( -0.260 0.510 0.000) 0.573 31.927 ( -0.414 0.260 -0.000) 0.488 31.970 ( -3.186 0.103 -0.000) 3.188 31.972 ( -2.991 -0.033 0.000) 2.991 32.490 ( -1.918 0.565 0.000) 1.999 32.490 ( -2.000 0.541 -0.000) 2.072 32.651 ( -0.856 -0.886 0.000) 1.232 32.652 ( -0.861 -0.905 -0.000) 1.249 33.564 ( -0.809 0.088 -0.162) 0.830 33.564 ( -0.809 0.088 0.162) 0.830 34.042 ( 2.920 0.035 -0.000) 2.920 34.042 ( 2.877 0.029 0.000) 2.877 34.204 ( -3.149 -0.238 -0.000) 3.158 34.206 ( -3.206 -0.323 0.000) 3.223 34.385 ( -2.740 0.298 -0.000) 2.757 34.386 ( -2.811 0.224 0.000) 2.820 =================== 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 3/28800 10.0 827.476 938.996 1921.918 0.000 0.000 -0.000 3/28800 20.0 164.890 134.271 163.136 0.000 0.000 -0.000 3/28800 30.0 46.529 37.393 47.795 0.000 0.000 -0.000 3/28800 40.0 21.295 16.930 22.554 0.000 0.000 -0.000 3/28800 50.0 12.597 9.948 13.541 0.000 0.000 -0.000 3/28800 60.0 8.619 6.779 9.322 0.000 0.000 -0.000 3/28800 70.0 6.453 5.062 6.994 0.000 0.000 -0.000 3/28800 80.0 5.126 4.013 5.558 0.000 0.000 -0.000 3/28800 90.0 4.245 3.316 4.600 0.000 0.000 -0.000 3/28800 100.0 3.622 2.823 3.922 0.000 0.000 -0.000 3/28800 110.0 3.161 2.458 3.421 0.000 0.000 -0.000 3/28800 120.0 2.807 2.177 3.036 0.000 0.000 -0.000 3/28800 130.0 2.528 1.956 2.732 0.000 0.000 -0.000 3/28800 140.0 2.301 1.776 2.486 0.000 0.000 -0.000 3/28800 150.0 2.115 1.627 2.284 0.000 0.000 -0.000 3/28800 160.0 1.958 1.502 2.114 0.000 0.000 -0.000 3/28800 170.0 1.825 1.396 1.969 0.000 0.000 -0.000 3/28800 180.0 1.710 1.305 1.844 0.000 0.000 -0.000 3/28800 190.0 1.610 1.225 1.736 0.000 0.000 -0.000 3/28800 200.0 1.522 1.155 1.640 0.000 0.000 -0.000 3/28800 210.0 1.444 1.093 1.556 0.000 0.000 -0.000 3/28800 220.0 1.375 1.037 1.481 0.000 0.000 -0.000 3/28800 230.0 1.313 0.987 1.413 0.000 0.000 -0.000 3/28800 240.0 1.256 0.943 1.352 0.000 0.000 -0.000 3/28800 250.0 1.205 0.902 1.296 0.000 0.000 -0.000 3/28800 260.0 1.158 0.865 1.246 0.000 0.000 -0.000 3/28800 270.0 1.115 0.831 1.199 0.000 0.000 -0.000 3/28800 280.0 1.076 0.799 1.157 0.000 0.000 -0.000 3/28800 290.0 1.040 0.771 1.117 0.000 0.000 -0.000 3/28800 300.0 1.006 0.744 1.081 0.000 0.000 -0.000 3/28800 310.0 0.975 0.719 1.047 0.000 0.000 -0.000 3/28800 320.0 0.945 0.696 1.015 0.000 0.000 -0.000 3/28800 330.0 0.918 0.675 0.986 0.000 0.000 -0.000 3/28800 340.0 0.892 0.655 0.958 0.000 0.000 -0.000 3/28800 350.0 0.868 0.636 0.932 0.000 0.000 -0.000 3/28800 360.0 0.846 0.618 0.908 0.000 0.000 -0.000 3/28800 370.0 0.824 0.601 0.885 0.000 0.000 -0.000 3/28800 380.0 0.804 0.586 0.863 0.000 0.000 -0.000 3/28800 390.0 0.785 0.571 0.842 0.000 0.000 -0.000 3/28800 400.0 0.767 0.556 0.822 0.000 0.000 -0.000 3/28800 410.0 0.749 0.543 0.804 0.000 0.000 -0.000 3/28800 420.0 0.733 0.530 0.786 0.000 0.000 -0.000 3/28800 430.0 0.717 0.518 0.769 0.000 0.000 -0.000 3/28800 440.0 0.702 0.507 0.753 0.000 0.000 -0.000 3/28800 450.0 0.688 0.496 0.738 0.000 0.000 -0.000 3/28800 460.0 0.674 0.485 0.723 0.000 0.000 -0.000 3/28800 470.0 0.661 0.475 0.709 0.000 0.000 -0.000 3/28800 480.0 0.648 0.465 0.695 0.000 0.000 -0.000 3/28800 490.0 0.636 0.456 0.682 0.000 0.000 -0.000 3/28800 500.0 0.624 0.447 0.670 0.000 0.000 -0.000 3/28800 510.0 0.613 0.439 0.658 0.000 0.000 -0.000 3/28800 520.0 0.602 0.431 0.646 0.000 0.000 -0.000 3/28800 530.0 0.592 0.423 0.635 0.000 0.000 -0.000 3/28800 540.0 0.581 0.415 0.624 0.000 0.000 -0.000 3/28800 550.0 0.572 0.408 0.614 0.000 0.000 -0.000 3/28800 560.0 0.562 0.401 0.604 0.000 0.000 -0.000 3/28800 570.0 0.553 0.394 0.594 0.000 0.000 -0.000 3/28800 580.0 0.544 0.387 0.584 0.000 0.000 -0.000 3/28800 590.0 0.536 0.381 0.575 0.000 0.000 -0.000 3/28800 600.0 0.528 0.375 0.566 0.000 0.000 -0.000 3/28800 610.0 0.520 0.369 0.558 0.000 0.000 -0.000 3/28800 620.0 0.512 0.363 0.550 0.000 0.000 -0.000 3/28800 630.0 0.504 0.358 0.542 0.000 0.000 -0.000 3/28800 640.0 0.497 0.352 0.534 0.000 0.000 -0.000 3/28800 650.0 0.490 0.347 0.526 0.000 0.000 -0.000 3/28800 660.0 0.483 0.342 0.519 0.000 0.000 -0.000 3/28800 670.0 0.476 0.337 0.512 0.000 0.000 -0.000 3/28800 680.0 0.470 0.332 0.505 0.000 0.000 -0.000 3/28800 690.0 0.463 0.327 0.498 0.000 0.000 -0.000 3/28800 700.0 0.457 0.323 0.491 0.000 0.000 -0.000 3/28800 710.0 0.451 0.318 0.485 0.000 0.000 -0.000 3/28800 720.0 0.445 0.314 0.479 0.000 0.000 -0.000 3/28800 730.0 0.440 0.310 0.472 0.000 0.000 -0.000 3/28800 740.0 0.434 0.306 0.466 0.000 0.000 -0.000 3/28800 750.0 0.429 0.302 0.461 0.000 0.000 -0.000 3/28800 760.0 0.423 0.298 0.455 0.000 0.000 -0.000 3/28800 770.0 0.418 0.294 0.449 0.000 0.000 -0.000 3/28800 780.0 0.413 0.291 0.444 0.000 0.000 -0.000 3/28800 790.0 0.408 0.287 0.439 0.000 0.000 -0.000 3/28800 800.0 0.403 0.284 0.434 0.000 0.000 -0.000 3/28800 810.0 0.399 0.280 0.429 0.000 0.000 -0.000 3/28800 820.0 0.394 0.277 0.424 0.000 0.000 -0.000 3/28800 830.0 0.390 0.274 0.419 0.000 0.000 -0.000 3/28800 840.0 0.385 0.271 0.414 0.000 0.000 -0.000 3/28800 850.0 0.381 0.267 0.410 0.000 0.000 -0.000 3/28800 860.0 0.377 0.264 0.405 0.000 0.000 -0.000 3/28800 870.0 0.373 0.261 0.401 0.000 0.000 -0.000 3/28800 880.0 0.369 0.259 0.396 0.000 0.000 -0.000 3/28800 890.0 0.365 0.256 0.392 0.000 0.000 -0.000 3/28800 900.0 0.361 0.253 0.388 0.000 0.000 -0.000 3/28800 910.0 0.357 0.250 0.384 0.000 0.000 -0.000 3/28800 920.0 0.353 0.248 0.380 0.000 0.000 -0.000 3/28800 930.0 0.350 0.245 0.376 0.000 0.000 -0.000 3/28800 940.0 0.346 0.242 0.372 0.000 0.000 -0.000 3/28800 950.0 0.343 0.240 0.369 0.000 0.000 -0.000 3/28800 960.0 0.339 0.238 0.365 0.000 0.000 -0.000 3/28800 970.0 0.336 0.235 0.361 0.000 0.000 -0.000 3/28800 980.0 0.333 0.233 0.358 0.000 0.000 -0.000 3/28800 990.0 0.330 0.231 0.355 0.000 0.000 -0.000 3/28800 1000.0 0.326 0.228 0.351 0.000 0.000 -0.000 3/28800 Thermal conductivity related properties were written into "kappa-m538.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 14:20:53]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|