----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 05:41:49]------------------------- 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 3 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pmna (53) Number of symmetry operations in supercell: 24 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 8.867545910000000 0.000000000000000 0.000000000000000 b 0.000000000000000 3.765136200000000 0.000000000000000 c 0.000000000000000 0.000000000000000 8.418624960000001 Atomic positions (fractional): *1 H 0.66244369180551 0.39263173053133 0.20582451398469 1.008 2 H 0.83755630819449 0.39263173053133 0.29417548601531 1.008 3 H 0.83755630819449 0.60736826946867 0.70582451398469 1.008 4 H 0.66244369180551 0.60736826946867 0.79417548601531 1.008 5 H 0.33755630819449 0.60736826946867 0.79417548601531 1.008 6 H 0.16244369180551 0.60736826946867 0.70582451398469 1.008 7 H 0.16244369180551 0.39263173053133 0.29417548601531 1.008 8 H 0.33755630819449 0.39263173053133 0.20582451398469 1.008 *9 H 0.70874305307897 0.71482391939609 0.34204119165090 1.008 10 H 0.79125694692103 0.71482391939609 0.15795880834910 1.008 11 H 0.79125694692103 0.28517608060391 0.84204119165090 1.008 12 H 0.70874305307897 0.28517608060391 0.65795880834910 1.008 13 H 0.29125694692103 0.28517608060391 0.65795880834910 1.008 14 H 0.20874305307897 0.28517608060391 0.84204119165090 1.008 15 H 0.20874305307897 0.71482391939609 0.15795880834910 1.008 16 H 0.29125694692103 0.71482391939609 0.34204119165090 1.008 *17 N 0.75000000000000 0.55286394685801 0.25000000000000 14.007 18 N 0.75000000000000 0.44713605314199 0.75000000000000 14.007 19 N 0.25000000000000 0.44713605314199 0.75000000000000 14.007 20 N 0.25000000000000 0.55286394685801 0.25000000000000 14.007 *21 N 0.50000000000000 0.86331271145112 0.87346742122403 14.007 22 N 0.00000000000000 0.86331271145112 0.62653257877597 14.007 23 N 0.00000000000000 0.13668728854888 0.37346742122403 14.007 24 N 0.50000000000000 0.13668728854888 0.12653257877597 14.007 *25 N 0.00000000000000 0.00000000000000 0.50000000000000 14.007 26 N 0.50000000000000 0.00000000000000 0.00000000000000 14.007 *27 N 0.63342451921874 0.00000000000000 0.50000000000000 14.007 28 N 0.86657548078126 0.00000000000000 0.00000000000000 14.007 29 N 0.36657548078126 0.00000000000000 0.50000000000000 14.007 30 N 0.13342451921874 0.00000000000000 0.00000000000000 14.007 *31 N 0.50000000000000 0.00000000000000 0.50000000000000 14.007 32 N 0.00000000000000 0.00000000000000 0.00000000000000 14.007 -------------------------------- unit cell --------------------------------- Lattice vectors: a 8.867545910000000 0.000000000000000 0.000000000000000 b 0.000000000000000 3.765136200000000 0.000000000000000 c 0.000000000000000 0.000000000000000 8.418624960000001 Atomic positions (fractional): *1 H 0.66244369180551 0.39263173053133 0.20582451398469 1.008 > 1 2 H 0.83755630819449 0.39263173053133 0.29417548601531 1.008 > 2 3 H 0.83755630819449 0.60736826946867 0.70582451398469 1.008 > 3 4 H 0.66244369180551 0.60736826946867 0.79417548601531 1.008 > 4 5 H 0.33755630819449 0.60736826946867 0.79417548601531 1.008 > 5 6 H 0.16244369180551 0.60736826946867 0.70582451398469 1.008 > 6 7 H 0.16244369180551 0.39263173053133 0.29417548601531 1.008 > 7 8 H 0.33755630819449 0.39263173053133 0.20582451398469 1.008 > 8 *9 H 0.70874305307897 0.71482391939609 0.34204119165090 1.008 > 9 10 H 0.79125694692103 0.71482391939609 0.15795880834910 1.008 > 10 11 H 0.79125694692103 0.28517608060391 0.84204119165090 1.008 > 11 12 H 0.70874305307897 0.28517608060391 0.65795880834910 1.008 > 12 13 H 0.29125694692103 0.28517608060391 0.65795880834910 1.008 > 13 14 H 0.20874305307897 0.28517608060391 0.84204119165090 1.008 > 14 15 H 0.20874305307897 0.71482391939609 0.15795880834910 1.008 > 15 16 H 0.29125694692103 0.71482391939609 0.34204119165090 1.008 > 16 *17 N 0.75000000000000 0.55286394685801 0.25000000000000 14.007 > 17 18 N 0.75000000000000 0.44713605314199 0.75000000000000 14.007 > 18 19 N 0.25000000000000 0.44713605314199 0.75000000000000 14.007 > 19 20 N 0.25000000000000 0.55286394685801 0.25000000000000 14.007 > 20 *21 N 0.50000000000000 0.86331271145112 0.87346742122403 14.007 > 21 22 N 0.00000000000000 0.86331271145112 0.62653257877597 14.007 > 22 23 N 0.00000000000000 0.13668728854888 0.37346742122403 14.007 > 23 24 N 0.50000000000000 0.13668728854888 0.12653257877597 14.007 > 24 *25 N 0.00000000000000 0.00000000000000 0.50000000000000 14.007 > 25 26 N 0.50000000000000 0.00000000000000 0.00000000000000 14.007 > 26 *27 N 0.63342451921874 0.00000000000000 0.50000000000000 14.007 > 27 28 N 0.86657548078126 0.00000000000000 0.00000000000000 14.007 > 28 29 N 0.36657548078126 0.00000000000000 0.50000000000000 14.007 > 29 30 N 0.13342451921874 0.00000000000000 0.00000000000000 14.007 > 30 *31 N 0.50000000000000 0.00000000000000 0.50000000000000 14.007 > 31 32 N 0.00000000000000 0.00000000000000 0.00000000000000 14.007 > 32 -------------------------------- super cell -------------------------------- Lattice vectors: a 8.867545910000000 0.000000000000000 0.000000000000000 b 0.000000000000000 11.295408600000000 0.000000000000000 c 0.000000000000000 0.000000000000000 8.418624960000001 Atomic positions (fractional): *1 H 0.66244369180551 0.13087724351044 0.20582451398469 1.008 > 1 2 H 0.66244369180551 0.46421057684378 0.20582451398469 1.008 > 1 3 H 0.66244369180551 0.79754391017711 0.20582451398469 1.008 > 1 4 H 0.83755630819449 0.13087724351044 0.29417548601531 1.008 > 2 5 H 0.83755630819449 0.46421057684378 0.29417548601531 1.008 > 2 6 H 0.83755630819449 0.79754391017711 0.29417548601531 1.008 > 2 7 H 0.83755630819449 0.20245608982289 0.70582451398469 1.008 > 3 8 H 0.83755630819449 0.53578942315622 0.70582451398469 1.008 > 3 9 H 0.83755630819449 0.86912275648956 0.70582451398469 1.008 > 3 10 H 0.66244369180551 0.20245608982289 0.79417548601531 1.008 > 4 11 H 0.66244369180551 0.53578942315622 0.79417548601531 1.008 > 4 12 H 0.66244369180551 0.86912275648956 0.79417548601531 1.008 > 4 13 H 0.33755630819449 0.20245608982289 0.79417548601531 1.008 > 5 14 H 0.33755630819449 0.53578942315622 0.79417548601531 1.008 > 5 15 H 0.33755630819449 0.86912275648956 0.79417548601531 1.008 > 5 16 H 0.16244369180551 0.20245608982289 0.70582451398469 1.008 > 6 17 H 0.16244369180551 0.53578942315622 0.70582451398469 1.008 > 6 18 H 0.16244369180551 0.86912275648956 0.70582451398469 1.008 > 6 19 H 0.16244369180551 0.13087724351044 0.29417548601531 1.008 > 7 20 H 0.16244369180551 0.46421057684378 0.29417548601531 1.008 > 7 21 H 0.16244369180551 0.79754391017711 0.29417548601531 1.008 > 7 22 H 0.33755630819449 0.13087724351044 0.20582451398469 1.008 > 8 23 H 0.33755630819449 0.46421057684378 0.20582451398469 1.008 > 8 24 H 0.33755630819449 0.79754391017711 0.20582451398469 1.008 > 8 *25 H 0.70874305307897 0.23827463979870 0.34204119165090 1.008 > 9 26 H 0.70874305307897 0.57160797313203 0.34204119165090 1.008 > 9 27 H 0.70874305307897 0.90494130646536 0.34204119165090 1.008 > 9 28 H 0.79125694692103 0.23827463979870 0.15795880834910 1.008 > 10 29 H 0.79125694692103 0.57160797313203 0.15795880834910 1.008 > 10 30 H 0.79125694692103 0.90494130646536 0.15795880834910 1.008 > 10 31 H 0.79125694692103 0.09505869353464 0.84204119165090 1.008 > 11 32 H 0.79125694692103 0.42839202686797 0.84204119165090 1.008 > 11 33 H 0.79125694692103 0.76172536020130 0.84204119165090 1.008 > 11 34 H 0.70874305307897 0.09505869353464 0.65795880834910 1.008 > 12 35 H 0.70874305307897 0.42839202686797 0.65795880834910 1.008 > 12 36 H 0.70874305307897 0.76172536020130 0.65795880834910 1.008 > 12 37 H 0.29125694692103 0.09505869353464 0.65795880834910 1.008 > 13 38 H 0.29125694692103 0.42839202686797 0.65795880834910 1.008 > 13 39 H 0.29125694692103 0.76172536020130 0.65795880834910 1.008 > 13 40 H 0.20874305307897 0.09505869353464 0.84204119165090 1.008 > 14 41 H 0.20874305307897 0.42839202686797 0.84204119165090 1.008 > 14 42 H 0.20874305307897 0.76172536020130 0.84204119165090 1.008 > 14 43 H 0.20874305307897 0.23827463979870 0.15795880834910 1.008 > 15 44 H 0.20874305307897 0.57160797313203 0.15795880834910 1.008 > 15 45 H 0.20874305307897 0.90494130646536 0.15795880834910 1.008 > 15 46 H 0.29125694692103 0.23827463979870 0.34204119165090 1.008 > 16 47 H 0.29125694692103 0.57160797313203 0.34204119165090 1.008 > 16 48 H 0.29125694692103 0.90494130646536 0.34204119165090 1.008 > 16 *49 N 0.75000000000000 0.18428798228600 0.25000000000000 14.007 > 17 50 N 0.75000000000000 0.51762131561934 0.25000000000000 14.007 > 17 51 N 0.75000000000000 0.85095464895267 0.25000000000000 14.007 > 17 52 N 0.75000000000000 0.14904535104733 0.75000000000000 14.007 > 18 53 N 0.75000000000000 0.48237868438066 0.75000000000000 14.007 > 18 54 N 0.75000000000000 0.81571201771400 0.75000000000000 14.007 > 18 55 N 0.25000000000000 0.14904535104733 0.75000000000000 14.007 > 19 56 N 0.25000000000000 0.48237868438066 0.75000000000000 14.007 > 19 57 N 0.25000000000000 0.81571201771400 0.75000000000000 14.007 > 19 58 N 0.25000000000000 0.18428798228600 0.25000000000000 14.007 > 20 59 N 0.25000000000000 0.51762131561934 0.25000000000000 14.007 > 20 60 N 0.25000000000000 0.85095464895267 0.25000000000000 14.007 > 20 *61 N 0.50000000000000 0.28777090381704 0.87346742122403 14.007 > 21 62 N 0.50000000000000 0.62110423715037 0.87346742122403 14.007 > 21 63 N 0.50000000000000 0.95443757048371 0.87346742122403 14.007 > 21 64 N 0.00000000000000 0.28777090381704 0.62653257877597 14.007 > 22 65 N 0.00000000000000 0.62110423715037 0.62653257877597 14.007 > 22 66 N 0.00000000000000 0.95443757048371 0.62653257877597 14.007 > 22 67 N 0.00000000000000 0.04556242951629 0.37346742122403 14.007 > 23 68 N 0.00000000000000 0.37889576284963 0.37346742122403 14.007 > 23 69 N 0.00000000000000 0.71222909618296 0.37346742122403 14.007 > 23 70 N 0.50000000000000 0.04556242951629 0.12653257877597 14.007 > 24 71 N 0.50000000000000 0.37889576284963 0.12653257877597 14.007 > 24 72 N 0.50000000000000 0.71222909618296 0.12653257877597 14.007 > 24 *73 N 0.00000000000000 0.00000000000000 0.50000000000000 14.007 > 25 74 N 0.00000000000000 0.33333333333333 0.50000000000000 14.007 > 25 75 N 0.00000000000000 0.66666666666667 0.50000000000000 14.007 > 25 76 N 0.50000000000000 0.00000000000000 0.00000000000000 14.007 > 26 77 N 0.50000000000000 0.33333333333333 0.00000000000000 14.007 > 26 78 N 0.50000000000000 0.66666666666667 0.00000000000000 14.007 > 26 *79 N 0.63342451921874 0.00000000000000 0.50000000000000 14.007 > 27 80 N 0.63342451921874 0.33333333333333 0.50000000000000 14.007 > 27 81 N 0.63342451921874 0.66666666666667 0.50000000000000 14.007 > 27 82 N 0.86657548078126 0.00000000000000 0.00000000000000 14.007 > 28 83 N 0.86657548078126 0.33333333333333 0.00000000000000 14.007 > 28 84 N 0.86657548078126 0.66666666666667 0.00000000000000 14.007 > 28 85 N 0.36657548078126 0.00000000000000 0.50000000000000 14.007 > 29 86 N 0.36657548078126 0.33333333333333 0.50000000000000 14.007 > 29 87 N 0.36657548078126 0.66666666666667 0.50000000000000 14.007 > 29 88 N 0.13342451921874 0.00000000000000 0.00000000000000 14.007 > 30 89 N 0.13342451921874 0.33333333333333 0.00000000000000 14.007 > 30 90 N 0.13342451921874 0.66666666666667 0.00000000000000 14.007 > 30 *91 N 0.50000000000000 0.00000000000000 0.50000000000000 14.007 > 31 92 N 0.50000000000000 0.33333333333333 0.50000000000000 14.007 > 31 93 N 0.50000000000000 0.66666666666667 0.50000000000000 14.007 > 31 94 N 0.00000000000000 0.00000000000000 0.00000000000000 14.007 > 32 95 N 0.00000000000000 0.33333333333333 0.00000000000000 14.007 > 32 96 N 0.00000000000000 0.66666666666667 0.00000000000000 14.007 > 32 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.0178610 0.0000000 0.0000000 0.0000000 2.3909613 0.0000000 0.0000000 0.0000000 2.8857726 -------------------------- Born effective charges -------------------------- 1 H 0.7252170 0.3447617 0.2075444 0.4287162 0.5572460 0.2212137 0.5195461 0.3684502 0.5247077 2 H 0.7252170 -0.3447617 0.2075444 -0.4287162 0.5572460 -0.2212137 0.5195461 -0.3684502 0.5247077 3 H 0.7252170 0.3447617 -0.2075444 0.4287162 0.5572460 -0.2212137 -0.5195461 -0.3684502 0.5247077 4 H 0.7252170 -0.3447617 -0.2075444 -0.4287162 0.5572460 0.2212137 -0.5195461 0.3684502 0.5247077 5 H 0.7252170 0.3447617 0.2075444 0.4287162 0.5572460 0.2212137 0.5195461 0.3684502 0.5247077 6 H 0.7252170 -0.3447617 0.2075444 -0.4287162 0.5572460 -0.2212137 0.5195461 -0.3684502 0.5247077 7 H 0.7252170 0.3447617 -0.2075444 0.4287162 0.5572460 -0.2212137 -0.5195461 -0.3684502 0.5247077 8 H 0.7252170 -0.3447617 -0.2075444 -0.4287162 0.5572460 0.2212137 -0.5195461 0.3684502 0.5247077 9 H 0.5238310 -0.4229061 -0.5608830 -0.2185951 0.5485648 0.4250357 -0.2045376 0.3536064 0.6991565 10 H 0.5238310 0.4229061 -0.5608830 0.2185951 0.5485648 -0.4250357 -0.2045376 -0.3536064 0.6991565 11 H 0.5238310 -0.4229061 0.5608830 -0.2185951 0.5485648 -0.4250357 0.2045376 -0.3536064 0.6991565 12 H 0.5238310 0.4229061 0.5608830 0.2185951 0.5485648 0.4250357 0.2045376 0.3536064 0.6991565 13 H 0.5238310 -0.4229061 -0.5608830 -0.2185951 0.5485648 0.4250357 -0.2045376 0.3536064 0.6991565 14 H 0.5238310 0.4229061 -0.5608830 0.2185951 0.5485648 -0.4250357 -0.2045376 -0.3536064 0.6991565 15 H 0.5238310 -0.4229061 0.5608830 -0.2185951 0.5485648 -0.4250357 0.2045376 -0.3536064 0.6991565 16 H 0.5238310 0.4229061 0.5608830 0.2185951 0.5485648 0.4250357 0.2045376 0.3536064 0.6991565 17 N -1.0586522 0.0000000 0.4003925 0.0000000 -0.9091000 0.0000000 -0.3349169 0.0000000 -1.0459900 18 N -1.0586522 0.0000000 -0.4003925 0.0000000 -0.9091000 0.0000000 0.3349169 0.0000000 -1.0459900 19 N -1.0586522 0.0000000 0.4003925 0.0000000 -0.9091000 0.0000000 -0.3349169 0.0000000 -1.0459900 20 N -1.0586522 0.0000000 -0.4003925 0.0000000 -0.9091000 0.0000000 0.3349169 0.0000000 -1.0459900 21 N -0.7179667 0.0000000 0.0000000 0.0000000 -0.9766518 -0.9110269 0.0000000 -1.0117835 -2.1913987 22 N -0.7179667 0.0000000 0.0000000 0.0000000 -0.9766518 0.9110269 0.0000000 1.0117835 -2.1913987 23 N -0.7179667 0.0000000 0.0000000 0.0000000 -0.9766518 0.9110269 0.0000000 1.0117835 -2.1913987 24 N -0.7179667 0.0000000 0.0000000 0.0000000 -0.9766518 -0.9110269 0.0000000 -1.0117835 -2.1913987 25 N -0.1764115 0.0000000 0.0000000 0.0000000 0.6689151 -1.4830625 0.0000000 -1.4861226 3.1501914 26 N -0.1764115 0.0000000 0.0000000 0.0000000 0.6689151 1.4830625 0.0000000 1.4861226 3.1501914 27 N -2.5414374 0.0000000 0.0000000 0.0000000 -0.5805406 -0.2668181 0.0000000 -0.2063533 -0.7132550 28 N -2.5414374 0.0000000 0.0000000 0.0000000 -0.5805406 0.2668181 0.0000000 0.2063533 -0.7132550 29 N -2.5414374 0.0000000 0.0000000 0.0000000 -0.5805406 -0.2668181 0.0000000 -0.2063533 -0.7132550 30 N -2.5414374 0.0000000 0.0000000 0.0000000 -0.5805406 0.2668181 0.0000000 0.2063533 -0.7132550 31 N 3.8163321 0.0000000 0.0000000 0.0000000 -0.1595732 -0.1605826 0.0000000 -0.1561716 -0.1443609 32 N 3.8163321 0.0000000 0.0000000 0.0000000 -0.1595732 0.1605826 0.0000000 0.1561716 -0.1443609 ---------------------------------------------------------------------------- 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: 288/288 Permutation basis: 14064/14064 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1852 Number of blocks in projector: 1852 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: 412 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 360 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 348 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 244 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 244 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 244 Use standard eigh solver. Tree of FC basis block matrices: - (1852, 1809), data: False |-- (244, 237), data: True |-- (244, 237), data: True |-- (244, 237), data: True |-- (348, 344), data: True |-- (360, 354), data: True |-- (412, 400), data: True ----- Solver_atoms: 1 -- 96 / 96 Time (Solver_compr_matrix_reshape): 0.002 Solver_block: 100 / 480 - Time: 2.599 Solver_block: 200 / 480 - Time: 2.607 Solver_block: 300 / 480 - Time: 2.643 Solver_block: 400 / 480 - Time: 2.585 Solver_block: 480 / 480 - Time: 2.137 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 12.730 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (xx) 0.00000000 (xx) Permutation basis: 288/288 Permutation basis: 14064/14064 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1852 Number of blocks in projector: 1852 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: 412 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 360 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 348 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 244 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 244 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 244 Use standard eigh solver. Tree of FC basis block matrices: - (1852, 1809), data: False |-- (244, 237), data: True |-- (244, 237), data: True |-- (244, 237), data: True |-- (348, 344), data: True |-- (360, 354), data: True |-- (412, 400), 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 05:42:22]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 05:42:23]------------------------- 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 3 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pmna (53) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 8.867545910000000 0.000000000000000 0.000000000000000 b 0.000000000000000 3.765136200000000 0.000000000000000 c 0.000000000000000 0.000000000000000 8.418624960000001 Atomic positions (fractional): 1 H 0.66244369180551 0.39263173053133 0.20582451398469 1.008 2 H 0.83755630819449 0.39263173053133 0.29417548601531 1.008 3 H 0.83755630819449 0.60736826946867 0.70582451398469 1.008 4 H 0.66244369180551 0.60736826946867 0.79417548601531 1.008 5 H 0.33755630819449 0.60736826946867 0.79417548601531 1.008 6 H 0.16244369180551 0.60736826946867 0.70582451398469 1.008 7 H 0.16244369180551 0.39263173053133 0.29417548601531 1.008 8 H 0.33755630819449 0.39263173053133 0.20582451398469 1.008 9 H 0.70874305307897 0.71482391939609 0.34204119165090 1.008 10 H 0.79125694692103 0.71482391939609 0.15795880834910 1.008 11 H 0.79125694692103 0.28517608060391 0.84204119165090 1.008 12 H 0.70874305307897 0.28517608060391 0.65795880834910 1.008 13 H 0.29125694692103 0.28517608060391 0.65795880834910 1.008 14 H 0.20874305307897 0.28517608060391 0.84204119165090 1.008 15 H 0.20874305307897 0.71482391939609 0.15795880834910 1.008 16 H 0.29125694692103 0.71482391939609 0.34204119165090 1.008 17 N 0.75000000000000 0.55286394685801 0.25000000000000 14.007 18 N 0.75000000000000 0.44713605314199 0.75000000000000 14.007 19 N 0.25000000000000 0.44713605314199 0.75000000000000 14.007 20 N 0.25000000000000 0.55286394685801 0.25000000000000 14.007 21 N 0.50000000000000 0.86331271145112 0.87346742122403 14.007 22 N 0.00000000000000 0.86331271145112 0.62653257877597 14.007 23 N 0.00000000000000 0.13668728854888 0.37346742122403 14.007 24 N 0.50000000000000 0.13668728854888 0.12653257877597 14.007 25 N 0.00000000000000 0.00000000000000 0.50000000000000 14.007 26 N 0.50000000000000 0.00000000000000 0.00000000000000 14.007 27 N 0.63342451921874 0.00000000000000 0.50000000000000 14.007 28 N 0.86657548078126 0.00000000000000 0.00000000000000 14.007 29 N 0.36657548078126 0.00000000000000 0.50000000000000 14.007 30 N 0.13342451921874 0.00000000000000 0.00000000000000 14.007 31 N 0.50000000000000 0.00000000000000 0.50000000000000 14.007 32 N 0.00000000000000 0.00000000000000 0.00000000000000 14.007 -------------------------------- supercell --------------------------------- Lattice vectors: a 8.867545910000000 0.000000000000000 0.000000000000000 b 0.000000000000000 11.295408600000000 0.000000000000000 c 0.000000000000000 0.000000000000000 8.418624960000001 Atomic positions (fractional): 1 H 0.66244369180551 0.13087724351044 0.20582451398469 1.008 > 1 2 H 0.66244369180551 0.46421057684378 0.20582451398469 1.008 > 1 3 H 0.66244369180551 0.79754391017711 0.20582451398469 1.008 > 1 4 H 0.83755630819449 0.13087724351044 0.29417548601531 1.008 > 4 5 H 0.83755630819449 0.46421057684378 0.29417548601531 1.008 > 4 6 H 0.83755630819449 0.79754391017711 0.29417548601531 1.008 > 4 7 H 0.83755630819449 0.20245608982289 0.70582451398469 1.008 > 7 8 H 0.83755630819449 0.53578942315622 0.70582451398469 1.008 > 7 9 H 0.83755630819449 0.86912275648956 0.70582451398469 1.008 > 7 10 H 0.66244369180551 0.20245608982289 0.79417548601531 1.008 > 10 11 H 0.66244369180551 0.53578942315622 0.79417548601531 1.008 > 10 12 H 0.66244369180551 0.86912275648956 0.79417548601531 1.008 > 10 13 H 0.33755630819449 0.20245608982289 0.79417548601531 1.008 > 13 14 H 0.33755630819449 0.53578942315622 0.79417548601531 1.008 > 13 15 H 0.33755630819449 0.86912275648956 0.79417548601531 1.008 > 13 16 H 0.16244369180551 0.20245608982289 0.70582451398469 1.008 > 16 17 H 0.16244369180551 0.53578942315622 0.70582451398469 1.008 > 16 18 H 0.16244369180551 0.86912275648956 0.70582451398469 1.008 > 16 19 H 0.16244369180551 0.13087724351044 0.29417548601531 1.008 > 19 20 H 0.16244369180551 0.46421057684378 0.29417548601531 1.008 > 19 21 H 0.16244369180551 0.79754391017711 0.29417548601531 1.008 > 19 22 H 0.33755630819449 0.13087724351044 0.20582451398469 1.008 > 22 23 H 0.33755630819449 0.46421057684378 0.20582451398469 1.008 > 22 24 H 0.33755630819449 0.79754391017711 0.20582451398469 1.008 > 22 25 H 0.70874305307897 0.23827463979870 0.34204119165090 1.008 > 25 26 H 0.70874305307897 0.57160797313203 0.34204119165090 1.008 > 25 27 H 0.70874305307897 0.90494130646536 0.34204119165090 1.008 > 25 28 H 0.79125694692103 0.23827463979870 0.15795880834910 1.008 > 28 29 H 0.79125694692103 0.57160797313203 0.15795880834910 1.008 > 28 30 H 0.79125694692103 0.90494130646536 0.15795880834910 1.008 > 28 31 H 0.79125694692103 0.09505869353464 0.84204119165090 1.008 > 31 32 H 0.79125694692103 0.42839202686797 0.84204119165090 1.008 > 31 33 H 0.79125694692103 0.76172536020130 0.84204119165090 1.008 > 31 34 H 0.70874305307897 0.09505869353464 0.65795880834910 1.008 > 34 35 H 0.70874305307897 0.42839202686797 0.65795880834910 1.008 > 34 36 H 0.70874305307897 0.76172536020130 0.65795880834910 1.008 > 34 37 H 0.29125694692103 0.09505869353464 0.65795880834910 1.008 > 37 38 H 0.29125694692103 0.42839202686797 0.65795880834910 1.008 > 37 39 H 0.29125694692103 0.76172536020130 0.65795880834910 1.008 > 37 40 H 0.20874305307897 0.09505869353464 0.84204119165090 1.008 > 40 41 H 0.20874305307897 0.42839202686797 0.84204119165090 1.008 > 40 42 H 0.20874305307897 0.76172536020130 0.84204119165090 1.008 > 40 43 H 0.20874305307897 0.23827463979870 0.15795880834910 1.008 > 43 44 H 0.20874305307897 0.57160797313203 0.15795880834910 1.008 > 43 45 H 0.20874305307897 0.90494130646536 0.15795880834910 1.008 > 43 46 H 0.29125694692103 0.23827463979870 0.34204119165090 1.008 > 46 47 H 0.29125694692103 0.57160797313203 0.34204119165090 1.008 > 46 48 H 0.29125694692103 0.90494130646536 0.34204119165090 1.008 > 46 49 N 0.75000000000000 0.18428798228600 0.25000000000000 14.007 > 49 50 N 0.75000000000000 0.51762131561934 0.25000000000000 14.007 > 49 51 N 0.75000000000000 0.85095464895267 0.25000000000000 14.007 > 49 52 N 0.75000000000000 0.14904535104733 0.75000000000000 14.007 > 52 53 N 0.75000000000000 0.48237868438066 0.75000000000000 14.007 > 52 54 N 0.75000000000000 0.81571201771400 0.75000000000000 14.007 > 52 55 N 0.25000000000000 0.14904535104733 0.75000000000000 14.007 > 55 56 N 0.25000000000000 0.48237868438066 0.75000000000000 14.007 > 55 57 N 0.25000000000000 0.81571201771400 0.75000000000000 14.007 > 55 58 N 0.25000000000000 0.18428798228600 0.25000000000000 14.007 > 58 59 N 0.25000000000000 0.51762131561934 0.25000000000000 14.007 > 58 60 N 0.25000000000000 0.85095464895267 0.25000000000000 14.007 > 58 61 N 0.50000000000000 0.28777090381704 0.87346742122403 14.007 > 61 62 N 0.50000000000000 0.62110423715037 0.87346742122403 14.007 > 61 63 N 0.50000000000000 0.95443757048371 0.87346742122403 14.007 > 61 64 N 0.00000000000000 0.28777090381704 0.62653257877597 14.007 > 64 65 N 0.00000000000000 0.62110423715037 0.62653257877597 14.007 > 64 66 N 0.00000000000000 0.95443757048371 0.62653257877597 14.007 > 64 67 N 0.00000000000000 0.04556242951629 0.37346742122403 14.007 > 67 68 N 0.00000000000000 0.37889576284963 0.37346742122403 14.007 > 67 69 N 0.00000000000000 0.71222909618296 0.37346742122403 14.007 > 67 70 N 0.50000000000000 0.04556242951629 0.12653257877597 14.007 > 70 71 N 0.50000000000000 0.37889576284963 0.12653257877597 14.007 > 70 72 N 0.50000000000000 0.71222909618296 0.12653257877597 14.007 > 70 73 N 0.00000000000000 0.00000000000000 0.50000000000000 14.007 > 73 74 N 0.00000000000000 0.33333333333333 0.50000000000000 14.007 > 73 75 N 0.00000000000000 0.66666666666667 0.50000000000000 14.007 > 73 76 N 0.50000000000000 0.00000000000000 0.00000000000000 14.007 > 76 77 N 0.50000000000000 0.33333333333333 0.00000000000000 14.007 > 76 78 N 0.50000000000000 0.66666666666667 0.00000000000000 14.007 > 76 79 N 0.63342451921874 0.00000000000000 0.50000000000000 14.007 > 79 80 N 0.63342451921874 0.33333333333333 0.50000000000000 14.007 > 79 81 N 0.63342451921874 0.66666666666667 0.50000000000000 14.007 > 79 82 N 0.86657548078126 0.00000000000000 0.00000000000000 14.007 > 82 83 N 0.86657548078126 0.33333333333333 0.00000000000000 14.007 > 82 84 N 0.86657548078126 0.66666666666667 0.00000000000000 14.007 > 82 85 N 0.36657548078126 0.00000000000000 0.50000000000000 14.007 > 85 86 N 0.36657548078126 0.33333333333333 0.50000000000000 14.007 > 85 87 N 0.36657548078126 0.66666666666667 0.50000000000000 14.007 > 85 88 N 0.13342451921874 0.00000000000000 0.00000000000000 14.007 > 88 89 N 0.13342451921874 0.33333333333333 0.00000000000000 14.007 > 88 90 N 0.13342451921874 0.66666666666667 0.00000000000000 14.007 > 88 91 N 0.50000000000000 0.00000000000000 0.50000000000000 14.007 > 91 92 N 0.50000000000000 0.33333333333333 0.50000000000000 14.007 > 91 93 N 0.50000000000000 0.66666666666667 0.50000000000000 14.007 > 91 94 N 0.00000000000000 0.00000000000000 0.00000000000000 14.007 > 94 95 N 0.00000000000000 0.33333333333333 0.00000000000000 14.007 > 94 96 N 0.00000000000000 0.66666666666667 0.00000000000000 14.007 > 94 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.0178610 0.0000000 0.0000000 0.0000000 2.3909613 0.0000000 0.0000000 0.0000000 2.8857726 -------------------------- Born effective charges -------------------------- 1 H 0.7252170 0.3447617 0.2075444 0.4287162 0.5572460 0.2212137 0.5195461 0.3684502 0.5247077 2 H 0.7252170 -0.3447617 0.2075444 -0.4287162 0.5572460 -0.2212137 0.5195461 -0.3684502 0.5247077 3 H 0.7252170 0.3447617 -0.2075444 0.4287162 0.5572460 -0.2212137 -0.5195461 -0.3684502 0.5247077 4 H 0.7252170 -0.3447617 -0.2075444 -0.4287162 0.5572460 0.2212137 -0.5195461 0.3684502 0.5247077 5 H 0.7252170 0.3447617 0.2075444 0.4287162 0.5572460 0.2212137 0.5195461 0.3684502 0.5247077 6 H 0.7252170 -0.3447617 0.2075444 -0.4287162 0.5572460 -0.2212137 0.5195461 -0.3684502 0.5247077 7 H 0.7252170 0.3447617 -0.2075444 0.4287162 0.5572460 -0.2212137 -0.5195461 -0.3684502 0.5247077 8 H 0.7252170 -0.3447617 -0.2075444 -0.4287162 0.5572460 0.2212137 -0.5195461 0.3684502 0.5247077 9 H 0.5238310 -0.4229061 -0.5608830 -0.2185951 0.5485648 0.4250357 -0.2045376 0.3536064 0.6991565 10 H 0.5238310 0.4229061 -0.5608830 0.2185951 0.5485648 -0.4250357 -0.2045376 -0.3536064 0.6991565 11 H 0.5238310 -0.4229061 0.5608830 -0.2185951 0.5485648 -0.4250357 0.2045376 -0.3536064 0.6991565 12 H 0.5238310 0.4229061 0.5608830 0.2185951 0.5485648 0.4250357 0.2045376 0.3536064 0.6991565 13 H 0.5238310 -0.4229061 -0.5608830 -0.2185951 0.5485648 0.4250357 -0.2045376 0.3536064 0.6991565 14 H 0.5238310 0.4229061 -0.5608830 0.2185951 0.5485648 -0.4250357 -0.2045376 -0.3536064 0.6991565 15 H 0.5238310 -0.4229061 0.5608830 -0.2185951 0.5485648 -0.4250357 0.2045376 -0.3536064 0.6991565 16 H 0.5238310 0.4229061 0.5608830 0.2185951 0.5485648 0.4250357 0.2045376 0.3536064 0.6991565 17 N -1.0586522 0.0000000 0.4003925 0.0000000 -0.9091000 0.0000000 -0.3349169 0.0000000 -1.0459900 18 N -1.0586522 0.0000000 -0.4003925 0.0000000 -0.9091000 0.0000000 0.3349169 0.0000000 -1.0459900 19 N -1.0586522 0.0000000 0.4003925 0.0000000 -0.9091000 0.0000000 -0.3349169 0.0000000 -1.0459900 20 N -1.0586522 0.0000000 -0.4003925 0.0000000 -0.9091000 0.0000000 0.3349169 0.0000000 -1.0459900 21 N -0.7179667 0.0000000 0.0000000 0.0000000 -0.9766518 -0.9110269 0.0000000 -1.0117835 -2.1913987 22 N -0.7179667 0.0000000 0.0000000 0.0000000 -0.9766518 0.9110269 0.0000000 1.0117835 -2.1913987 23 N -0.7179667 0.0000000 0.0000000 0.0000000 -0.9766518 0.9110269 0.0000000 1.0117835 -2.1913987 24 N -0.7179667 0.0000000 0.0000000 0.0000000 -0.9766518 -0.9110269 0.0000000 -1.0117835 -2.1913987 25 N -0.1764115 0.0000000 0.0000000 0.0000000 0.6689151 -1.4830625 0.0000000 -1.4861226 3.1501914 26 N -0.1764115 0.0000000 0.0000000 0.0000000 0.6689151 1.4830625 0.0000000 1.4861226 3.1501914 27 N -2.5414374 0.0000000 0.0000000 0.0000000 -0.5805406 -0.2668181 0.0000000 -0.2063533 -0.7132550 28 N -2.5414374 0.0000000 0.0000000 0.0000000 -0.5805406 0.2668181 0.0000000 0.2063533 -0.7132550 29 N -2.5414374 0.0000000 0.0000000 0.0000000 -0.5805406 -0.2668181 0.0000000 -0.2063533 -0.7132550 30 N -2.5414374 0.0000000 0.0000000 0.0000000 -0.5805406 0.2668181 0.0000000 0.2063533 -0.7132550 31 N 3.8163321 0.0000000 0.0000000 0.0000000 -0.1595732 -0.1605826 0.0000000 -0.1561716 -0.1443609 32 N 3.8163321 0.0000000 0.0000000 0.0000000 -0.1595732 0.1605826 0.0000000 0.1561716 -0.1443609 ---------------------------------------------------------------------------- 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[ 25, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 61, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 73, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 79, 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[ 91, 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 (xxx) -0.00000000 (xxx) -0.00000000 (xxx) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000000 (xx) 0.00000000 (xx) 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 05:42:44]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 05:42:45]------------------------- 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 3 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pmna (53) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 8.867545910000000 0.000000000000000 0.000000000000000 b 0.000000000000000 3.765136200000000 0.000000000000000 c 0.000000000000000 0.000000000000000 8.418624960000001 Atomic positions (fractional): 1 H 0.66244369180551 0.39263173053133 0.20582451398469 1.008 2 H 0.83755630819449 0.39263173053133 0.29417548601531 1.008 3 H 0.83755630819449 0.60736826946867 0.70582451398469 1.008 4 H 0.66244369180551 0.60736826946867 0.79417548601531 1.008 5 H 0.33755630819449 0.60736826946867 0.79417548601531 1.008 6 H 0.16244369180551 0.60736826946867 0.70582451398469 1.008 7 H 0.16244369180551 0.39263173053133 0.29417548601531 1.008 8 H 0.33755630819449 0.39263173053133 0.20582451398469 1.008 9 H 0.70874305307897 0.71482391939609 0.34204119165090 1.008 10 H 0.79125694692103 0.71482391939609 0.15795880834910 1.008 11 H 0.79125694692103 0.28517608060391 0.84204119165090 1.008 12 H 0.70874305307897 0.28517608060391 0.65795880834910 1.008 13 H 0.29125694692103 0.28517608060391 0.65795880834910 1.008 14 H 0.20874305307897 0.28517608060391 0.84204119165090 1.008 15 H 0.20874305307897 0.71482391939609 0.15795880834910 1.008 16 H 0.29125694692103 0.71482391939609 0.34204119165090 1.008 17 N 0.75000000000000 0.55286394685801 0.25000000000000 14.007 18 N 0.75000000000000 0.44713605314199 0.75000000000000 14.007 19 N 0.25000000000000 0.44713605314199 0.75000000000000 14.007 20 N 0.25000000000000 0.55286394685801 0.25000000000000 14.007 21 N 0.50000000000000 0.86331271145112 0.87346742122403 14.007 22 N 0.00000000000000 0.86331271145112 0.62653257877597 14.007 23 N 0.00000000000000 0.13668728854888 0.37346742122403 14.007 24 N 0.50000000000000 0.13668728854888 0.12653257877597 14.007 25 N 0.00000000000000 0.00000000000000 0.50000000000000 14.007 26 N 0.50000000000000 0.00000000000000 0.00000000000000 14.007 27 N 0.63342451921874 0.00000000000000 0.50000000000000 14.007 28 N 0.86657548078126 0.00000000000000 0.00000000000000 14.007 29 N 0.36657548078126 0.00000000000000 0.50000000000000 14.007 30 N 0.13342451921874 0.00000000000000 0.00000000000000 14.007 31 N 0.50000000000000 0.00000000000000 0.50000000000000 14.007 32 N 0.00000000000000 0.00000000000000 0.00000000000000 14.007 -------------------------------- supercell --------------------------------- Lattice vectors: a 8.867545910000000 0.000000000000000 0.000000000000000 b 0.000000000000000 11.295408600000000 0.000000000000000 c 0.000000000000000 0.000000000000000 8.418624960000001 Atomic positions (fractional): 1 H 0.66244369180551 0.13087724351044 0.20582451398469 1.008 > 1 2 H 0.66244369180551 0.46421057684378 0.20582451398469 1.008 > 1 3 H 0.66244369180551 0.79754391017711 0.20582451398469 1.008 > 1 4 H 0.83755630819449 0.13087724351044 0.29417548601531 1.008 > 4 5 H 0.83755630819449 0.46421057684378 0.29417548601531 1.008 > 4 6 H 0.83755630819449 0.79754391017711 0.29417548601531 1.008 > 4 7 H 0.83755630819449 0.20245608982289 0.70582451398469 1.008 > 7 8 H 0.83755630819449 0.53578942315622 0.70582451398469 1.008 > 7 9 H 0.83755630819449 0.86912275648956 0.70582451398469 1.008 > 7 10 H 0.66244369180551 0.20245608982289 0.79417548601531 1.008 > 10 11 H 0.66244369180551 0.53578942315622 0.79417548601531 1.008 > 10 12 H 0.66244369180551 0.86912275648956 0.79417548601531 1.008 > 10 13 H 0.33755630819449 0.20245608982289 0.79417548601531 1.008 > 13 14 H 0.33755630819449 0.53578942315622 0.79417548601531 1.008 > 13 15 H 0.33755630819449 0.86912275648956 0.79417548601531 1.008 > 13 16 H 0.16244369180551 0.20245608982289 0.70582451398469 1.008 > 16 17 H 0.16244369180551 0.53578942315622 0.70582451398469 1.008 > 16 18 H 0.16244369180551 0.86912275648956 0.70582451398469 1.008 > 16 19 H 0.16244369180551 0.13087724351044 0.29417548601531 1.008 > 19 20 H 0.16244369180551 0.46421057684378 0.29417548601531 1.008 > 19 21 H 0.16244369180551 0.79754391017711 0.29417548601531 1.008 > 19 22 H 0.33755630819449 0.13087724351044 0.20582451398469 1.008 > 22 23 H 0.33755630819449 0.46421057684378 0.20582451398469 1.008 > 22 24 H 0.33755630819449 0.79754391017711 0.20582451398469 1.008 > 22 25 H 0.70874305307897 0.23827463979870 0.34204119165090 1.008 > 25 26 H 0.70874305307897 0.57160797313203 0.34204119165090 1.008 > 25 27 H 0.70874305307897 0.90494130646536 0.34204119165090 1.008 > 25 28 H 0.79125694692103 0.23827463979870 0.15795880834910 1.008 > 28 29 H 0.79125694692103 0.57160797313203 0.15795880834910 1.008 > 28 30 H 0.79125694692103 0.90494130646536 0.15795880834910 1.008 > 28 31 H 0.79125694692103 0.09505869353464 0.84204119165090 1.008 > 31 32 H 0.79125694692103 0.42839202686797 0.84204119165090 1.008 > 31 33 H 0.79125694692103 0.76172536020130 0.84204119165090 1.008 > 31 34 H 0.70874305307897 0.09505869353464 0.65795880834910 1.008 > 34 35 H 0.70874305307897 0.42839202686797 0.65795880834910 1.008 > 34 36 H 0.70874305307897 0.76172536020130 0.65795880834910 1.008 > 34 37 H 0.29125694692103 0.09505869353464 0.65795880834910 1.008 > 37 38 H 0.29125694692103 0.42839202686797 0.65795880834910 1.008 > 37 39 H 0.29125694692103 0.76172536020130 0.65795880834910 1.008 > 37 40 H 0.20874305307897 0.09505869353464 0.84204119165090 1.008 > 40 41 H 0.20874305307897 0.42839202686797 0.84204119165090 1.008 > 40 42 H 0.20874305307897 0.76172536020130 0.84204119165090 1.008 > 40 43 H 0.20874305307897 0.23827463979870 0.15795880834910 1.008 > 43 44 H 0.20874305307897 0.57160797313203 0.15795880834910 1.008 > 43 45 H 0.20874305307897 0.90494130646536 0.15795880834910 1.008 > 43 46 H 0.29125694692103 0.23827463979870 0.34204119165090 1.008 > 46 47 H 0.29125694692103 0.57160797313203 0.34204119165090 1.008 > 46 48 H 0.29125694692103 0.90494130646536 0.34204119165090 1.008 > 46 49 N 0.75000000000000 0.18428798228600 0.25000000000000 14.007 > 49 50 N 0.75000000000000 0.51762131561934 0.25000000000000 14.007 > 49 51 N 0.75000000000000 0.85095464895267 0.25000000000000 14.007 > 49 52 N 0.75000000000000 0.14904535104733 0.75000000000000 14.007 > 52 53 N 0.75000000000000 0.48237868438066 0.75000000000000 14.007 > 52 54 N 0.75000000000000 0.81571201771400 0.75000000000000 14.007 > 52 55 N 0.25000000000000 0.14904535104733 0.75000000000000 14.007 > 55 56 N 0.25000000000000 0.48237868438066 0.75000000000000 14.007 > 55 57 N 0.25000000000000 0.81571201771400 0.75000000000000 14.007 > 55 58 N 0.25000000000000 0.18428798228600 0.25000000000000 14.007 > 58 59 N 0.25000000000000 0.51762131561934 0.25000000000000 14.007 > 58 60 N 0.25000000000000 0.85095464895267 0.25000000000000 14.007 > 58 61 N 0.50000000000000 0.28777090381704 0.87346742122403 14.007 > 61 62 N 0.50000000000000 0.62110423715037 0.87346742122403 14.007 > 61 63 N 0.50000000000000 0.95443757048371 0.87346742122403 14.007 > 61 64 N 0.00000000000000 0.28777090381704 0.62653257877597 14.007 > 64 65 N 0.00000000000000 0.62110423715037 0.62653257877597 14.007 > 64 66 N 0.00000000000000 0.95443757048371 0.62653257877597 14.007 > 64 67 N 0.00000000000000 0.04556242951629 0.37346742122403 14.007 > 67 68 N 0.00000000000000 0.37889576284963 0.37346742122403 14.007 > 67 69 N 0.00000000000000 0.71222909618296 0.37346742122403 14.007 > 67 70 N 0.50000000000000 0.04556242951629 0.12653257877597 14.007 > 70 71 N 0.50000000000000 0.37889576284963 0.12653257877597 14.007 > 70 72 N 0.50000000000000 0.71222909618296 0.12653257877597 14.007 > 70 73 N 0.00000000000000 0.00000000000000 0.50000000000000 14.007 > 73 74 N 0.00000000000000 0.33333333333333 0.50000000000000 14.007 > 73 75 N 0.00000000000000 0.66666666666667 0.50000000000000 14.007 > 73 76 N 0.50000000000000 0.00000000000000 0.00000000000000 14.007 > 76 77 N 0.50000000000000 0.33333333333333 0.00000000000000 14.007 > 76 78 N 0.50000000000000 0.66666666666667 0.00000000000000 14.007 > 76 79 N 0.63342451921874 0.00000000000000 0.50000000000000 14.007 > 79 80 N 0.63342451921874 0.33333333333333 0.50000000000000 14.007 > 79 81 N 0.63342451921874 0.66666666666667 0.50000000000000 14.007 > 79 82 N 0.86657548078126 0.00000000000000 0.00000000000000 14.007 > 82 83 N 0.86657548078126 0.33333333333333 0.00000000000000 14.007 > 82 84 N 0.86657548078126 0.66666666666667 0.00000000000000 14.007 > 82 85 N 0.36657548078126 0.00000000000000 0.50000000000000 14.007 > 85 86 N 0.36657548078126 0.33333333333333 0.50000000000000 14.007 > 85 87 N 0.36657548078126 0.66666666666667 0.50000000000000 14.007 > 85 88 N 0.13342451921874 0.00000000000000 0.00000000000000 14.007 > 88 89 N 0.13342451921874 0.33333333333333 0.00000000000000 14.007 > 88 90 N 0.13342451921874 0.66666666666667 0.00000000000000 14.007 > 88 91 N 0.50000000000000 0.00000000000000 0.50000000000000 14.007 > 91 92 N 0.50000000000000 0.33333333333333 0.50000000000000 14.007 > 91 93 N 0.50000000000000 0.66666666666667 0.50000000000000 14.007 > 91 94 N 0.00000000000000 0.00000000000000 0.00000000000000 14.007 > 94 95 N 0.00000000000000 0.33333333333333 0.00000000000000 14.007 > 94 96 N 0.00000000000000 0.66666666666667 0.00000000000000 14.007 > 94 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 3.0178610 0.0000000 0.0000000 0.0000000 2.3909613 0.0000000 0.0000000 0.0000000 2.8857726 -------------------------- Born effective charges -------------------------- 1 H 0.7252170 0.3447617 0.2075444 0.4287162 0.5572460 0.2212137 0.5195461 0.3684502 0.5247077 2 H 0.7252170 -0.3447617 0.2075444 -0.4287162 0.5572460 -0.2212137 0.5195461 -0.3684502 0.5247077 3 H 0.7252170 0.3447617 -0.2075444 0.4287162 0.5572460 -0.2212137 -0.5195461 -0.3684502 0.5247077 4 H 0.7252170 -0.3447617 -0.2075444 -0.4287162 0.5572460 0.2212137 -0.5195461 0.3684502 0.5247077 5 H 0.7252170 0.3447617 0.2075444 0.4287162 0.5572460 0.2212137 0.5195461 0.3684502 0.5247077 6 H 0.7252170 -0.3447617 0.2075444 -0.4287162 0.5572460 -0.2212137 0.5195461 -0.3684502 0.5247077 7 H 0.7252170 0.3447617 -0.2075444 0.4287162 0.5572460 -0.2212137 -0.5195461 -0.3684502 0.5247077 8 H 0.7252170 -0.3447617 -0.2075444 -0.4287162 0.5572460 0.2212137 -0.5195461 0.3684502 0.5247077 9 H 0.5238310 -0.4229061 -0.5608830 -0.2185951 0.5485648 0.4250357 -0.2045376 0.3536064 0.6991565 10 H 0.5238310 0.4229061 -0.5608830 0.2185951 0.5485648 -0.4250357 -0.2045376 -0.3536064 0.6991565 11 H 0.5238310 -0.4229061 0.5608830 -0.2185951 0.5485648 -0.4250357 0.2045376 -0.3536064 0.6991565 12 H 0.5238310 0.4229061 0.5608830 0.2185951 0.5485648 0.4250357 0.2045376 0.3536064 0.6991565 13 H 0.5238310 -0.4229061 -0.5608830 -0.2185951 0.5485648 0.4250357 -0.2045376 0.3536064 0.6991565 14 H 0.5238310 0.4229061 -0.5608830 0.2185951 0.5485648 -0.4250357 -0.2045376 -0.3536064 0.6991565 15 H 0.5238310 -0.4229061 0.5608830 -0.2185951 0.5485648 -0.4250357 0.2045376 -0.3536064 0.6991565 16 H 0.5238310 0.4229061 0.5608830 0.2185951 0.5485648 0.4250357 0.2045376 0.3536064 0.6991565 17 N -1.0586522 0.0000000 0.4003925 0.0000000 -0.9091000 0.0000000 -0.3349169 0.0000000 -1.0459900 18 N -1.0586522 0.0000000 -0.4003925 0.0000000 -0.9091000 0.0000000 0.3349169 0.0000000 -1.0459900 19 N -1.0586522 0.0000000 0.4003925 0.0000000 -0.9091000 0.0000000 -0.3349169 0.0000000 -1.0459900 20 N -1.0586522 0.0000000 -0.4003925 0.0000000 -0.9091000 0.0000000 0.3349169 0.0000000 -1.0459900 21 N -0.7179667 0.0000000 0.0000000 0.0000000 -0.9766518 -0.9110269 0.0000000 -1.0117835 -2.1913987 22 N -0.7179667 0.0000000 0.0000000 0.0000000 -0.9766518 0.9110269 0.0000000 1.0117835 -2.1913987 23 N -0.7179667 0.0000000 0.0000000 0.0000000 -0.9766518 0.9110269 0.0000000 1.0117835 -2.1913987 24 N -0.7179667 0.0000000 0.0000000 0.0000000 -0.9766518 -0.9110269 0.0000000 -1.0117835 -2.1913987 25 N -0.1764115 0.0000000 0.0000000 0.0000000 0.6689151 -1.4830625 0.0000000 -1.4861226 3.1501914 26 N -0.1764115 0.0000000 0.0000000 0.0000000 0.6689151 1.4830625 0.0000000 1.4861226 3.1501914 27 N -2.5414374 0.0000000 0.0000000 0.0000000 -0.5805406 -0.2668181 0.0000000 -0.2063533 -0.7132550 28 N -2.5414374 0.0000000 0.0000000 0.0000000 -0.5805406 0.2668181 0.0000000 0.2063533 -0.7132550 29 N -2.5414374 0.0000000 0.0000000 0.0000000 -0.5805406 -0.2668181 0.0000000 -0.2063533 -0.7132550 30 N -2.5414374 0.0000000 0.0000000 0.0000000 -0.5805406 0.2668181 0.0000000 0.2063533 -0.7132550 31 N 3.8163321 0.0000000 0.0000000 0.0000000 -0.1595732 -0.1605826 0.0000000 -0.1561716 -0.1443609 32 N 3.8163321 0.0000000 0.0000000 0.0000000 -0.1595732 0.1605826 0.0000000 0.1561716 -0.1443609 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000000 (xxx) -0.00000000 (xxx) -0.00000000 (xxx) 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 ... [ 6 13 6 ] 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: 0.63, Number of G-points: 297, Lambda: 0.11 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/112) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 2.269 ( 0.000 0.000 0.000) 0.000 2.389 ( 0.000 0.000 0.000) 0.000 2.601 ( 0.000 0.000 0.000) 0.000 2.727 ( 0.000 0.000 0.000) 0.000 2.801 ( 0.000 0.000 0.000) 0.000 2.888 ( 0.000 0.000 0.000) 0.000 3.027 ( 0.000 0.000 0.000) 0.000 3.228 ( 0.000 0.000 0.000) 0.000 3.262 ( 0.000 0.000 0.000) 0.000 3.512 ( 0.000 0.000 0.000) 0.000 3.564 ( 0.000 0.000 0.000) 0.000 3.824 ( 0.000 0.000 0.000) 0.000 4.013 ( 0.000 0.000 0.000) 0.000 4.424 ( 0.000 0.000 0.000) 0.000 4.997 ( 0.000 0.000 0.000) 0.000 5.534 ( 0.000 0.000 0.000) 0.000 5.757 ( 0.000 0.000 0.000) 0.000 5.892 ( 0.000 0.000 0.000) 0.000 6.103 ( 0.000 0.000 0.000) 0.000 6.349 ( 0.000 0.000 0.000) 0.000 6.722 ( 0.000 0.000 0.000) 0.000 6.877 ( 0.000 0.000 0.000) 0.000 7.127 ( 0.000 0.000 0.000) 0.000 7.313 ( 0.000 0.000 0.000) 0.000 7.345 ( 0.000 0.000 0.000) 0.000 7.576 ( 0.000 0.000 0.000) 0.000 7.944 ( 0.000 0.000 0.000) 0.000 8.115 ( 0.000 0.000 0.000) 0.000 8.353 ( 0.000 0.000 0.000) 0.000 15.025 ( 0.000 0.000 0.000) 0.000 15.255 ( 0.000 0.000 0.000) 0.000 15.301 ( 0.000 0.000 0.000) 0.000 15.732 ( 0.000 0.000 0.000) 0.000 15.882 ( 0.000 0.000 0.000) 0.000 15.936 ( 0.000 0.000 0.000) 0.000 16.048 ( 0.000 0.000 0.000) 0.000 16.056 ( 0.000 0.000 0.000) 0.000 16.126 ( 0.000 0.000 0.000) 0.000 16.169 ( 0.000 0.000 0.000) 0.000 16.188 ( 0.000 0.000 0.000) 0.000 16.555 ( 0.000 0.000 0.000) 0.000 18.694 ( 0.000 0.000 0.000) 0.000 18.701 ( 0.000 0.000 0.000) 0.000 18.730 ( 0.000 0.000 0.000) 0.000 18.732 ( 0.000 0.000 0.000) 0.000 19.768 ( 0.000 0.000 0.000) 0.000 19.779 ( 0.000 0.000 0.000) 0.000 20.150 ( 0.000 0.000 0.000) 0.000 20.215 ( 0.000 0.000 0.000) 0.000 41.606 ( 0.000 0.000 0.000) 0.000 41.620 ( 0.000 0.000 0.000) 0.000 41.774 ( 0.000 0.000 0.000) 0.000 41.775 ( 0.000 0.000 0.000) 0.000 41.823 ( 0.000 0.000 0.000) 0.000 41.844 ( 0.000 0.000 0.000) 0.000 41.980 ( 0.000 0.000 0.000) 0.000 42.114 ( 0.000 0.000 0.000) 0.000 42.239 ( 0.000 0.000 0.000) 0.000 42.300 ( 0.000 0.000 0.000) 0.000 42.818 ( 0.000 0.000 0.000) 0.000 42.869 ( 0.000 0.000 0.000) 0.000 42.972 ( 0.000 0.000 0.000) 0.000 42.992 ( 0.000 0.000 0.000) 0.000 43.109 ( 0.000 0.000 0.000) 0.000 43.503 ( 0.000 0.000 0.000) 0.000 49.634 ( 0.000 0.000 0.000) 0.000 49.768 ( 0.000 0.000 0.000) 0.000 49.898 ( 0.000 0.000 0.000) 0.000 50.167 ( 0.000 0.000 0.000) 0.000 50.237 ( 0.000 0.000 0.000) 0.000 50.435 ( 0.000 0.000 0.000) 0.000 50.500 ( 0.000 0.000 0.000) 0.000 50.860 ( 0.000 0.000 0.000) 0.000 65.338 ( 0.000 0.000 0.000) 0.000 65.421 ( 0.000 0.000 0.000) 0.000 66.607 ( 0.000 0.000 0.000) 0.000 67.158 ( 0.000 0.000 0.000) 0.000 88.434 ( 0.000 0.000 0.000) 0.000 88.497 ( 0.000 0.000 0.000) 0.000 88.529 ( 0.000 0.000 0.000) 0.000 88.540 ( 0.000 0.000 0.000) 0.000 88.617 ( 0.000 0.000 0.000) 0.000 88.772 ( 0.000 0.000 0.000) 0.000 88.936 ( 0.000 0.000 0.000) 0.000 88.974 ( 0.000 0.000 0.000) 0.000 89.030 ( 0.000 0.000 0.000) 0.000 89.043 ( 0.000 0.000 0.000) 0.000 89.069 ( 0.000 0.000 0.000) 0.000 89.076 ( 0.000 0.000 0.000) 0.000 89.132 ( 0.000 0.000 0.000) 0.000 91.123 ( 0.000 0.000 0.000) 0.000 91.652 ( 0.000 0.000 0.000) 0.000 92.039 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/112) ======================= q-point: ( 0.17 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.392 ( 21.252 0.000 0.000) 21.252 0.551 ( 28.824 0.000 0.000) 28.824 1.150 ( 59.673 0.000 0.000) 59.673 2.019 ( -17.261 0.000 0.000) 17.261 2.440 ( -14.538 0.000 0.000) 14.538 2.546 ( 7.417 0.000 0.000) 7.417 2.773 ( 1.029 0.000 0.000) 1.029 2.863 ( 6.557 0.000 0.000) 6.557 2.883 ( -0.541 0.000 0.000) 0.541 3.077 ( 8.124 0.000 0.000) 8.124 3.188 ( -3.888 0.000 0.000) 3.888 3.285 ( 0.979 0.000 0.000) 0.979 3.531 ( 1.920 0.000 0.000) 1.920 3.602 ( 3.514 0.000 0.000) 3.514 3.934 ( 9.846 0.000 0.000) 9.846 4.033 ( 1.766 0.000 0.000) 1.766 4.333 ( -9.375 0.000 0.000) 9.375 4.827 ( -18.216 0.000 0.000) 18.216 5.567 ( 3.444 0.000 0.000) 3.444 5.767 ( 1.869 0.000 0.000) 1.869 5.887 ( -0.799 0.000 0.000) 0.799 6.071 ( -2.820 0.000 0.000) 2.820 6.393 ( 4.477 0.000 0.000) 4.477 6.900 ( 2.546 0.000 0.000) 2.546 7.138 ( 1.112 0.000 0.000) 1.112 7.275 ( -7.894 0.000 0.000) 7.894 7.313 ( -0.140 0.000 0.000) 0.140 7.517 ( -5.937 0.000 0.000) 5.937 7.979 ( 3.631 0.000 0.000) 3.631 8.181 ( 6.988 0.000 0.000) 6.988 8.335 ( -1.958 0.000 0.000) 1.958 8.903 ( -4.719 0.000 0.000) 4.719 15.071 ( 4.749 0.000 0.000) 4.749 15.258 ( 0.341 0.000 0.000) 0.341 15.298 ( -0.308 0.000 0.000) 0.308 15.680 ( -5.288 0.000 0.000) 5.288 15.899 ( 1.628 0.000 0.000) 1.628 15.944 ( 0.855 0.000 0.000) 0.855 16.048 ( -0.804 0.000 0.000) 0.804 16.067 ( 1.200 0.000 0.000) 1.200 16.100 ( -2.218 0.000 0.000) 2.218 16.174 ( 0.037 0.000 0.000) 0.037 16.206 ( 1.941 0.000 0.000) 1.941 16.525 ( -3.068 0.000 0.000) 3.068 18.696 ( 0.163 0.000 0.000) 0.163 18.702 ( 0.092 0.000 0.000) 0.092 18.729 ( -0.122 0.000 0.000) 0.122 18.730 ( -0.170 0.000 0.000) 0.170 19.782 ( 0.352 0.000 0.000) 0.352 19.815 ( -0.198 0.000 0.000) 0.198 20.155 ( 0.428 0.000 0.000) 0.428 20.211 ( -0.473 0.000 0.000) 0.473 41.603 ( -0.328 0.000 0.000) 0.328 41.614 ( -0.625 0.000 0.000) 0.625 41.763 ( -0.718 0.000 0.000) 0.718 41.770 ( -0.422 0.000 0.000) 0.422 41.832 ( 0.886 0.000 0.000) 0.886 41.920 ( 7.261 0.000 0.000) 7.261 41.965 ( -1.523 0.000 0.000) 1.523 42.128 ( 1.324 0.000 0.000) 1.324 42.233 ( -0.635 0.000 0.000) 0.635 42.382 ( 2.743 0.000 0.000) 2.743 42.807 ( -6.048 0.000 0.000) 6.048 42.838 ( 2.088 0.000 0.000) 2.088 42.931 ( -4.243 0.000 0.000) 4.243 43.090 ( -1.981 0.000 0.000) 1.981 43.298 ( 2.209 0.000 0.000) 2.209 43.490 ( -1.369 0.000 0.000) 1.369 49.648 ( 1.462 0.000 0.000) 1.462 49.763 ( -0.525 0.000 0.000) 0.525 49.935 ( 3.870 0.000 0.000) 3.870 50.184 ( 1.803 0.000 0.000) 1.803 50.282 ( 4.661 0.000 0.000) 4.661 50.400 ( -3.620 0.000 0.000) 3.620 50.474 ( -2.722 0.000 0.000) 2.722 50.821 ( -4.070 0.000 0.000) 4.070 65.416 ( 8.085 0.000 0.000) 8.085 66.513 ( -9.708 0.000 0.000) 9.708 67.171 ( 1.307 0.000 0.000) 1.307 67.248 ( 0.001 0.000 0.000) 0.001 88.416 ( -1.700 0.000 0.000) 1.700 88.483 ( -4.199 0.000 0.000) 4.199 88.533 ( 0.461 0.000 0.000) 0.461 88.652 ( 2.208 0.000 0.000) 2.208 88.709 ( -3.726 0.000 0.000) 3.726 88.760 ( -1.168 0.000 0.000) 1.168 88.917 ( -0.932 0.000 0.000) 0.932 88.955 ( -1.361 0.000 0.000) 1.361 89.091 ( 2.247 0.000 0.000) 2.247 89.109 ( 5.302 0.000 0.000) 5.302 89.128 ( 4.379 0.000 0.000) 4.379 89.167 ( 2.912 0.000 0.000) 2.912 91.136 ( 1.633 0.000 0.000) 1.633 91.609 ( -4.632 0.000 0.000) 4.632 91.715 ( 2.652 0.000 0.000) 2.652 92.009 ( -2.969 0.000 0.000) 2.969 ======================= Grid point 2 (3/112) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.797 ( 21.597 0.000 0.000) 21.597 1.065 ( 24.418 0.000 0.000) 24.418 1.685 ( -16.702 0.000 0.000) 16.702 2.096 ( -21.211 0.000 0.000) 21.211 2.196 ( 49.129 0.000 0.000) 49.129 2.641 ( 3.531 0.000 0.000) 3.531 2.751 ( -2.446 0.000 0.000) 2.446 2.864 ( -1.628 0.000 0.000) 1.628 3.018 ( 8.799 0.000 0.000) 8.799 3.155 ( 2.925 0.000 0.000) 2.925 3.247 ( -0.801 0.000 0.000) 0.801 3.352 ( 14.595 0.000 0.000) 14.595 3.575 ( 2.374 0.000 0.000) 2.374 3.667 ( 3.026 0.000 0.000) 3.026 4.015 ( -9.771 0.000 0.000) 9.771 4.091 ( -15.678 0.000 0.000) 15.678 4.119 ( 8.282 0.000 0.000) 8.282 4.383 ( -22.217 0.000 0.000) 22.217 5.658 ( 5.886 0.000 0.000) 5.886 5.838 ( 5.183 0.000 0.000) 5.183 5.853 ( -3.039 0.000 0.000) 3.039 6.013 ( -3.400 0.000 0.000) 3.400 6.519 ( 9.334 0.000 0.000) 9.334 6.975 ( 5.459 0.000 0.000) 5.459 7.050 ( -15.168 0.000 0.000) 15.168 7.155 ( -0.095 0.000 0.000) 0.095 7.306 ( -0.592 0.000 0.000) 0.592 7.381 ( -7.359 0.000 0.000) 7.359 8.071 ( 5.791 0.000 0.000) 5.791 8.278 ( -4.132 0.000 0.000) 4.132 8.361 ( 11.452 0.000 0.000) 11.452 8.775 ( -8.767 0.000 0.000) 8.767 15.196 ( 8.289 0.000 0.000) 8.289 15.267 ( 0.574 0.000 0.000) 0.574 15.290 ( -0.541 0.000 0.000) 0.541 15.545 ( -8.642 0.000 0.000) 8.642 15.937 ( 2.331 0.000 0.000) 2.331 15.967 ( 1.672 0.000 0.000) 1.672 16.023 ( -1.810 0.000 0.000) 1.810 16.053 ( -2.644 0.000 0.000) 2.644 16.098 ( 1.930 0.000 0.000) 1.930 16.164 ( -1.085 0.000 0.000) 1.085 16.262 ( 3.952 0.000 0.000) 3.952 16.447 ( -4.952 0.000 0.000) 4.952 18.700 ( 0.246 0.000 0.000) 0.246 18.704 ( 0.076 0.000 0.000) 0.076 18.726 ( -0.159 0.000 0.000) 0.159 18.726 ( -0.198 0.000 0.000) 0.198 19.791 ( 0.538 0.000 0.000) 0.538 19.810 ( -0.385 0.000 0.000) 0.385 20.166 ( 0.757 0.000 0.000) 0.757 20.198 ( -0.801 0.000 0.000) 0.801 41.596 ( -0.312 0.000 0.000) 0.312 41.601 ( -0.606 0.000 0.000) 0.606 41.754 ( -0.230 0.000 0.000) 0.230 41.761 ( -0.478 0.000 0.000) 0.478 41.855 ( 1.608 0.000 0.000) 1.608 41.929 ( -2.075 0.000 0.000) 2.075 42.098 ( 11.168 0.000 0.000) 11.168 42.158 ( 1.705 0.000 0.000) 1.705 42.215 ( -1.188 0.000 0.000) 1.188 42.428 ( 0.221 0.000 0.000) 0.221 42.682 ( -5.095 0.000 0.000) 5.095 42.824 ( -6.743 0.000 0.000) 6.743 42.892 ( 3.565 0.000 0.000) 3.565 43.038 ( -3.458 0.000 0.000) 3.458 43.348 ( 2.930 0.000 0.000) 2.930 43.454 ( -2.380 0.000 0.000) 2.380 49.683 ( 2.063 0.000 0.000) 2.063 49.747 ( -1.125 0.000 0.000) 1.125 50.036 ( 6.604 0.000 0.000) 6.604 50.235 ( 3.578 0.000 0.000) 3.578 50.304 ( -6.355 0.000 0.000) 6.355 50.402 ( 7.805 0.000 0.000) 7.805 50.404 ( -4.498 0.000 0.000) 4.498 50.713 ( -7.222 0.000 0.000) 7.222 65.632 ( 14.479 0.000 0.000) 14.479 66.263 ( -16.084 0.000 0.000) 16.084 67.202 ( 1.718 0.000 0.000) 1.718 67.245 ( -0.417 0.000 0.000) 0.417 88.384 ( -1.298 0.000 0.000) 1.298 88.412 ( -3.017 0.000 0.000) 3.017 88.548 ( 1.167 0.000 0.000) 1.167 88.636 ( -3.630 0.000 0.000) 3.630 88.686 ( 1.491 0.000 0.000) 1.491 88.735 ( -1.327 0.000 0.000) 1.327 88.911 ( 0.171 0.000 0.000) 0.171 88.933 ( -0.911 0.000 0.000) 0.911 89.145 ( 3.237 0.000 0.000) 3.237 89.201 ( 3.942 0.000 0.000) 3.942 89.208 ( 3.455 0.000 0.000) 3.455 89.209 ( 1.026 0.000 0.000) 1.026 91.197 ( 5.075 0.000 0.000) 5.075 91.485 ( -8.129 0.000 0.000) 8.129 91.780 ( 3.993 0.000 0.000) 3.993 91.939 ( -4.155 0.000 0.000) 4.155 ======================= Grid point 3 (4/112) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.176 ( -16.184 0.000 0.000) 16.184 1.176 ( 16.184 0.000 0.000) 16.184 1.684 ( -20.067 0.000 0.000) 20.067 1.684 ( 20.067 0.000 0.000) 20.067 2.699 ( -2.877 0.000 0.000) 2.877 2.699 ( 2.877 0.000 0.000) 2.877 2.781 ( -11.042 0.000 0.000) 11.042 2.781 ( 11.042 0.000 0.000) 11.042 3.165 ( -6.439 0.000 0.000) 6.439 3.165 ( 6.439 0.000 0.000) 6.439 3.493 ( -33.882 0.000 0.000) 33.882 3.493 ( 33.882 0.000 0.000) 33.882 3.585 ( -3.908 0.000 0.000) 3.908 3.585 ( 3.908 0.000 0.000) 3.908 3.787 ( -13.863 0.000 0.000) 13.863 3.787 ( 13.863 0.000 0.000) 13.863 4.220 ( -2.984 0.000 0.000) 2.984 4.220 ( 2.984 0.000 0.000) 2.984 5.770 ( -5.556 0.000 0.000) 5.556 5.770 ( 5.556 0.000 0.000) 5.556 5.937 ( -4.835 0.000 0.000) 4.835 5.937 ( 4.835 0.000 0.000) 4.835 6.752 ( -15.130 0.000 0.000) 15.130 6.752 ( 15.130 0.000 0.000) 15.130 7.094 ( -6.238 0.000 0.000) 6.238 7.094 ( 6.238 0.000 0.000) 6.238 7.301 ( -0.857 0.000 0.000) 0.857 7.301 ( 0.857 0.000 0.000) 0.857 8.183 ( -5.776 0.000 0.000) 5.776 8.183 ( 5.776 0.000 0.000) 5.776 8.582 ( -11.429 0.000 0.000) 11.429 8.582 ( 11.429 0.000 0.000) 11.429 15.279 ( -0.641 0.000 0.000) 0.641 15.279 ( 0.641 0.000 0.000) 0.641 15.369 ( -9.714 0.000 0.000) 9.714 15.369 ( 9.714 0.000 0.000) 9.714 15.983 ( -2.401 0.000 0.000) 2.401 15.983 ( 2.401 0.000 0.000) 2.401 16.006 ( -2.344 0.000 0.000) 2.344 16.006 ( 2.344 0.000 0.000) 2.344 16.135 ( -1.887 0.000 0.000) 1.887 16.135 ( 1.887 0.000 0.000) 1.887 16.349 ( -5.168 0.000 0.000) 5.168 16.349 ( 5.168 0.000 0.000) 5.168 18.703 ( -0.131 0.000 0.000) 0.131 18.703 ( 0.131 0.000 0.000) 0.131 18.724 ( -0.009 0.000 0.000) 0.009 18.724 ( 0.009 0.000 0.000) 0.009 19.801 ( -0.525 0.000 0.000) 0.525 19.801 ( 0.525 0.000 0.000) 0.525 20.182 ( -0.899 0.000 0.000) 0.899 20.182 ( 0.899 0.000 0.000) 0.899 41.594 ( -0.131 0.000 0.000) 0.131 41.594 ( 0.131 0.000 0.000) 0.131 41.754 ( -0.203 0.000 0.000) 0.203 41.754 ( 0.203 0.000 0.000) 0.203 41.890 ( -2.037 0.000 0.000) 2.037 41.890 ( 2.037 0.000 0.000) 2.037 42.189 ( -1.579 0.000 0.000) 1.579 42.189 ( 1.579 0.000 0.000) 1.579 42.314 ( -10.768 0.000 0.000) 10.768 42.314 ( 10.768 0.000 0.000) 10.768 42.699 ( -5.597 0.000 0.000) 5.597 42.699 ( 5.597 0.000 0.000) 5.597 42.966 ( -4.048 0.000 0.000) 4.048 42.966 ( 4.048 0.000 0.000) 4.048 43.403 ( -2.904 0.000 0.000) 2.904 43.403 ( 2.904 0.000 0.000) 2.904 49.720 ( -1.762 0.000 0.000) 1.762 49.720 ( 1.762 0.000 0.000) 1.762 50.171 ( -7.478 0.000 0.000) 7.478 50.171 ( 7.478 0.000 0.000) 7.478 50.314 ( -4.738 0.000 0.000) 4.738 50.314 ( 4.738 0.000 0.000) 4.738 50.561 ( -8.648 0.000 0.000) 8.648 50.561 ( 8.648 0.000 0.000) 8.648 65.939 ( -17.573 0.000 0.000) 17.573 65.939 ( 17.573 0.000 0.000) 17.573 67.230 ( -1.196 0.000 0.000) 1.196 67.230 ( 1.196 0.000 0.000) 1.196 88.377 ( -0.696 0.000 0.000) 0.696 88.377 ( 0.696 0.000 0.000) 0.696 88.580 ( -2.310 0.000 0.000) 2.310 88.580 ( 2.310 0.000 0.000) 2.310 88.711 ( -1.258 0.000 0.000) 1.258 88.711 ( 1.258 0.000 0.000) 1.258 88.919 ( -0.612 0.000 0.000) 0.612 88.919 ( 0.612 0.000 0.000) 0.612 89.198 ( -2.008 0.000 0.000) 2.008 89.198 ( 2.008 0.000 0.000) 2.008 89.241 ( -0.121 0.000 0.000) 0.121 89.241 ( 0.121 0.000 0.000) 0.121 91.325 ( -8.236 0.000 0.000) 8.236 91.325 ( 8.236 0.000 0.000) 8.236 91.859 ( -4.322 0.000 0.000) 4.322 91.859 ( 4.322 0.000 0.000) 4.322 ======================= Grid point 7 (5/112) ======================= q-point: ( 0.00 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.424 ( 0.000 21.196 0.000) 21.196 0.707 ( 0.000 33.748 0.000) 33.748 0.935 ( 0.000 44.033 0.000) 44.033 2.378 ( 0.000 9.997 0.000) 9.997 2.418 ( 0.000 2.820 0.000) 2.820 2.661 ( 0.000 4.438 0.000) 4.438 2.710 ( 0.000 -2.972 0.000) 2.972 2.819 ( 0.000 1.545 0.000) 1.545 2.900 ( 0.000 1.144 0.000) 1.144 3.054 ( 0.000 2.699 0.000) 2.699 3.103 ( 0.000 -1.730 0.000) 1.730 3.469 ( 0.000 -3.926 0.000) 3.926 3.473 ( 0.000 11.059 0.000) 11.059 3.613 ( 0.000 4.714 0.000) 4.714 3.754 ( 0.000 -6.585 0.000) 6.585 3.977 ( 0.000 -3.443 0.000) 3.443 4.367 ( 0.000 -4.786 0.000) 4.786 5.084 ( 0.000 7.793 0.000) 7.793 5.679 ( 0.000 -7.080 0.000) 7.080 5.775 ( 0.000 1.637 0.000) 1.637 5.907 ( 0.000 1.344 0.000) 1.344 6.208 ( 0.000 8.622 0.000) 8.622 6.313 ( 0.000 -3.536 0.000) 3.536 6.652 ( 0.000 -5.966 0.000) 5.966 7.144 ( 0.000 1.354 0.000) 1.354 7.283 ( 0.000 -5.881 0.000) 5.881 7.363 ( 0.000 4.157 0.000) 4.157 7.548 ( 0.000 -3.076 0.000) 3.076 7.942 ( 0.000 -0.134 0.000) 0.134 8.052 ( 0.000 -5.789 0.000) 5.789 8.320 ( 0.000 -3.001 0.000) 3.001 9.034 ( 0.000 -4.238 0.000) 4.238 15.016 ( 0.000 -0.942 0.000) 0.942 15.237 ( 0.000 -1.691 0.000) 1.691 15.259 ( 0.000 -4.024 0.000) 4.024 15.693 ( 0.000 -3.744 0.000) 3.744 15.868 ( 0.000 -0.924 0.000) 0.924 15.963 ( 0.000 2.522 0.000) 2.522 15.983 ( 0.000 -4.478 0.000) 4.478 16.068 ( 0.000 -0.541 0.000) 0.541 16.167 ( 0.000 -0.281 0.000) 0.281 16.169 ( 0.000 3.693 0.000) 3.693 16.204 ( 0.000 1.652 0.000) 1.652 16.512 ( 0.000 -4.033 0.000) 4.033 18.706 ( 0.000 0.406 0.000) 0.406 18.730 ( 0.000 0.366 0.000) 0.366 18.736 ( 0.000 0.371 0.000) 0.371 18.744 ( 0.000 0.042 0.000) 0.042 19.765 ( 0.000 -0.329 0.000) 0.329 19.782 ( 0.000 0.320 0.000) 0.320 20.151 ( 0.000 0.092 0.000) 0.092 20.254 ( 0.000 0.234 0.000) 0.234 41.605 ( 0.000 -0.092 0.000) 0.092 41.615 ( 0.000 -0.523 0.000) 0.523 41.773 ( 0.000 -0.057 0.000) 0.057 41.774 ( 0.000 -0.165 0.000) 0.165 41.857 ( 0.000 3.429 0.000) 3.429 41.899 ( 0.000 5.170 0.000) 5.170 42.121 ( 0.000 0.716 0.000) 0.716 42.203 ( 0.000 4.655 0.000) 4.655 42.288 ( 0.000 4.709 0.000) 4.709 42.327 ( 0.000 2.572 0.000) 2.572 42.842 ( 0.000 2.355 0.000) 2.355 42.880 ( 0.000 1.121 0.000) 1.121 42.962 ( 0.000 -0.489 0.000) 0.489 43.010 ( 0.000 1.720 0.000) 1.720 43.169 ( 0.000 5.153 0.000) 5.153 43.508 ( 0.000 0.614 0.000) 0.614 49.617 ( 0.000 -1.795 0.000) 1.795 49.738 ( 0.000 -3.081 0.000) 3.081 49.864 ( 0.000 -3.402 0.000) 3.402 50.102 ( 0.000 -6.170 0.000) 6.170 50.206 ( 0.000 -2.731 0.000) 2.731 50.376 ( 0.000 -5.740 0.000) 5.740 50.475 ( 0.000 -2.914 0.000) 2.914 50.822 ( 0.000 -3.635 0.000) 3.635 65.351 ( 0.000 1.219 0.000) 1.219 65.391 ( 0.000 -2.842 0.000) 2.842 67.035 ( 0.000 -11.790 0.000) 11.790 67.133 ( 0.000 -8.062 0.000) 8.062 88.433 ( 0.000 -0.098 0.000) 0.098 88.498 ( 0.000 0.129 0.000) 0.129 88.528 ( 0.000 -0.049 0.000) 0.049 88.537 ( 0.000 -0.269 0.000) 0.269 88.622 ( 0.000 0.397 0.000) 0.397 88.898 ( 0.000 -2.307 0.000) 2.307 88.972 ( 0.000 -0.228 0.000) 0.228 89.026 ( 0.000 -0.318 0.000) 0.318 89.044 ( 0.000 0.068 0.000) 0.068 89.070 ( 0.000 0.087 0.000) 0.087 89.089 ( 0.000 1.206 0.000) 1.206 89.121 ( 0.000 -1.033 0.000) 1.033 91.068 ( 0.000 -5.447 0.000) 5.447 91.595 ( 0.000 1.258 0.000) 1.258 91.612 ( 0.000 -3.813 0.000) 3.813 91.970 ( 0.000 -6.470 0.000) 6.470 ======================= Grid point 8 (6/112) ======================= q-point: ( 0.17 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.884 ( 16.757 25.876 0.000) 30.828 0.891 ( 12.654 28.992 0.000) 31.633 1.275 ( 46.971 15.007 0.000) 49.311 2.105 ( -16.833 7.830 0.000) 18.565 2.501 ( -14.393 5.724 0.000) 15.490 2.590 ( 6.339 4.077 0.000) 7.537 2.782 ( 3.268 -0.460 0.000) 3.300 2.880 ( 3.425 1.405 0.000) 3.702 2.910 ( 3.928 2.774 0.000) 4.808 3.007 ( 1.413 -3.744 0.000) 4.002 3.186 ( 5.181 3.868 0.000) 6.466 3.468 ( -0.526 10.845 0.000) 10.857 3.492 ( 2.266 -3.629 0.000) 4.278 3.634 ( 2.047 2.894 0.000) 3.545 3.873 ( 10.146 -5.166 0.000) 11.386 3.997 ( 1.641 -3.399 0.000) 3.774 4.276 ( -9.280 -4.689 0.000) 10.397 4.918 ( -17.624 8.111 0.000) 19.401 5.607 ( -1.766 -1.587 0.000) 2.374 5.759 ( -0.797 -0.287 0.000) 0.847 5.938 ( 2.788 4.258 0.000) 5.089 6.169 ( -2.582 8.920 0.000) 9.287 6.358 ( 4.208 -3.133 0.000) 5.246 6.863 ( 12.309 -6.537 0.000) 13.937 7.124 ( -1.254 -1.762 0.000) 2.163 7.221 ( -7.654 -5.128 0.000) 9.213 7.305 ( -4.261 3.067 0.000) 5.249 7.511 ( -3.935 -0.603 0.000) 3.981 7.963 ( 2.775 -1.103 0.000) 2.986 8.102 ( 5.311 -7.212 0.000) 8.956 8.316 ( -0.311 -1.924 0.000) 1.948 8.898 ( -9.133 -2.097 0.000) 9.370 15.058 ( 4.333 -1.339 0.000) 4.535 15.238 ( 0.044 -1.960 0.000) 1.960 15.258 ( -0.024 -3.759 0.000) 3.759 15.643 ( -5.088 -3.540 0.000) 6.198 15.879 ( 1.134 -1.177 0.000) 1.634 15.964 ( 0.073 1.843 0.000) 1.844 15.999 ( 1.615 -3.972 0.000) 4.288 16.071 ( 0.272 -0.178 0.000) 0.325 16.145 ( -1.473 2.581 0.000) 2.972 16.175 ( -0.234 1.028 0.000) 1.054 16.218 ( 1.528 1.362 0.000) 2.047 16.485 ( -2.789 -3.762 0.000) 4.683 18.707 ( 0.101 0.412 0.000) 0.424 18.716 ( -0.882 1.066 0.000) 1.383 18.734 ( -0.179 0.362 0.000) 0.404 18.734 ( -0.243 0.457 0.000) 0.518 19.784 ( 0.200 0.182 0.000) 0.270 19.787 ( 1.058 -1.573 0.000) 1.896 20.156 ( 0.481 0.137 0.000) 0.500 20.231 ( -1.399 1.132 0.000) 1.800 41.590 ( -0.861 -0.585 0.000) 1.041 41.607 ( -0.746 -0.602 0.000) 0.959 41.762 ( -0.823 -0.040 0.000) 0.824 41.765 ( -0.586 -0.117 0.000) 0.598 41.873 ( 1.354 3.812 0.000) 4.046 41.967 ( 6.890 4.617 0.000) 8.294 42.079 ( -5.287 8.193 0.000) 9.750 42.139 ( 1.618 1.067 0.000) 1.938 42.279 ( -0.927 4.445 0.000) 4.541 42.398 ( 3.745 1.826 0.000) 4.167 42.813 ( -5.602 0.849 0.000) 5.666 42.866 ( 1.988 2.626 0.000) 3.294 42.926 ( -3.719 -0.135 0.000) 3.721 43.144 ( -2.527 4.786 0.000) 5.412 43.197 ( 9.479 -4.681 0.000) 10.572 43.494 ( -1.439 0.555 0.000) 1.542 49.630 ( 1.341 -1.917 0.000) 2.339 49.733 ( -0.519 -3.008 0.000) 3.053 49.900 ( 3.688 -3.557 0.000) 5.124 50.121 ( 2.100 -5.886 0.000) 6.249 50.250 ( 4.540 -2.856 0.000) 5.364 50.343 ( -3.450 -5.588 0.000) 6.567 50.443 ( -3.047 -2.921 0.000) 4.221 50.781 ( -4.116 -3.689 0.000) 5.527 65.424 ( 7.613 0.794 0.000) 7.654 65.992 ( 26.931 -29.955 0.000) 40.281 67.044 ( 0.865 -12.138 0.000) 12.169 67.073 ( -3.971 -10.352 0.000) 11.088 88.416 ( -1.570 0.022 0.000) 1.570 88.483 ( -3.996 -0.101 0.000) 3.998 88.531 ( 0.063 -0.150 0.000) 0.163 88.598 ( 5.042 -3.336 0.000) 6.045 88.653 ( 2.117 0.023 0.000) 2.117 88.854 ( -5.618 1.541 0.000) 5.825 88.915 ( -3.215 0.110 0.000) 3.217 88.954 ( -1.215 -0.131 0.000) 1.222 89.083 ( 3.969 -1.891 0.000) 4.397 89.096 ( 2.672 0.376 0.000) 2.699 89.143 ( 4.345 1.374 0.000) 4.557 89.184 ( 3.565 0.798 0.000) 3.653 91.100 ( 2.286 -4.510 0.000) 5.056 91.566 ( -4.815 -3.988 0.000) 6.252 91.642 ( 3.690 -3.279 0.000) 4.937 91.939 ( -2.986 -6.499 0.000) 7.152 ======================= Grid point 9 (7/112) ======================= q-point: ( 0.33 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.104 ( 12.916 24.760 0.000) 27.926 1.252 ( 20.131 16.693 0.000) 26.152 1.788 ( -15.676 9.398 0.000) 18.277 2.161 ( -17.097 6.002 0.000) 18.120 2.206 ( 41.599 1.513 0.000) 41.626 2.669 ( 3.007 2.493 0.000) 3.906 2.778 ( -2.270 2.332 0.000) 3.254 2.872 ( -2.129 0.726 0.000) 2.249 3.072 ( 9.395 4.797 0.000) 10.549 3.099 ( 6.933 -2.218 0.000) 7.279 3.312 ( 4.896 4.765 0.000) 6.832 3.503 ( 7.993 12.393 0.000) 14.747 3.546 ( 3.162 -2.662 0.000) 4.133 3.670 ( 2.038 -0.026 0.000) 2.038 3.929 ( -15.326 -4.998 0.000) 16.121 4.060 ( 8.346 -5.039 0.000) 9.749 4.110 ( -3.372 -1.339 0.000) 3.628 4.465 ( -27.588 8.160 0.000) 28.770 5.634 ( 3.655 -2.919 0.000) 4.678 5.750 ( -0.777 -3.247 0.000) 3.339 6.000 ( 3.638 8.596 0.000) 9.334 6.122 ( -2.502 9.439 0.000) 9.765 6.476 ( 8.788 -3.639 0.000) 9.511 6.991 ( -15.036 -5.369 0.000) 15.965 7.043 ( 7.563 3.594 0.000) 8.374 7.123 ( 0.384 -3.585 0.000) 3.605 7.240 ( -2.336 -4.209 0.000) 4.814 7.399 ( -7.639 1.597 0.000) 7.805 8.042 ( 5.151 -2.676 0.000) 5.805 8.190 ( 0.764 -7.812 0.000) 7.849 8.355 ( 6.907 -1.010 0.000) 6.980 8.729 ( -9.358 -4.118 0.000) 10.224 15.168 ( 6.823 -2.786 0.000) 7.370 15.239 ( 0.058 -2.683 0.000) 2.684 15.261 ( 0.718 -2.610 0.000) 2.707 15.514 ( -8.241 -3.007 0.000) 8.773 15.907 ( 1.698 -1.481 0.000) 2.253 15.960 ( -0.673 -0.074 0.000) 0.678 16.037 ( 2.203 -1.378 0.000) 2.599 16.085 ( 1.375 0.541 0.000) 1.477 16.114 ( -1.821 3.305 0.000) 3.774 16.158 ( -1.533 0.291 0.000) 1.561 16.261 ( 3.052 0.245 0.000) 3.062 16.415 ( -4.377 -2.919 0.000) 5.261 18.709 ( -0.055 0.725 0.000) 0.727 18.709 ( 0.104 0.439 0.000) 0.452 18.730 ( -0.205 0.347 0.000) 0.403 18.730 ( -0.187 0.389 0.000) 0.431 19.789 ( 0.295 -0.169 0.000) 0.340 19.796 ( 0.074 -1.111 0.000) 1.113 20.169 ( 0.865 0.273 0.000) 0.907 20.208 ( -1.136 0.809 0.000) 1.395 41.580 ( -0.279 -1.175 0.000) 1.208 41.591 ( -0.808 -0.843 0.000) 1.168 41.750 ( -0.382 -0.169 0.000) 0.418 41.754 ( -0.522 -0.256 0.000) 0.581 41.906 ( 2.157 4.566 0.000) 5.050 42.006 ( -3.128 6.549 0.000) 7.257 42.138 ( 10.762 3.920 0.000) 11.454 42.176 ( 2.180 1.754 0.000) 2.798 42.254 ( -1.667 3.735 0.000) 4.090 42.454 ( 0.606 2.533 0.000) 2.604 42.694 ( -4.931 1.218 0.000) 5.079 42.829 ( -6.231 0.635 0.000) 6.264 42.922 ( 3.732 2.822 0.000) 4.679 43.081 ( -4.024 3.969 0.000) 5.652 43.322 ( 4.812 -1.869 0.000) 5.162 43.456 ( -2.609 0.305 0.000) 2.627 49.662 ( 1.849 -2.252 0.000) 2.914 49.719 ( -1.024 -2.901 0.000) 3.076 49.996 ( 6.291 -3.986 0.000) 7.447 50.180 ( 4.072 -5.130 0.000) 6.549 50.252 ( -6.053 -5.164 0.000) 7.957 50.367 ( -4.885 -3.426 0.000) 5.966 50.368 ( 7.636 -3.151 0.000) 8.261 50.673 ( -7.140 -3.672 0.000) 8.029 65.626 ( 13.409 -0.567 0.000) 13.421 66.132 ( -6.737 -11.980 0.000) 13.744 67.046 ( 0.736 -15.914 0.000) 15.931 67.061 ( 0.704 -13.246 0.000) 13.265 88.387 ( -1.230 0.218 0.000) 1.249 88.414 ( -2.937 0.137 0.000) 2.940 88.538 ( 0.773 -0.897 0.000) 1.184 88.614 ( -2.310 -1.651 0.000) 2.839 88.689 ( 1.770 0.176 0.000) 1.779 88.764 ( -3.024 1.900 0.000) 3.572 88.911 ( 1.007 0.042 0.000) 1.008 88.938 ( -0.533 0.304 0.000) 0.614 89.157 ( 3.454 0.943 0.000) 3.580 89.167 ( 4.295 -2.238 0.000) 4.843 89.218 ( 2.987 1.089 0.000) 3.179 89.233 ( 1.359 1.304 0.000) 1.883 91.160 ( 4.569 -3.951 0.000) 6.040 91.439 ( -8.294 -4.409 0.000) 9.393 91.715 ( 4.064 -5.167 0.000) 6.573 91.870 ( -4.042 -6.365 0.000) 7.540 ======================= Grid point 10 (8/112) ======================= q-point: (-0.50 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 104 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.365 ( -4.805 16.999 0.000) 17.665 1.365 ( 4.805 16.999 0.000) 17.665 1.774 ( -17.467 8.337 0.000) 19.354 1.774 ( 17.467 8.337 0.000) 19.354 2.716 ( -0.001 1.428 0.000) 1.428 2.716 ( 0.001 1.428 0.000) 1.428 2.772 ( -7.511 -0.478 0.000) 7.526 2.772 ( 7.511 -0.478 0.000) 7.526 3.210 ( -0.798 3.425 0.000) 3.516 3.210 ( 0.798 3.425 0.000) 3.516 3.478 ( -15.986 0.326 0.000) 15.989 3.478 ( 15.986 0.326 0.000) 15.989 3.614 ( -0.058 0.998 0.000) 1.000 3.614 ( 0.058 0.998 0.000) 1.000 3.884 ( -9.387 9.618 0.000) 13.440 3.884 ( 9.387 9.618 0.000) 13.440 4.165 ( -3.588 -5.041 0.000) 6.187 4.165 ( 3.588 -5.041 0.000) 6.187 5.710 ( -0.718 -3.891 0.000) 3.957 5.710 ( 0.718 -3.891 0.000) 3.957 6.068 ( -1.539 9.891 0.000) 10.010 6.068 ( 1.539 9.891 0.000) 10.010 6.699 ( -14.622 -4.640 0.000) 15.340 6.699 ( 14.622 -4.640 0.000) 15.340 7.132 ( -0.022 1.932 0.000) 1.932 7.132 ( 0.022 1.932 0.000) 1.932 7.258 ( -1.281 -3.105 0.000) 3.359 7.258 ( 1.281 -3.105 0.000) 3.359 8.139 ( -1.999 -4.339 0.000) 4.777 8.139 ( 1.999 -4.339 0.000) 4.777 8.539 ( -5.147 -3.784 0.000) 6.388 8.539 ( 5.147 -3.784 0.000) 6.388 15.237 ( -0.022 -3.836 0.000) 3.836 15.237 ( 0.022 -3.836 0.000) 3.836 15.350 ( -5.624 -1.836 0.000) 5.917 15.350 ( 5.624 -1.836 0.000) 5.917 15.938 ( -1.310 -1.347 0.000) 1.879 15.938 ( 1.310 -1.347 0.000) 1.879 16.077 ( -0.691 2.286 0.000) 2.389 16.077 ( 0.691 2.286 0.000) 2.389 16.121 ( -2.043 -0.000 0.000) 2.043 16.121 ( 2.043 -0.000 0.000) 2.043 16.331 ( -1.910 -1.461 0.000) 2.405 16.331 ( 1.910 -1.461 0.000) 2.405 18.709 ( -0.016 0.514 0.000) 0.515 18.709 ( 0.016 0.514 0.000) 0.515 18.728 ( -0.003 0.353 0.000) 0.353 18.728 ( 0.003 0.353 0.000) 0.353 19.794 ( -0.151 -0.614 0.000) 0.632 19.794 ( 0.151 -0.614 0.000) 0.632 20.187 ( -0.850 0.492 0.000) 0.982 20.187 ( 0.850 0.492 0.000) 0.982 41.580 ( -0.078 -1.115 0.000) 1.118 41.580 ( 0.078 -1.115 0.000) 1.118 41.748 ( -0.013 -0.274 0.000) 0.274 41.748 ( 0.013 -0.274 0.000) 0.274 41.952 ( -1.750 5.453 0.000) 5.727 41.952 ( 1.751 5.453 0.000) 5.727 42.217 ( -1.557 2.711 0.000) 3.127 42.217 ( 1.557 2.711 0.000) 3.127 42.347 ( -10.022 3.223 0.000) 10.527 42.347 ( 10.022 3.223 0.000) 10.527 42.712 ( -5.431 1.193 0.000) 5.560 42.712 ( 5.431 1.193 0.000) 5.560 43.000 ( -4.361 3.246 0.000) 5.437 43.000 ( 4.361 3.246 0.000) 5.437 43.398 ( -3.483 -0.336 0.000) 3.500 43.398 ( 3.483 -0.336 0.000) 3.500 49.694 ( -1.009 -2.642 0.000) 2.829 49.694 ( 1.009 -2.642 0.000) 2.829 50.125 ( -6.965 -4.576 0.000) 8.334 50.125 ( 6.965 -4.576 0.000) 8.334 50.269 ( -5.165 -4.204 0.000) 6.660 50.269 ( 5.165 -4.204 0.000) 6.660 50.523 ( -8.455 -3.463 0.000) 9.137 50.523 ( 8.455 -3.463 0.000) 9.137 65.903 ( -15.035 -3.547 0.000) 15.448 65.903 ( 15.035 -3.547 0.000) 15.448 67.063 ( -0.018 -15.123 0.000) 15.123 67.063 ( 0.018 -15.123 0.000) 15.123 88.380 ( -0.059 0.250 0.000) 0.257 88.380 ( 0.059 0.250 0.000) 0.257 88.565 ( -0.621 -1.333 0.000) 1.470 88.565 ( 0.621 -1.333 0.000) 1.470 88.722 ( -0.495 0.832 0.000) 0.968 88.722 ( 0.495 0.832 0.000) 0.968 88.928 ( -0.083 0.704 0.000) 0.709 88.928 ( 0.083 0.704 0.000) 0.709 89.206 ( -0.412 0.341 0.000) 0.535 89.206 ( 0.412 0.341 0.000) 0.535 89.243 ( -0.002 0.520 0.000) 0.520 89.243 ( 0.002 0.520 0.000) 0.520 91.279 ( -4.068 -4.458 0.000) 6.035 91.279 ( 4.068 -4.458 0.000) 6.035 91.793 ( -0.506 -5.923 0.000) 5.944 91.793 ( 0.506 -5.923 0.000) 5.944 ======================= Grid point 14 (9/112) ======================= q-point: ( 0.00 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.871 ( 0.000 22.543 0.000) 22.543 1.361 ( 0.000 29.795 0.000) 29.795 1.747 ( 0.000 33.817 0.000) 33.817 2.495 ( 0.000 4.416 0.000) 4.416 2.592 ( 0.000 -7.297 0.000) 7.297 2.639 ( 0.000 14.562 0.000) 14.562 2.812 ( 0.000 10.331 0.000) 10.331 2.852 ( 0.000 1.306 0.000) 1.306 2.929 ( 0.000 1.425 0.000) 1.425 3.148 ( 0.000 7.325 0.000) 7.325 3.187 ( 0.000 8.524 0.000) 8.524 3.369 ( 0.000 -5.153 0.000) 5.153 3.578 ( 0.000 -9.866 0.000) 9.866 3.661 ( 0.000 6.817 0.000) 6.817 3.758 ( 0.000 9.167 0.000) 9.167 3.879 ( 0.000 -5.852 0.000) 5.852 4.265 ( 0.000 -4.444 0.000) 4.444 5.290 ( 0.000 11.932 0.000) 11.932 5.508 ( 0.000 -9.291 0.000) 9.291 5.815 ( 0.000 1.957 0.000) 1.957 5.940 ( 0.000 1.588 0.000) 1.588 6.200 ( 0.000 -7.495 0.000) 7.495 6.411 ( 0.000 10.745 0.000) 10.745 6.524 ( 0.000 -5.616 0.000) 5.616 7.114 ( 0.000 -10.416 0.000) 10.416 7.162 ( 0.000 -0.120 0.000) 0.120 7.431 ( 0.000 -8.773 0.000) 8.773 7.451 ( 0.000 3.779 0.000) 3.779 7.911 ( 0.000 -7.002 0.000) 7.002 7.940 ( 0.000 0.026 0.000) 0.026 8.246 ( 0.000 -3.743 0.000) 3.743 8.905 ( 0.000 -8.375 0.000) 8.375 14.978 ( 0.000 -3.258 0.000) 3.258 15.153 ( 0.000 -5.545 0.000) 5.545 15.189 ( 0.000 -2.989 0.000) 2.989 15.586 ( 0.000 -6.453 0.000) 6.453 15.863 ( 0.000 0.709 0.000) 0.709 15.874 ( 0.000 -5.920 0.000) 5.920 16.027 ( 0.000 3.345 0.000) 3.345 16.032 ( 0.000 -2.901 0.000) 2.901 16.158 ( 0.000 -0.497 0.000) 0.497 16.255 ( 0.000 4.360 0.000) 4.360 16.262 ( 0.000 4.220 0.000) 4.220 16.398 ( 0.000 -6.885 0.000) 6.885 18.715 ( 0.000 0.517 0.000) 0.517 18.737 ( 0.000 0.145 0.000) 0.145 18.746 ( 0.000 0.586 0.000) 0.586 18.748 ( 0.000 0.534 0.000) 0.534 19.755 ( 0.000 -0.574 0.000) 0.574 19.792 ( 0.000 0.651 0.000) 0.651 20.154 ( 0.000 0.140 0.000) 0.140 20.260 ( 0.000 0.377 0.000) 0.377 41.602 ( 0.000 -0.599 0.000) 0.599 41.603 ( 0.000 -0.122 0.000) 0.122 41.770 ( 0.000 -0.145 0.000) 0.145 41.774 ( 0.000 0.126 0.000) 0.126 41.960 ( 0.000 6.471 0.000) 6.471 42.050 ( 0.000 9.417 0.000) 9.417 42.142 ( 0.000 1.264 0.000) 1.264 42.337 ( 0.000 8.195 0.000) 8.195 42.401 ( 0.000 4.519 0.000) 4.519 42.423 ( 0.000 8.209 0.000) 8.209 42.909 ( 0.000 4.037 0.000) 4.037 42.914 ( 0.000 2.128 0.000) 2.128 42.964 ( 0.000 0.744 0.000) 0.744 43.061 ( 0.000 3.139 0.000) 3.139 43.290 ( 0.000 5.832 0.000) 5.832 43.537 ( 0.000 2.678 0.000) 2.678 49.549 ( 0.000 -5.428 0.000) 5.428 49.640 ( 0.000 -6.627 0.000) 6.627 49.751 ( 0.000 -7.833 0.000) 7.833 49.936 ( 0.000 -9.117 0.000) 9.117 50.141 ( 0.000 -3.302 0.000) 3.302 50.202 ( 0.000 -11.154 0.000) 11.154 50.397 ( 0.000 -4.337 0.000) 4.337 50.721 ( 0.000 -5.888 0.000) 5.888 65.309 ( 0.000 -5.011 0.000) 5.011 65.386 ( 0.000 2.063 0.000) 2.063 66.699 ( 0.000 -20.335 0.000) 20.335 66.905 ( 0.000 -13.681 0.000) 13.681 88.432 ( 0.000 0.062 0.000) 0.062 88.500 ( 0.000 -0.004 0.000) 0.004 88.528 ( 0.000 -0.001 0.000) 0.001 88.530 ( 0.000 -0.389 0.000) 0.389 88.629 ( 0.000 0.166 0.000) 0.166 88.837 ( 0.000 -3.468 0.000) 3.468 88.965 ( 0.000 -0.531 0.000) 0.531 89.019 ( 0.000 -0.381 0.000) 0.381 89.044 ( 0.000 -0.024 0.000) 0.024 89.068 ( 0.000 -0.421 0.000) 0.421 89.092 ( 0.000 -1.691 0.000) 1.691 89.118 ( 0.000 1.294 0.000) 1.294 90.899 ( 0.000 -11.023 0.000) 11.023 91.508 ( 0.000 -6.004 0.000) 6.004 91.630 ( 0.000 2.142 0.000) 2.142 91.797 ( 0.000 -9.716 0.000) 9.716 ======================= Grid point 15 (10/112) ======================= q-point: ( 0.17 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.292 ( 31.247 15.081 0.000) 34.696 1.443 ( 8.516 27.112 0.000) 28.418 1.798 ( 9.297 28.785 0.000) 30.249 2.303 ( -14.178 10.675 0.000) 17.747 2.658 ( -11.048 4.687 0.000) 12.002 2.693 ( 2.038 5.248 0.000) 5.629 2.736 ( 7.924 2.214 0.000) 8.227 2.917 ( 0.914 2.261 0.000) 2.439 2.987 ( 9.543 4.272 0.000) 10.455 3.019 ( -3.708 3.932 0.000) 5.405 3.314 ( 6.045 8.088 0.000) 10.098 3.399 ( 3.104 -4.744 0.000) 5.669 3.589 ( 1.765 -2.385 0.000) 2.967 3.745 ( 2.744 8.720 0.000) 9.142 3.803 ( 7.859 1.562 0.000) 8.013 3.903 ( 1.928 -5.564 0.000) 5.889 4.180 ( -8.594 -3.943 0.000) 9.456 5.129 ( -16.781 12.099 0.000) 20.688 5.498 ( 0.141 -7.639 0.000) 7.640 5.760 ( -3.744 0.131 0.000) 3.746 6.034 ( 7.696 4.695 0.000) 9.015 6.265 ( 5.227 -6.235 0.000) 8.136 6.369 ( -2.325 9.203 0.000) 9.493 6.689 ( 13.788 -7.690 0.000) 15.787 7.037 ( -4.954 -7.671 0.000) 9.131 7.082 ( -8.740 -7.595 0.000) 11.579 7.408 ( -4.668 5.197 0.000) 6.986 7.487 ( 2.150 -2.132 0.000) 3.028 7.917 ( 1.831 -9.918 0.000) 10.086 7.940 ( 0.453 -1.144 0.000) 1.230 8.264 ( 1.835 -2.746 0.000) 3.303 8.803 ( -9.093 -6.983 0.000) 11.465 15.008 ( 3.041 -4.007 0.000) 5.030 15.162 ( 1.015 -4.893 0.000) 4.997 15.182 ( -0.708 -3.409 0.000) 3.482 15.542 ( -4.502 -6.087 0.000) 7.571 15.873 ( 1.104 0.835 0.000) 1.384 15.897 ( 2.324 -5.712 0.000) 6.167 16.004 ( -1.455 1.064 0.000) 1.803 16.057 ( 1.722 -0.718 0.000) 1.865 16.145 ( -1.459 -0.987 0.000) 1.761 16.247 ( -1.008 3.693 0.000) 3.828 16.272 ( 0.995 4.114 0.000) 4.233 16.383 ( -1.461 -5.605 0.000) 5.792 18.717 ( 0.118 0.525 0.000) 0.538 18.730 ( -0.529 0.391 0.000) 0.658 18.744 ( -0.194 0.582 0.000) 0.613 18.746 ( -0.206 0.671 0.000) 0.702 19.763 ( 0.630 -0.921 0.000) 1.116 19.790 ( -0.162 0.458 0.000) 0.486 20.160 ( 0.604 0.204 0.000) 0.638 20.248 ( -1.073 0.633 0.000) 1.246 41.584 ( -1.510 -0.082 0.000) 1.512 41.593 ( -0.887 -0.629 0.000) 1.087 41.762 ( -0.687 0.049 0.000) 0.689 41.767 ( -0.618 0.197 0.000) 0.649 41.981 ( 1.976 6.617 0.000) 6.906 42.107 ( 5.895 8.869 0.000) 10.649 42.167 ( 2.463 1.792 0.000) 3.046 42.259 ( -5.136 9.331 0.000) 10.651 42.407 ( -1.670 7.801 0.000) 7.978 42.460 ( 4.034 4.137 0.000) 5.778 42.848 ( -5.403 2.480 0.000) 5.945 42.934 ( -3.097 0.991 0.000) 3.251 42.938 ( 2.351 4.256 0.000) 4.862 43.161 ( 7.865 0.554 0.000) 7.885 43.259 ( -3.085 5.729 0.000) 6.506 43.521 ( -1.734 2.411 0.000) 2.970 49.558 ( 0.920 -5.685 0.000) 5.759 49.635 ( -0.478 -6.653 0.000) 6.670 49.783 ( 3.306 -8.016 0.000) 8.671 49.964 ( 3.000 -8.569 0.000) 9.079 50.173 ( -3.012 -10.905 0.000) 11.314 50.180 ( 4.110 -3.599 0.000) 5.464 50.364 ( -3.380 -4.458 0.000) 5.595 50.681 ( -4.095 -5.787 0.000) 7.089 65.446 ( 6.250 1.261 0.000) 6.376 65.559 ( 20.043 -14.692 0.000) 24.851 66.701 ( 0.119 -20.597 0.000) 20.598 66.832 ( -6.781 -13.401 0.000) 15.019 88.417 ( -1.394 0.069 0.000) 1.395 88.478 ( -3.497 -0.391 0.000) 3.519 88.530 ( -0.760 0.165 0.000) 0.778 88.559 ( 4.173 -1.162 0.000) 4.332 88.650 ( 1.798 -0.371 0.000) 1.836 88.836 ( -0.667 -2.402 0.000) 2.493 88.922 ( -5.118 0.371 0.000) 5.131 88.948 ( -1.006 -0.493 0.000) 1.120 89.046 ( 2.220 -1.466 0.000) 2.661 89.100 ( 3.323 -0.076 0.000) 3.324 89.176 ( 4.677 1.577 0.000) 4.936 89.189 ( 5.021 -0.250 0.000) 5.027 90.938 ( 3.546 -11.112 0.000) 11.665 91.457 ( -5.463 -6.423 0.000) 8.432 91.619 ( -0.732 0.516 0.000) 0.895 91.767 ( -2.842 -9.601 0.000) 10.013 ======================= Grid point 16 (11/112) ======================= q-point: ( 0.33 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.629 ( 8.445 23.828 0.000) 25.280 1.664 ( 14.380 21.809 0.000) 26.123 2.036 ( -13.396 14.225 0.000) 19.540 2.271 ( 33.303 6.060 0.000) 33.850 2.341 ( -18.756 10.592 0.000) 21.540 2.730 ( 2.342 3.051 0.000) 3.846 2.835 ( -1.062 3.452 0.000) 3.611 2.894 ( -3.386 1.446 0.000) 3.682 3.093 ( 10.374 1.301 0.000) 10.456 3.182 ( 9.236 4.984 0.000) 10.495 3.429 ( 5.380 5.941 0.000) 8.015 3.479 ( 5.066 -3.357 0.000) 6.077 3.639 ( 2.093 -3.379 0.000) 3.975 3.791 ( 7.336 13.969 0.000) 15.778 3.850 ( -12.490 -2.697 0.000) 12.778 3.970 ( 7.408 -1.291 0.000) 7.520 4.038 ( -1.426 -4.543 0.000) 4.762 4.694 ( -27.944 13.529 0.000) 31.047 5.539 ( 4.021 -6.006 0.000) 7.228 5.698 ( -3.106 -2.256 0.000) 3.839 6.180 ( 6.957 8.598 0.000) 11.060 6.326 ( -1.722 8.230 0.000) 8.408 6.389 ( 7.719 -3.898 0.000) 8.647 6.848 ( -14.296 -8.261 0.000) 16.511 6.949 ( 12.062 -9.933 0.000) 15.626 6.997 ( 0.309 -8.699 0.000) 8.704 7.289 ( -6.614 6.539 0.000) 9.301 7.436 ( -6.923 1.772 0.000) 7.146 7.969 ( 2.424 -4.344 0.000) 4.974 7.985 ( 3.728 -11.593 0.000) 12.177 8.322 ( 4.836 -1.993 0.000) 5.231 8.622 ( -9.523 -6.145 0.000) 11.333 15.078 ( 3.851 -6.012 0.000) 7.140 15.163 ( -1.257 -4.563 0.000) 4.733 15.199 ( 3.326 -3.124 0.000) 4.563 15.430 ( -6.982 -4.961 0.000) 8.564 15.901 ( 1.785 1.041 0.000) 2.066 15.957 ( 3.753 -4.725 0.000) 6.034 15.974 ( -1.648 0.801 0.000) 1.833 16.097 ( 2.603 -0.854 0.000) 2.740 16.103 ( -2.976 -2.278 0.000) 3.748 16.212 ( -2.696 1.358 0.000) 3.019 16.296 ( 1.450 3.571 0.000) 3.854 16.352 ( -1.605 -1.704 0.000) 2.341 18.719 ( 0.147 0.545 0.000) 0.564 18.723 ( -0.205 0.577 0.000) 0.613 18.740 ( -0.206 0.584 0.000) 0.619 18.741 ( -0.234 0.673 0.000) 0.712 19.774 ( 0.468 -0.984 0.000) 1.089 19.786 ( -0.263 -0.026 0.000) 0.265 20.176 ( 1.085 0.373 0.000) 1.148 20.225 ( -1.362 0.736 0.000) 1.549 41.562 ( -0.699 -0.478 0.000) 0.847 41.574 ( -1.041 -0.722 0.000) 1.266 41.751 ( -0.423 0.192 0.000) 0.464 41.755 ( -0.571 0.232 0.000) 0.616 42.029 ( 3.110 7.288 0.000) 7.924 42.170 ( -4.283 9.218 0.000) 10.165 42.226 ( 3.582 3.124 0.000) 4.753 42.256 ( 9.487 7.546 0.000) 12.122 42.362 ( -2.913 6.674 0.000) 7.282 42.528 ( 1.742 4.523 0.000) 4.847 42.734 ( -5.004 2.738 0.000) 5.705 42.852 ( -5.404 1.609 0.000) 5.639 43.000 ( 4.094 4.551 0.000) 6.122 43.182 ( -4.838 5.377 0.000) 7.233 43.298 ( 6.334 -0.094 0.000) 6.335 43.474 ( -3.244 1.723 0.000) 3.673 49.580 ( 1.271 -6.219 0.000) 6.347 49.623 ( -0.879 -6.694 0.000) 6.752 49.868 ( 5.589 -8.551 0.000) 10.215 50.045 ( 5.425 -7.284 0.000) 9.082 50.094 ( -5.294 -10.237 0.000) 11.525 50.277 ( -5.711 -4.981 0.000) 7.578 50.288 ( 7.037 -4.308 0.000) 8.251 50.576 ( -6.906 -5.553 0.000) 8.861 65.607 ( 10.338 -1.312 0.000) 10.421 65.836 ( 6.357 -15.495 0.000) 16.748 66.698 ( -0.579 -21.138 0.000) 21.146 66.710 ( -4.534 -16.063 0.000) 16.690 88.391 ( -1.061 0.168 0.000) 1.075 88.416 ( -2.665 0.038 0.000) 2.665 88.518 ( -0.157 -0.796 0.000) 0.811 88.579 ( -1.964 -1.617 0.000) 2.544 88.688 ( 2.236 -0.354 0.000) 2.264 88.786 ( -3.215 -0.076 0.000) 3.216 88.914 ( 1.976 0.287 0.000) 1.997 88.939 ( 0.015 -0.233 0.000) 0.233 89.121 ( 5.463 -1.954 0.000) 5.802 89.173 ( 3.678 0.337 0.000) 3.694 89.250 ( 2.492 1.798 0.000) 3.073 89.256 ( 1.913 0.735 0.000) 2.050 91.018 ( 5.086 -10.110 0.000) 11.317 91.313 ( -9.215 -7.707 0.000) 12.014 91.619 ( 0.945 -3.433 0.000) 3.561 91.707 ( -3.222 -8.763 0.000) 9.337 ======================= Grid point 17 (12/112) ======================= q-point: (-0.50 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 104 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.789 ( -2.556 22.376 0.000) 22.522 1.789 ( 2.556 22.376 0.000) 22.522 1.995 ( -15.915 12.859 0.000) 20.461 1.995 ( 15.915 12.859 0.000) 20.461 2.741 ( -6.679 0.970 0.000) 6.749 2.741 ( 6.679 0.970 0.000) 6.749 2.789 ( -0.161 2.344 0.000) 2.350 2.789 ( 0.161 2.344 0.000) 2.350 3.267 ( -0.461 1.880 0.000) 1.936 3.267 ( 0.461 1.880 0.000) 1.936 3.526 ( -5.932 3.537 0.000) 6.906 3.526 ( 5.932 3.537 0.000) 6.906 3.613 ( -0.001 -0.733 0.000) 0.733 3.613 ( 0.001 -0.733 0.000) 0.733 4.035 ( -1.951 -6.500 0.000) 6.787 4.035 ( 1.951 -6.500 0.000) 6.787 4.160 ( -12.939 16.193 0.000) 20.727 4.160 ( 12.939 16.193 0.000) 20.727 5.627 ( -0.911 -4.366 0.000) 4.460 5.627 ( 0.911 -4.366 0.000) 4.460 6.278 ( -3.011 9.932 0.000) 10.378 6.278 ( 3.011 9.932 0.000) 10.378 6.584 ( -10.096 -6.377 0.000) 11.942 6.584 ( 10.096 -6.377 0.000) 11.942 7.043 ( -0.169 -9.615 0.000) 9.617 7.043 ( 0.169 -9.615 0.000) 9.617 7.282 ( -2.205 4.309 0.000) 4.840 7.282 ( 2.205 4.309 0.000) 4.840 8.009 ( -0.113 -8.118 0.000) 8.118 8.009 ( 0.113 -8.118 0.000) 8.118 8.451 ( -2.673 -4.342 0.000) 5.099 8.451 ( 2.673 -4.342 0.000) 5.099 15.133 ( -0.269 -6.088 0.000) 6.094 15.133 ( 0.269 -6.088 0.000) 6.094 15.296 ( -2.959 -3.303 0.000) 4.435 15.296 ( 2.959 -3.303 0.000) 4.435 15.937 ( -1.799 1.175 0.000) 2.148 15.937 ( 1.799 1.175 0.000) 2.148 16.035 ( -1.805 -3.882 0.000) 4.281 16.035 ( 1.805 -3.882 0.000) 4.281 16.153 ( -2.539 -0.461 0.000) 2.581 16.153 ( 2.539 -0.461 0.000) 2.581 16.324 ( -0.340 1.907 0.000) 1.937 16.324 ( 0.340 1.907 0.000) 1.937 18.721 ( -0.013 0.567 0.000) 0.567 18.721 ( 0.013 0.567 0.000) 0.567 18.738 ( -0.024 0.623 0.000) 0.623 18.738 ( 0.024 0.623 0.000) 0.623 19.781 ( -0.249 -0.587 0.000) 0.637 19.781 ( 0.249 -0.587 0.000) 0.637 20.199 ( -1.139 0.584 0.000) 1.280 20.199 ( 1.139 0.584 0.000) 1.280 41.559 ( -0.149 -0.745 0.000) 0.760 41.559 ( 0.149 -0.745 0.000) 0.760 41.748 ( -0.006 0.227 0.000) 0.227 41.748 ( 0.006 0.227 0.000) 0.227 42.094 ( -3.437 8.239 0.000) 8.927 42.094 ( 3.437 8.239 0.000) 8.927 42.296 ( -2.895 4.946 0.000) 5.731 42.296 ( 2.895 4.946 0.000) 5.731 42.444 ( -8.164 6.132 0.000) 10.211 42.444 ( 8.164 6.132 0.000) 10.211 42.747 ( -5.045 2.190 0.000) 5.500 42.747 ( 5.045 2.190 0.000) 5.500 43.087 ( -4.946 4.910 0.000) 6.969 43.087 ( 4.946 4.910 0.000) 6.969 43.400 ( -4.591 0.787 0.000) 4.658 43.400 ( 4.591 0.787 0.000) 4.658 49.603 ( -0.393 -6.598 0.000) 6.610 49.603 ( 0.393 -6.598 0.000) 6.610 49.982 ( -5.700 -9.359 0.000) 10.958 49.982 ( 5.700 -9.359 0.000) 10.958 50.160 ( -6.257 -5.954 0.000) 8.637 50.160 ( 6.257 -5.954 0.000) 8.637 50.432 ( -7.856 -5.050 0.000) 9.339 50.432 ( 7.856 -5.050 0.000) 9.339 65.797 ( -8.227 -6.682 0.000) 10.599 65.797 ( 8.227 -6.682 0.000) 10.599 66.682 ( -0.020 -20.522 0.000) 20.522 66.682 ( 0.020 -20.522 0.000) 20.522 88.385 ( -0.037 0.222 0.000) 0.225 88.385 ( 0.037 0.222 0.000) 0.225 88.534 ( -0.369 -1.426 0.000) 1.473 88.534 ( 0.369 -1.426 0.000) 1.473 88.733 ( -0.688 -0.002 0.000) 0.688 88.733 ( 0.688 -0.002 0.000) 0.688 88.938 ( -0.065 0.128 0.000) 0.144 88.938 ( 0.065 0.128 0.000) 0.144 89.204 ( -1.142 -0.366 0.000) 1.200 89.204 ( 1.142 -0.366 0.000) 1.200 89.267 ( -0.000 1.437 0.000) 1.437 89.267 ( 0.000 1.437 0.000) 1.437 91.142 ( -1.864 -9.026 0.000) 9.216 91.142 ( 1.864 -9.026 0.000) 9.216 91.652 ( -0.098 -6.819 0.000) 6.820 91.652 ( 0.098 -6.819 0.000) 6.820 ======================= Grid point 21 (13/112) ======================= q-point: ( 0.00 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.343 ( 0.000 23.537 0.000) 23.537 1.901 ( 0.000 22.220 0.000) 22.220 2.272 ( 0.000 18.278 0.000) 18.278 2.456 ( 0.000 -5.460 0.000) 5.460 2.583 ( 0.000 3.696 0.000) 3.696 2.859 ( 0.000 -0.347 0.000) 0.347 2.909 ( 0.000 4.154 0.000) 4.154 2.983 ( 0.000 11.080 0.000) 11.080 2.988 ( 0.000 3.371 0.000) 3.371 3.294 ( 0.000 -1.533 0.000) 1.533 3.358 ( 0.000 -0.899 0.000) 0.899 3.393 ( 0.000 10.480 0.000) 10.480 3.478 ( 0.000 16.379 0.000) 16.379 3.750 ( 0.000 -6.479 0.000) 6.479 3.764 ( 0.000 3.436 0.000) 3.436 3.939 ( 0.000 7.699 0.000) 7.699 4.206 ( 0.000 -1.090 0.000) 1.090 5.312 ( 0.000 -9.238 0.000) 9.238 5.551 ( 0.000 12.527 0.000) 12.527 5.836 ( 0.000 0.100 0.000) 0.100 5.959 ( 0.000 -0.004 0.000) 0.004 6.020 ( 0.000 -9.582 0.000) 9.582 6.444 ( 0.000 -2.068 0.000) 2.068 6.633 ( 0.000 10.686 0.000) 10.686 6.869 ( 0.000 -13.355 0.000) 13.355 7.125 ( 0.000 -3.438 0.000) 3.438 7.197 ( 0.000 -13.132 0.000) 13.132 7.502 ( 0.000 0.999 0.000) 0.999 7.790 ( 0.000 -4.831 0.000) 4.831 7.947 ( 0.000 0.666 0.000) 0.666 8.189 ( 0.000 -1.557 0.000) 1.557 8.694 ( 0.000 -12.275 0.000) 12.275 14.862 ( 0.000 -7.908 0.000) 7.908 15.066 ( 0.000 -2.734 0.000) 2.734 15.120 ( 0.000 -3.585 0.000) 3.585 15.440 ( 0.000 -7.521 0.000) 7.521 15.749 ( 0.000 -6.184 0.000) 6.184 15.902 ( 0.000 3.132 0.000) 3.132 15.956 ( 0.000 -4.344 0.000) 4.344 16.087 ( 0.000 2.419 0.000) 2.419 16.145 ( 0.000 -0.980 0.000) 0.980 16.245 ( 0.000 -7.583 0.000) 7.583 16.335 ( 0.000 3.237 0.000) 3.237 16.379 ( 0.000 7.024 0.000) 7.024 18.725 ( 0.000 0.394 0.000) 0.394 18.736 ( 0.000 -0.116 0.000) 0.116 18.758 ( 0.000 0.563 0.000) 0.563 18.763 ( 0.000 0.850 0.000) 0.850 19.742 ( 0.000 -0.677 0.000) 0.677 19.808 ( 0.000 0.933 0.000) 0.933 20.157 ( 0.000 0.144 0.000) 0.144 20.268 ( 0.000 0.383 0.000) 0.383 41.593 ( 0.000 -0.274 0.000) 0.274 41.601 ( 0.000 -0.090 0.000) 0.090 41.769 ( 0.000 0.037 0.000) 0.037 41.776 ( 0.000 0.045 0.000) 0.045 42.113 ( 0.000 8.190 0.000) 8.190 42.171 ( 0.000 1.510 0.000) 1.510 42.275 ( 0.000 12.308 0.000) 12.308 42.504 ( 0.000 5.392 0.000) 5.392 42.530 ( 0.000 10.455 0.000) 10.455 42.610 ( 0.000 9.719 0.000) 9.719 42.966 ( 0.000 2.867 0.000) 2.867 42.991 ( 0.000 1.801 0.000) 1.801 43.000 ( 0.000 4.595 0.000) 4.595 43.135 ( 0.000 4.000 0.000) 4.000 43.375 ( 0.000 2.230 0.000) 2.230 43.637 ( 0.000 7.019 0.000) 7.019 49.366 ( 0.000 -12.625 0.000) 12.625 49.469 ( 0.000 -9.925 0.000) 9.925 49.549 ( 0.000 -11.592 0.000) 11.592 49.779 ( 0.000 -5.494 0.000) 5.494 49.932 ( 0.000 -14.891 0.000) 14.891 50.079 ( 0.000 -2.675 0.000) 2.675 50.311 ( 0.000 -3.877 0.000) 3.877 50.592 ( 0.000 -6.577 0.000) 6.577 65.194 ( 0.000 -6.008 0.000) 6.008 65.432 ( 0.000 2.344 0.000) 2.344 66.239 ( 0.000 -23.778 0.000) 23.778 66.599 ( 0.000 -15.610 0.000) 15.610 88.436 ( 0.000 0.338 0.000) 0.338 88.497 ( 0.000 -0.270 0.000) 0.270 88.523 ( 0.000 -0.226 0.000) 0.226 88.528 ( 0.000 0.039 0.000) 0.039 88.628 ( 0.000 -0.292 0.000) 0.292 88.765 ( 0.000 -3.496 0.000) 3.496 88.950 ( 0.000 -0.955 0.000) 0.955 89.012 ( 0.000 -0.262 0.000) 0.262 89.043 ( 0.000 -0.155 0.000) 0.155 89.049 ( 0.000 -1.456 0.000) 1.456 89.056 ( 0.000 -1.771 0.000) 1.771 89.131 ( 0.000 -0.226 0.000) 0.226 90.626 ( 0.000 -15.235 0.000) 15.235 91.380 ( 0.000 -6.230 0.000) 6.230 91.604 ( 0.000 -8.539 0.000) 8.539 91.679 ( 0.000 2.500 0.000) 2.500 ======================= Grid point 22 (14/112) ======================= q-point: ( 0.17 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.621 ( 24.567 17.472 0.000) 30.146 1.944 ( 4.593 20.805 0.000) 21.306 2.273 ( 2.154 17.504 0.000) 17.636 2.511 ( -6.837 8.842 0.000) 11.177 2.591 ( 9.503 -4.128 0.000) 10.361 2.776 ( -3.266 2.864 0.000) 4.343 2.949 ( -2.139 6.657 0.000) 6.992 2.975 ( 0.309 3.210 0.000) 3.225 3.068 ( 9.370 3.446 0.000) 9.983 3.142 ( -10.541 8.368 0.000) 13.459 3.335 ( 4.306 -0.352 0.000) 4.321 3.445 ( -1.352 3.175 0.000) 3.451 3.561 ( 6.013 5.474 0.000) 8.132 3.781 ( 2.572 -5.996 0.000) 6.525 3.877 ( 7.486 5.916 0.000) 9.542 3.956 ( 4.022 9.426 0.000) 10.248 4.135 ( -7.212 -0.274 0.000) 7.217 5.330 ( 2.317 -7.965 0.000) 8.296 5.387 ( -16.142 11.754 0.000) 19.968 5.757 ( -5.731 0.097 0.000) 5.732 6.101 ( 7.315 -9.418 0.000) 11.925 6.106 ( 11.675 1.694 0.000) 11.797 6.454 ( 0.870 -1.151 0.000) 1.443 6.676 ( 4.798 7.021 0.000) 8.504 6.818 ( -4.739 -13.036 0.000) 13.871 6.921 ( -11.551 -7.953 0.000) 14.024 7.399 ( 10.035 -6.926 0.000) 12.193 7.485 ( -2.211 2.033 0.000) 3.004 7.743 ( -3.592 -6.166 0.000) 7.136 7.919 ( -2.681 -0.863 0.000) 2.816 8.219 ( 2.794 -1.477 0.000) 3.160 8.620 ( -6.860 -10.756 0.000) 12.757 14.881 ( 2.022 -7.978 0.000) 8.231 15.085 ( 1.958 -2.635 0.000) 3.283 15.104 ( -1.659 -4.040 0.000) 4.367 15.406 ( -3.475 -6.944 0.000) 7.765 15.775 ( 2.710 -6.020 0.000) 6.602 15.915 ( 1.361 3.246 0.000) 3.520 15.966 ( 0.996 -3.834 0.000) 3.961 16.080 ( -0.713 2.087 0.000) 2.205 16.119 ( -2.729 -1.647 0.000) 3.187 16.213 ( -2.866 -6.407 0.000) 7.019 16.356 ( 1.675 2.615 0.000) 3.105 16.384 ( 0.486 6.554 0.000) 6.572 18.726 ( 0.127 0.395 0.000) 0.414 18.734 ( -0.201 0.029 0.000) 0.203 18.756 ( -0.180 0.580 0.000) 0.607 18.761 ( -0.193 0.841 0.000) 0.863 19.747 ( 0.460 -0.678 0.000) 0.819 19.803 ( -0.535 0.782 0.000) 0.947 20.164 ( 0.726 0.192 0.000) 0.751 20.259 ( -0.878 0.442 0.000) 0.983 41.584 ( -0.889 -0.247 0.000) 0.922 41.584 ( -1.439 0.095 0.000) 1.442 41.764 ( -0.429 0.168 0.000) 0.461 41.771 ( -0.492 0.137 0.000) 0.511 42.136 ( 2.342 8.315 0.000) 8.639 42.208 ( 3.707 2.113 0.000) 4.267 42.320 ( 4.670 11.691 0.000) 12.590 42.459 ( -3.962 9.848 0.000) 10.615 42.563 ( 3.043 5.992 0.000) 6.721 42.585 ( -2.556 9.330 0.000) 9.674 42.911 ( -4.761 3.591 0.000) 5.964 42.965 ( -2.693 1.931 0.000) 3.314 43.031 ( 2.627 4.521 0.000) 5.229 43.200 ( 5.894 2.984 0.000) 6.607 43.347 ( -2.844 2.503 0.000) 3.789 43.611 ( -2.698 6.439 0.000) 6.981 49.373 ( 0.756 -12.467 0.000) 12.490 49.462 ( -0.699 -10.110 0.000) 10.134 49.577 ( 2.951 -11.722 0.000) 12.088 49.816 ( 3.825 -5.339 0.000) 6.567 49.908 ( -2.438 -14.600 0.000) 14.802 50.112 ( 3.383 -3.058 0.000) 4.561 50.276 ( -3.618 -3.934 0.000) 5.345 50.555 ( -3.799 -6.387 0.000) 7.431 65.317 ( 11.343 -9.910 0.000) 15.062 65.472 ( 4.109 1.200 0.000) 4.281 66.240 ( 0.106 -23.534 0.000) 23.534 66.538 ( -6.127 -14.906 0.000) 16.116 88.420 ( -1.492 0.191 0.000) 1.505 88.467 ( -3.386 -0.589 0.000) 3.437 88.538 ( 2.885 -1.071 0.000) 3.078 88.539 ( -0.992 0.621 0.000) 1.171 88.638 ( 1.381 -0.674 0.000) 1.537 88.776 ( 0.588 -3.200 0.000) 3.253 88.931 ( -3.648 0.528 0.000) 3.686 88.934 ( -0.847 -0.825 0.000) 1.182 89.025 ( 1.267 -0.659 0.000) 1.428 89.086 ( 3.691 -1.362 0.000) 3.935 89.175 ( 5.841 -1.146 0.000) 5.953 89.193 ( 5.052 -0.233 0.000) 5.057 90.663 ( 3.735 -15.262 0.000) 15.712 91.317 ( -6.807 -6.927 0.000) 9.712 91.580 ( -2.019 -8.031 0.000) 8.281 91.646 ( -3.105 1.881 0.000) 3.630 ======================= Grid point 23 (15/112) ======================= q-point: ( 0.33 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.018 ( 12.611 14.622 0.000) 19.310 2.066 ( 7.823 15.662 0.000) 17.507 2.368 ( -7.059 18.620 0.000) 19.913 2.440 ( 16.206 9.637 0.000) 18.855 2.568 ( -9.541 9.808 0.000) 13.683 2.767 ( 2.061 0.023 0.000) 2.061 2.939 ( -4.227 3.367 0.000) 5.404 2.949 ( -4.958 8.205 0.000) 9.587 3.132 ( 12.641 1.818 0.000) 12.771 3.240 ( 7.395 -0.040 0.000) 7.395 3.443 ( 6.664 0.874 0.000) 6.721 3.448 ( 2.933 -4.903 0.000) 5.713 3.625 ( 0.591 4.382 0.000) 4.422 3.785 ( -5.062 -4.592 0.000) 6.835 3.915 ( 0.510 1.849 0.000) 1.918 3.985 ( -5.724 0.451 0.000) 5.742 4.161 ( 14.371 14.724 0.000) 20.575 4.985 ( -25.337 13.530 0.000) 28.724 5.409 ( 5.916 -5.940 0.000) 8.384 5.650 ( -5.710 -2.079 0.000) 6.077 6.252 ( 8.475 -7.560 0.000) 11.357 6.329 ( 10.493 5.101 0.000) 11.667 6.467 ( 0.367 2.001 0.000) 2.035 6.659 ( -12.166 -10.386 0.000) 15.996 6.790 ( -1.068 -9.973 0.000) 10.030 6.794 ( 6.092 -2.348 0.000) 6.529 7.408 ( -5.204 4.548 0.000) 6.911 7.460 ( -3.828 0.186 0.000) 3.833 7.742 ( 4.076 -11.425 0.000) 12.130 7.867 ( -2.437 -5.671 0.000) 6.173 8.282 ( 3.884 -1.832 0.000) 4.294 8.482 ( -7.011 -7.504 0.000) 10.270 14.933 ( 3.304 -7.818 0.000) 8.488 15.060 ( -2.902 -5.287 0.000) 6.031 15.139 ( 3.730 -2.756 0.000) 4.638 15.321 ( -5.194 -5.477 0.000) 7.548 15.847 ( 4.774 -5.497 0.000) 7.280 15.948 ( 1.909 3.416 0.000) 3.913 15.987 ( 0.881 -1.172 0.000) 1.467 16.047 ( -4.758 -3.135 0.000) 5.698 16.068 ( -0.137 -0.300 0.000) 0.330 16.151 ( -3.477 -5.475 0.000) 6.486 16.384 ( 1.181 3.095 0.000) 3.313 16.394 ( 0.468 5.444 0.000) 5.464 18.729 ( 0.135 0.374 0.000) 0.398 18.731 ( -0.087 0.225 0.000) 0.241 18.753 ( -0.147 0.645 0.000) 0.661 18.757 ( -0.280 0.808 0.000) 0.855 19.758 ( 0.726 -0.512 0.000) 0.889 19.790 ( -0.840 0.387 0.000) 0.925 20.183 ( 1.269 0.307 0.000) 1.306 20.237 ( -1.387 0.487 0.000) 1.470 41.559 ( -1.004 0.156 0.000) 1.016 41.564 ( -1.017 -0.169 0.000) 1.031 41.756 ( -0.307 0.338 0.000) 0.457 41.761 ( -0.497 0.283 0.000) 0.572 42.196 ( 3.923 8.794 0.000) 9.630 42.297 ( 5.237 3.781 0.000) 6.460 42.375 ( -4.404 10.535 0.000) 11.418 42.439 ( 7.430 10.034 0.000) 12.486 42.518 ( -4.355 8.257 0.000) 9.335 42.631 ( 3.291 5.334 0.000) 6.268 42.805 ( -5.535 4.219 0.000) 6.959 42.893 ( -4.819 2.247 0.000) 5.317 43.095 ( 4.125 4.368 0.000) 6.008 43.274 ( -4.660 3.168 0.000) 5.635 43.323 ( 6.644 2.512 0.000) 7.103 43.541 ( -4.632 4.998 0.000) 6.814 49.393 ( 1.257 -11.996 0.000) 12.062 49.444 ( -1.215 -10.619 0.000) 10.688 49.653 ( 4.873 -12.162 0.000) 13.102 49.843 ( -4.353 -13.846 0.000) 14.514 49.915 ( 6.520 -4.955 0.000) 8.189 50.180 ( -6.302 -4.142 0.000) 7.542 50.202 ( 5.988 -4.005 0.000) 7.204 50.457 ( -6.347 -5.883 0.000) 8.654 65.535 ( 9.747 -13.623 0.000) 16.750 65.569 ( 5.438 -2.591 0.000) 6.024 66.244 ( 0.521 -22.109 0.000) 22.115 66.396 ( -7.914 -14.538 0.000) 16.552 88.392 ( -1.138 -0.088 0.000) 1.141 88.411 ( -2.337 -0.573 0.000) 2.406 88.513 ( -1.013 0.367 0.000) 1.077 88.550 ( -1.555 -1.181 0.000) 1.953 88.674 ( 2.244 -0.912 0.000) 2.422 88.760 ( -1.946 -2.194 0.000) 2.933 88.925 ( 1.292 0.782 0.000) 1.510 88.930 ( 0.318 -0.555 0.000) 0.639 89.092 ( 5.985 -1.086 0.000) 6.082 89.164 ( 3.715 -1.351 0.000) 3.953 89.257 ( 2.774 -0.672 0.000) 2.854 89.273 ( 2.633 -0.008 0.000) 2.633 90.761 ( 6.680 -14.329 0.000) 15.810 91.136 ( -11.576 -9.106 0.000) 14.728 91.547 ( -1.130 -6.259 0.000) 6.360 91.583 ( -3.061 -0.320 0.000) 3.078 ======================= Grid point 24 (16/112) ======================= q-point: (-0.50 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 104 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.147 ( -1.431 11.353 0.000) 11.443 2.147 ( 1.431 11.353 0.000) 11.443 2.350 ( -5.414 21.658 0.000) 22.325 2.350 ( 5.414 21.658 0.000) 22.325 2.771 ( -11.390 1.648 0.000) 11.508 2.771 ( 11.390 1.648 0.000) 11.508 2.852 ( -1.476 4.017 0.000) 4.280 2.852 ( 1.476 4.017 0.000) 4.280 3.296 ( -0.356 1.173 0.000) 1.225 3.296 ( 0.356 1.173 0.000) 1.225 3.549 ( -0.006 -2.939 0.000) 2.939 3.549 ( 0.006 -2.939 0.000) 2.939 3.613 ( -2.585 1.680 0.000) 3.083 3.613 ( 2.585 1.680 0.000) 3.083 3.939 ( -0.897 -1.671 0.000) 1.896 3.939 ( 0.897 -1.671 0.000) 1.896 4.507 ( -15.147 16.197 0.000) 22.176 4.507 ( 15.147 16.197 0.000) 22.176 5.534 ( -1.905 -4.220 0.000) 4.630 5.534 ( 1.905 -4.220 0.000) 4.630 6.427 ( -7.690 -3.394 0.000) 8.405 6.427 ( 7.690 -3.394 0.000) 8.405 6.458 ( -0.001 1.110 0.000) 1.110 6.458 ( 0.001 1.110 0.000) 1.110 6.829 ( -0.212 -9.282 0.000) 9.284 6.829 ( 0.212 -9.282 0.000) 9.284 7.370 ( -0.396 3.944 0.000) 3.964 7.370 ( 0.396 3.944 0.000) 3.964 7.820 ( -1.388 -10.148 0.000) 10.242 7.820 ( 1.388 -10.148 0.000) 10.242 8.367 ( -1.411 -3.983 0.000) 4.226 8.367 ( 1.411 -3.983 0.000) 4.226 14.999 ( -0.723 -6.831 0.000) 6.869 14.999 ( 0.723 -6.831 0.000) 6.869 15.222 ( -1.565 -3.780 0.000) 4.091 15.222 ( 1.565 -3.780 0.000) 4.091 15.946 ( -2.947 -4.360 0.000) 5.262 15.946 ( 2.947 -4.360 0.000) 5.262 15.983 ( -0.377 2.717 0.000) 2.743 15.983 ( 0.377 2.717 0.000) 2.743 16.092 ( -0.629 -4.400 0.000) 4.445 16.092 ( 0.629 -4.400 0.000) 4.445 16.397 ( -0.009 4.183 0.000) 4.183 16.397 ( 0.009 4.183 0.000) 4.183 18.730 ( -0.001 0.315 0.000) 0.315 18.730 ( 0.001 0.315 0.000) 0.315 18.752 ( -0.106 0.745 0.000) 0.752 18.752 ( 0.106 0.745 0.000) 0.752 19.773 ( -0.862 -0.106 0.000) 0.869 19.773 ( 0.862 -0.106 0.000) 0.869 20.210 ( -1.482 0.427 0.000) 1.542 20.210 ( 1.482 0.427 0.000) 1.542 41.552 ( -0.079 -0.019 0.000) 0.081 41.552 ( 0.079 -0.019 0.000) 0.081 41.754 ( -0.005 0.370 0.000) 0.370 41.754 ( 0.005 0.370 0.000) 0.370 42.278 ( -4.090 9.360 0.000) 10.215 42.278 ( 4.090 9.360 0.000) 10.215 42.415 ( -5.394 6.535 0.000) 8.473 42.415 ( 5.394 6.535 0.000) 8.473 42.592 ( -5.725 8.125 0.000) 9.939 42.592 ( 5.725 8.125 0.000) 9.939 42.797 ( -4.383 2.659 0.000) 5.127 42.797 ( 4.383 2.659 0.000) 5.127 43.182 ( -4.849 3.878 0.000) 6.209 43.182 ( 4.849 3.878 0.000) 6.209 43.441 ( -5.864 3.421 0.000) 6.789 43.441 ( 5.864 3.421 0.000) 6.789 49.419 ( -0.454 -11.314 0.000) 11.323 49.419 ( 0.454 -11.314 0.000) 11.323 49.751 ( -4.288 -12.926 0.000) 13.618 49.751 ( 4.288 -12.926 0.000) 13.618 50.049 ( -7.087 -4.509 0.000) 8.400 50.049 ( 7.087 -4.509 0.000) 8.400 50.328 ( -6.845 -5.064 0.000) 8.515 50.328 ( 6.845 -5.064 0.000) 8.515 65.632 ( -0.015 -9.463 0.000) 9.463 65.632 ( 0.015 -9.463 0.000) 9.463 66.279 ( -0.746 -17.942 0.000) 17.957 66.279 ( 0.746 -17.942 0.000) 17.957 88.385 ( -0.045 -0.353 0.000) 0.355 88.385 ( 0.045 -0.353 0.000) 0.355 88.515 ( -0.124 -0.292 0.000) 0.317 88.515 ( 0.124 -0.292 0.000) 0.317 88.718 ( -0.718 -1.339 0.000) 1.519 88.718 ( 0.718 -1.339 0.000) 1.519 88.936 ( -0.001 -0.116 0.000) 0.116 88.936 ( 0.001 -0.116 0.000) 0.116 89.189 ( -0.698 -1.381 0.000) 1.547 89.189 ( 0.698 -1.381 0.000) 1.547 89.285 ( -0.019 0.063 0.000) 0.066 89.285 ( 0.019 0.063 0.000) 0.066 90.921 ( -2.108 -11.953 0.000) 12.137 90.921 ( 2.108 -11.953 0.000) 12.137 91.544 ( -0.012 -3.495 0.000) 3.495 91.544 ( 0.012 -3.495 0.000) 3.495 ======================= Grid point 28 (17/112) ======================= q-point: ( 0.00 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.824 ( 0.000 23.270 0.000) 23.270 2.217 ( 0.000 7.332 0.000) 7.332 2.383 ( 0.000 -1.471 0.000) 1.471 2.571 ( 0.000 12.596 0.000) 12.596 2.634 ( 0.000 1.765 0.000) 1.765 2.881 ( 0.000 -3.162 0.000) 3.162 2.887 ( 0.000 4.303 0.000) 4.303 2.936 ( 0.000 -6.316 0.000) 6.316 3.310 ( 0.000 17.618 0.000) 17.618 3.314 ( 0.000 3.147 0.000) 3.147 3.329 ( 0.000 1.339 0.000) 1.339 3.556 ( 0.000 3.410 0.000) 3.410 3.627 ( 0.000 -5.294 0.000) 5.294 3.820 ( 0.000 3.281 0.000) 3.281 3.909 ( 0.000 16.502 0.000) 16.502 4.056 ( 0.000 3.694 0.000) 3.694 4.214 ( 0.000 1.567 0.000) 1.567 5.190 ( 0.000 -0.410 0.000) 0.410 5.626 ( 0.000 -8.017 0.000) 8.017 5.832 ( 0.000 -8.391 0.000) 8.391 5.928 ( 0.000 -3.261 0.000) 3.261 5.952 ( 0.000 13.162 0.000) 13.162 6.442 ( 0.000 1.898 0.000) 1.898 6.575 ( 0.000 -14.998 0.000) 14.998 6.842 ( 0.000 9.815 0.000) 9.815 6.952 ( 0.000 -9.680 0.000) 9.680 7.038 ( 0.000 -4.625 0.000) 4.625 7.489 ( 0.000 -2.087 0.000) 2.087 7.705 ( 0.000 -3.621 0.000) 3.621 7.967 ( 0.000 1.237 0.000) 1.237 8.183 ( 0.000 0.820 0.000) 0.820 8.408 ( 0.000 -15.553 0.000) 15.553 14.685 ( 0.000 -8.729 0.000) 8.729 15.028 ( 0.000 -1.289 0.000) 1.289 15.048 ( 0.000 -3.344 0.000) 3.344 15.291 ( 0.000 -6.855 0.000) 6.855 15.629 ( 0.000 -5.378 0.000) 5.378 15.864 ( 0.000 -4.463 0.000) 4.463 15.987 ( 0.000 5.074 0.000) 5.074 16.068 ( 0.000 -6.741 0.000) 6.741 16.127 ( 0.000 1.533 0.000) 1.533 16.152 ( 0.000 -1.072 0.000) 1.072 16.381 ( 0.000 1.152 0.000) 1.152 16.534 ( 0.000 7.714 0.000) 7.714 18.731 ( 0.000 0.171 0.000) 0.171 18.733 ( 0.000 -0.194 0.000) 0.194 18.768 ( 0.000 0.432 0.000) 0.432 18.780 ( 0.000 0.773 0.000) 0.773 19.729 ( 0.000 -0.621 0.000) 0.621 19.829 ( 0.000 1.030 0.000) 1.030 20.160 ( 0.000 0.122 0.000) 0.122 20.275 ( 0.000 0.278 0.000) 0.278 41.591 ( 0.000 0.099 0.000) 0.099 41.599 ( 0.000 -0.038 0.000) 0.038 41.772 ( 0.000 0.219 0.000) 0.219 41.774 ( 0.000 -0.259 0.000) 0.259 42.201 ( 0.000 1.404 0.000) 1.404 42.283 ( 0.000 8.132 0.000) 8.132 42.536 ( 0.000 12.849 0.000) 12.849 42.613 ( 0.000 5.017 0.000) 5.017 42.751 ( 0.000 10.840 0.000) 10.840 42.803 ( 0.000 8.713 0.000) 8.713 43.028 ( 0.000 3.078 0.000) 3.078 43.036 ( 0.000 2.713 0.000) 2.713 43.089 ( 0.000 4.025 0.000) 4.025 43.218 ( 0.000 4.021 0.000) 4.021 43.393 ( 0.000 -0.057 0.000) 0.057 43.797 ( 0.000 7.953 0.000) 7.953 49.065 ( 0.000 -15.719 0.000) 15.719 49.250 ( 0.000 -10.991 0.000) 10.991 49.300 ( 0.000 -12.092 0.000) 12.092 49.616 ( 0.000 -15.384 0.000) 15.384 49.704 ( 0.000 -2.308 0.000) 2.308 50.031 ( 0.000 -2.122 0.000) 2.122 50.244 ( 0.000 -2.560 0.000) 2.560 50.461 ( 0.000 -6.017 0.000) 6.017 65.073 ( 0.000 -5.624 0.000) 5.624 65.478 ( 0.000 2.080 0.000) 2.080 65.764 ( 0.000 -21.819 0.000) 21.819 66.292 ( 0.000 -13.938 0.000) 13.938 88.445 ( 0.000 0.509 0.000) 0.509 88.489 ( 0.000 -0.456 0.000) 0.456 88.522 ( 0.000 0.119 0.000) 0.119 88.530 ( 0.000 0.136 0.000) 0.136 88.618 ( 0.000 -0.638 0.000) 0.638 88.698 ( 0.000 -2.976 0.000) 2.976 88.925 ( 0.000 -1.447 0.000) 1.447 89.009 ( 0.000 -0.041 0.000) 0.041 89.012 ( 0.000 -2.027 0.000) 2.027 89.023 ( 0.000 -1.348 0.000) 1.348 89.038 ( 0.000 -0.275 0.000) 0.275 89.104 ( 0.000 -2.296 0.000) 2.296 90.301 ( 0.000 -15.851 0.000) 15.851 91.264 ( 0.000 -4.896 0.000) 4.896 91.465 ( 0.000 -4.930 0.000) 4.930 91.729 ( 0.000 2.291 0.000) 2.291 ======================= Grid point 29 (18/112) ======================= q-point: ( 0.17 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.998 ( 15.939 18.968 0.000) 24.776 2.242 ( 2.281 7.392 0.000) 7.735 2.530 ( 13.437 0.203 0.000) 13.439 2.572 ( 0.565 11.176 0.000) 11.190 2.607 ( -0.201 0.510 0.000) 0.549 2.883 ( -0.912 8.848 0.000) 8.894 2.925 ( 0.510 -5.839 0.000) 5.862 3.003 ( 9.641 -1.997 0.000) 9.846 3.156 ( -7.910 6.735 0.000) 10.389 3.244 ( -7.060 2.110 0.000) 7.369 3.419 ( 4.866 7.930 0.000) 9.304 3.616 ( 0.536 8.624 0.000) 8.640 3.677 ( -5.219 5.235 0.000) 7.392 3.678 ( 3.653 -3.310 0.000) 4.929 3.990 ( 0.042 4.079 0.000) 4.080 4.137 ( 10.662 7.014 0.000) 12.762 4.158 ( -5.686 2.105 0.000) 6.063 5.229 ( 4.263 0.126 0.000) 4.265 5.468 ( -13.872 -5.941 0.000) 15.091 5.860 ( -8.372 10.704 0.000) 13.589 5.906 ( 7.229 -9.051 0.000) 11.584 6.081 ( 12.221 -4.105 0.000) 12.892 6.445 ( 0.332 1.362 0.000) 1.402 6.539 ( -3.334 -12.929 0.000) 13.352 6.789 ( -8.928 -4.427 0.000) 9.966 6.851 ( 0.760 8.770 0.000) 8.803 7.225 ( 11.071 -9.166 0.000) 14.373 7.489 ( -0.212 -1.448 0.000) 1.463 7.660 ( -4.307 -2.706 0.000) 5.086 7.902 ( -6.881 -1.025 0.000) 6.957 8.206 ( 2.060 0.091 0.000) 2.062 8.373 ( -2.970 -12.987 0.000) 13.322 14.708 ( 2.465 -8.393 0.000) 8.747 15.023 ( -2.579 -3.739 0.000) 4.542 15.044 ( 1.661 -1.521 0.000) 2.253 15.268 ( -2.243 -6.271 0.000) 6.660 15.659 ( 3.115 -5.161 0.000) 6.028 15.878 ( 1.458 -4.461 0.000) 4.693 16.001 ( 1.390 4.789 0.000) 4.986 16.046 ( -2.353 -5.827 0.000) 6.284 16.117 ( -3.425 -1.866 0.000) 3.900 16.121 ( -0.603 1.872 0.000) 1.966 16.399 ( 1.662 1.139 0.000) 2.015 16.525 ( -0.900 6.902 0.000) 6.960 18.732 ( 0.109 0.159 0.000) 0.192 18.733 ( -0.025 -0.132 0.000) 0.134 18.767 ( -0.113 0.474 0.000) 0.487 18.778 ( -0.213 0.768 0.000) 0.797 19.735 ( 0.663 -0.465 0.000) 0.810 19.821 ( -0.764 0.971 0.000) 1.235 20.167 ( 0.788 0.133 0.000) 0.799 20.267 ( -0.846 0.275 0.000) 0.889 41.583 ( -0.807 0.143 0.000) 0.820 41.587 ( -1.144 0.135 0.000) 1.151 41.769 ( -0.278 0.266 0.000) 0.384 41.771 ( -0.312 -0.162 0.000) 0.351 42.250 ( 5.006 1.982 0.000) 5.385 42.308 ( 2.660 8.281 0.000) 8.698 42.569 ( 3.337 12.219 0.000) 12.666 42.625 ( 0.672 5.958 0.000) 5.996 42.722 ( -2.039 9.564 0.000) 9.779 42.773 ( -3.170 8.607 0.000) 9.172 42.989 ( -3.597 3.894 0.000) 5.301 43.011 ( -2.672 2.549 0.000) 3.693 43.115 ( 2.317 3.623 0.000) 4.301 43.273 ( 5.248 3.877 0.000) 6.525 43.370 ( -2.333 0.133 0.000) 2.336 43.761 ( -3.733 7.565 0.000) 8.436 49.078 ( 1.399 -15.351 0.000) 15.414 49.238 ( -1.212 -11.264 0.000) 11.330 49.326 ( 2.657 -12.232 0.000) 12.517 49.599 ( -1.815 -15.087 0.000) 15.196 49.741 ( 3.866 -2.343 0.000) 4.521 50.055 ( 2.609 -2.470 0.000) 3.593 50.209 ( -3.661 -2.549 0.000) 4.461 50.428 ( -3.377 -5.816 0.000) 6.726 65.140 ( 6.517 -7.506 0.000) 9.941 65.486 ( 0.628 -0.424 0.000) 0.758 65.782 ( 2.051 -19.882 0.000) 19.988 66.245 ( -4.822 -13.288 0.000) 14.135 88.424 ( -1.924 0.222 0.000) 1.936 88.456 ( -3.748 -0.415 0.000) 3.770 88.515 ( 1.919 -1.085 0.000) 2.204 88.554 ( -0.560 0.815 0.000) 0.989 88.625 ( 1.236 -0.580 0.000) 1.365 88.715 ( 1.075 -2.695 0.000) 2.901 88.915 ( -0.423 -1.051 0.000) 1.132 88.944 ( -2.049 0.704 0.000) 2.167 89.016 ( 0.768 -0.318 0.000) 0.832 89.046 ( 3.356 -2.487 0.000) 4.177 89.145 ( 5.616 -1.744 0.000) 5.880 89.161 ( 4.750 -2.776 0.000) 5.502 90.342 ( 4.352 -15.422 0.000) 16.024 91.188 ( -8.320 -5.408 0.000) 9.924 91.453 ( -0.620 -4.308 0.000) 4.352 91.688 ( -4.001 2.130 0.000) 4.533 ======================= Grid point 30 (19/112) ======================= q-point: ( 0.33 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.274 ( 9.101 11.164 0.000) 14.403 2.287 ( 2.300 6.628 0.000) 7.016 2.636 ( 7.806 9.207 0.000) 12.071 2.672 ( 6.736 0.614 0.000) 6.764 2.708 ( 3.080 4.633 0.000) 5.563 2.825 ( -4.877 15.064 0.000) 15.834 3.041 ( -3.898 6.232 0.000) 7.350 3.094 ( 1.359 1.255 0.000) 1.849 3.102 ( 9.290 -2.786 0.000) 9.699 3.183 ( 7.883 -4.078 0.000) 8.876 3.463 ( -9.271 8.501 0.000) 12.578 3.524 ( 6.481 5.956 0.000) 8.802 3.688 ( -4.439 -3.556 0.000) 5.687 3.717 ( 1.139 3.642 0.000) 3.816 3.958 ( -1.784 2.165 0.000) 2.805 4.033 ( -6.061 3.226 0.000) 6.866 4.389 ( 15.549 5.349 0.000) 16.443 5.136 ( -20.965 -1.536 0.000) 21.021 5.346 ( 7.826 1.309 0.000) 7.935 5.682 ( -9.583 7.027 0.000) 11.883 6.070 ( 9.411 -9.750 0.000) 13.551 6.298 ( 6.807 -10.728 0.000) 12.705 6.458 ( 1.122 -0.062 0.000) 1.123 6.474 ( -1.858 -4.273 0.000) 4.659 6.672 ( -2.070 -1.119 0.000) 2.353 6.853 ( -1.568 5.490 0.000) 5.709 7.393 ( 5.881 -8.162 0.000) 10.060 7.470 ( -2.075 1.519 0.000) 2.572 7.579 ( -2.798 -3.029 0.000) 4.123 7.736 ( -9.159 -7.163 0.000) 11.627 8.248 ( 2.231 -1.498 0.000) 2.688 8.322 ( -2.201 -7.797 0.000) 8.102 14.773 ( 4.320 -7.467 0.000) 8.627 14.955 ( -4.449 -4.799 0.000) 6.544 15.088 ( 2.850 -2.230 0.000) 3.619 15.214 ( -3.388 -4.890 0.000) 5.950 15.742 ( 5.567 -4.557 0.000) 7.194 15.917 ( 2.649 -4.534 0.000) 5.251 15.974 ( -5.228 -4.045 0.000) 6.610 16.035 ( 1.602 2.842 0.000) 3.262 16.044 ( -3.505 -2.292 0.000) 4.188 16.103 ( -1.280 2.769 0.000) 3.051 16.434 ( 2.005 1.489 0.000) 2.498 16.502 ( -1.489 4.897 0.000) 5.118 18.733 ( 0.042 -0.024 0.000) 0.048 18.734 ( 0.069 0.110 0.000) 0.130 18.765 ( -0.016 0.589 0.000) 0.590 18.773 ( -0.323 0.749 0.000) 0.815 19.752 ( 1.153 -0.063 0.000) 1.155 19.802 ( -1.254 0.771 0.000) 1.472 20.188 ( 1.358 0.161 0.000) 1.367 20.245 ( -1.411 0.252 0.000) 1.434 41.565 ( -0.977 0.359 0.000) 1.041 41.566 ( -0.874 0.254 0.000) 0.910 41.763 ( -0.248 0.309 0.000) 0.396 41.764 ( -0.303 0.046 0.000) 0.307 42.374 ( 7.570 3.619 0.000) 8.390 42.377 ( 4.462 8.657 0.000) 9.739 42.589 ( -4.140 9.945 0.000) 10.772 42.651 ( 3.948 10.205 0.000) 10.942 42.690 ( -4.306 8.462 0.000) 9.494 42.737 ( 3.391 4.875 0.000) 5.939 42.903 ( -5.261 5.202 0.000) 7.399 42.940 ( -4.719 2.216 0.000) 5.213 43.169 ( 3.387 2.906 0.000) 4.463 43.312 ( -3.684 0.802 0.000) 3.770 43.394 ( 7.215 4.137 0.000) 8.317 43.664 ( -6.304 6.509 0.000) 9.061 49.114 ( 2.315 -14.386 0.000) 14.572 49.206 ( -2.140 -12.038 0.000) 12.227 49.393 ( 4.220 -12.674 0.000) 13.358 49.549 ( -3.373 -14.327 0.000) 14.718 49.842 ( 6.625 -2.418 0.000) 7.052 50.112 ( -6.412 -2.522 0.000) 6.890 50.126 ( 4.815 -3.352 0.000) 5.867 50.342 ( -5.573 -5.256 0.000) 7.660 65.286 ( 8.131 -10.634 0.000) 13.386 65.483 ( -1.505 -6.724 0.000) 6.891 65.849 ( 5.170 -14.943 0.000) 15.812 66.123 ( -7.701 -11.984 0.000) 14.245 88.388 ( -1.588 -0.294 0.000) 1.615 88.397 ( -2.339 -0.672 0.000) 2.434 88.529 ( -1.279 1.066 0.000) 1.665 88.531 ( -0.345 -0.743 0.000) 0.820 88.657 ( 1.814 -0.676 0.000) 1.936 88.714 ( -0.984 -1.944 0.000) 2.179 88.920 ( 0.838 -0.456 0.000) 0.954 88.943 ( 0.412 0.872 0.000) 0.964 89.066 ( 4.724 -1.743 0.000) 5.036 89.115 ( 3.240 -3.387 0.000) 4.688 89.228 ( 3.144 -2.023 0.000) 3.739 89.241 ( 3.038 -2.976 0.000) 4.253 90.467 ( 9.123 -13.541 0.000) 16.327 90.965 ( -14.469 -7.151 0.000) 16.140 91.458 ( 1.339 -2.569 0.000) 2.897 91.596 ( -5.307 1.315 0.000) 5.467 ======================= Grid point 31 (20/112) ======================= q-point: (-0.50 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 104 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.324 ( -0.727 6.842 0.000) 6.880 2.324 ( 0.727 6.842 0.000) 6.880 2.740 ( -0.909 9.823 0.000) 9.865 2.740 ( 0.909 9.824 0.000) 9.865 2.785 ( -0.001 3.922 0.000) 3.922 2.785 ( 0.001 3.922 0.000) 3.922 2.980 ( -0.006 8.152 0.000) 8.152 2.980 ( 0.006 8.152 0.000) 8.152 3.313 ( -6.704 0.792 0.000) 6.750 3.313 ( 6.704 0.792 0.000) 6.750 3.466 ( -16.761 -2.935 0.000) 17.016 3.466 ( 16.761 -2.935 0.000) 17.016 3.663 ( -1.608 3.269 0.000) 3.643 3.663 ( 1.608 3.269 0.000) 3.643 3.961 ( -2.032 2.690 0.000) 3.371 3.961 ( 2.032 2.690 0.000) 3.371 4.730 ( -20.626 3.177 0.000) 20.869 4.730 ( 20.626 3.177 0.000) 20.869 5.508 ( -3.767 3.279 0.000) 4.994 5.508 ( 3.767 3.279 0.000) 4.994 6.240 ( -6.033 -11.373 0.000) 12.874 6.240 ( 6.033 -11.373 0.000) 12.874 6.480 ( -0.021 -0.980 0.000) 0.980 6.480 ( 0.021 -0.980 0.000) 0.980 6.757 ( -6.833 1.878 0.000) 7.087 6.757 ( 6.833 1.878 0.000) 7.087 7.434 ( -0.048 1.867 0.000) 1.868 7.434 ( 0.048 1.867 0.000) 1.868 7.605 ( -3.085 -10.321 0.000) 10.772 7.605 ( 3.085 -10.321 0.000) 10.772 8.286 ( -0.310 -3.921 0.000) 3.933 8.286 ( 0.310 -3.921 0.000) 3.933 14.864 ( -1.585 -6.170 0.000) 6.371 14.864 ( 1.585 -6.170 0.000) 6.371 15.148 ( -0.790 -3.400 0.000) 3.490 15.148 ( 0.790 -3.400 0.000) 3.490 15.859 ( -4.855 -3.820 0.000) 6.177 15.859 ( 4.855 -3.820 0.000) 6.177 15.974 ( -1.580 -4.742 0.000) 4.998 15.974 ( 1.580 -4.742 0.000) 4.998 16.073 ( -0.364 3.876 0.000) 3.893 16.073 ( 0.364 3.876 0.000) 3.893 16.471 ( -0.310 2.777 0.000) 2.794 16.471 ( 0.310 2.777 0.000) 2.794 18.734 ( -0.008 0.048 0.000) 0.048 18.734 ( 0.008 0.048 0.000) 0.048 18.767 ( -0.203 0.700 0.000) 0.729 18.767 ( 0.203 0.700 0.000) 0.729 19.777 ( -1.369 0.406 0.000) 1.428 19.777 ( 1.369 0.406 0.000) 1.428 20.216 ( -1.550 0.205 0.000) 1.563 20.216 ( 1.550 0.205 0.000) 1.563 41.556 ( -0.013 0.369 0.000) 0.370 41.556 ( 0.013 0.369 0.000) 0.370 41.761 ( -0.000 0.234 0.000) 0.234 41.761 ( 0.000 0.234 0.000) 0.234 42.459 ( -0.990 7.915 0.000) 7.977 42.459 ( 0.990 7.915 0.000) 7.977 42.562 ( -5.266 7.824 0.000) 9.431 42.562 ( 5.266 7.824 0.000) 9.431 42.764 ( -2.699 8.348 0.000) 8.774 42.764 ( 2.699 8.348 0.000) 8.774 42.851 ( -2.809 2.502 0.000) 3.761 42.851 ( 2.809 2.502 0.000) 3.761 43.239 ( -3.802 1.869 0.000) 4.236 43.239 ( 3.802 1.869 0.000) 4.236 43.533 ( -7.404 5.163 0.000) 9.026 43.533 ( 7.404 5.163 0.000) 9.026 49.161 ( -1.304 -13.165 0.000) 13.229 49.161 ( 1.304 -13.165 0.000) 13.229 49.476 ( -3.191 -13.419 0.000) 13.793 49.476 ( 3.191 -13.419 0.000) 13.793 49.979 ( -7.274 -2.482 0.000) 7.686 49.979 ( 7.274 -2.482 0.000) 7.686 50.230 ( -5.745 -4.390 0.000) 7.231 50.230 ( 5.745 -4.390 0.000) 7.231 65.418 ( -5.274 -11.043 0.000) 12.238 65.418 ( 5.274 -11.043 0.000) 12.238 65.973 ( -3.984 -11.803 0.000) 12.457 65.973 ( 3.984 -11.803 0.000) 12.457 88.373 ( -0.020 -0.632 0.000) 0.633 88.373 ( 0.020 -0.632 0.000) 0.633 88.520 ( -0.005 0.562 0.000) 0.562 88.520 ( 0.005 0.562 0.000) 0.562 88.689 ( -0.572 -1.247 0.000) 1.372 88.689 ( 0.572 -1.247 0.000) 1.372 88.938 ( -0.051 0.211 0.000) 0.217 88.938 ( 0.051 0.211 0.000) 0.217 89.138 ( -0.300 -3.672 0.000) 3.684 89.138 ( 0.300 -3.672 0.000) 3.684 89.263 ( -0.016 -2.191 0.000) 2.191 89.263 ( 0.016 -2.191 0.000) 2.191 90.687 ( -3.965 -10.185 0.000) 10.929 90.687 ( 3.965 -10.185 0.000) 10.929 91.507 ( -0.265 -0.418 0.000) 0.495 91.507 ( 0.265 -0.418 0.000) 0.495 ======================= Grid point 35 (21/112) ======================= q-point: ( 0.00 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.228 ( 0.000 -3.553 0.000) 3.553 2.259 ( 0.000 16.033 0.000) 16.033 2.412 ( 0.000 6.809 0.000) 6.809 2.663 ( 0.000 0.503 0.000) 0.503 2.764 ( 0.000 -0.494 0.000) 0.494 2.812 ( 0.000 -3.130 0.000) 3.130 2.861 ( 0.000 6.775 0.000) 6.775 3.028 ( 0.000 8.294 0.000) 8.294 3.377 ( 0.000 2.855 0.000) 2.855 3.396 ( 0.000 3.784 0.000) 3.784 3.498 ( 0.000 -7.982 0.000) 7.982 3.541 ( 0.000 -2.729 0.000) 2.729 3.679 ( 0.000 17.804 0.000) 17.804 3.902 ( 0.000 3.078 0.000) 3.078 4.014 ( 0.000 -5.090 0.000) 5.090 4.109 ( 0.000 2.272 0.000) 2.272 4.263 ( 0.000 3.285 0.000) 3.285 5.344 ( 0.000 -17.703 0.000) 17.703 5.349 ( 0.000 13.933 0.000) 13.933 5.690 ( 0.000 -5.369 0.000) 5.369 5.831 ( 0.000 -5.698 0.000) 5.698 6.243 ( 0.000 13.816 0.000) 13.816 6.292 ( 0.000 -11.657 0.000) 11.657 6.511 ( 0.000 4.263 0.000) 4.263 6.815 ( 0.000 -4.104 0.000) 4.104 6.944 ( 0.000 -4.654 0.000) 4.654 7.037 ( 0.000 9.369 0.000) 9.369 7.427 ( 0.000 -3.599 0.000) 3.599 7.641 ( 0.000 -2.620 0.000) 2.620 7.992 ( 0.000 1.104 0.000) 1.104 8.070 ( 0.000 -16.972 0.000) 16.972 8.209 ( 0.000 1.422 0.000) 1.422 14.526 ( 0.000 -6.411 0.000) 6.411 14.989 ( 0.000 -2.345 0.000) 2.345 15.009 ( 0.000 -0.636 0.000) 0.636 15.170 ( 0.000 -4.742 0.000) 4.742 15.535 ( 0.000 -3.741 0.000) 3.741 15.783 ( 0.000 -3.254 0.000) 3.254 15.941 ( 0.000 -5.127 0.000) 5.127 16.101 ( 0.000 5.791 0.000) 5.791 16.141 ( 0.000 -0.304 0.000) 0.304 16.151 ( 0.000 0.900 0.000) 0.900 16.380 ( 0.000 -1.260 0.000) 1.260 16.677 ( 0.000 5.894 0.000) 5.894 18.729 ( 0.000 -0.193 0.000) 0.193 18.732 ( 0.000 -0.003 0.000) 0.003 18.776 ( 0.000 0.284 0.000) 0.284 18.794 ( 0.000 0.515 0.000) 0.515 19.718 ( 0.000 -0.430 0.000) 0.430 19.848 ( 0.000 0.822 0.000) 0.822 20.162 ( 0.000 0.085 0.000) 0.085 20.279 ( 0.000 0.142 0.000) 0.142 41.595 ( 0.000 0.239 0.000) 0.239 41.599 ( 0.000 -0.004 0.000) 0.004 41.767 ( 0.000 -0.393 0.000) 0.393 41.777 ( 0.000 0.256 0.000) 0.256 42.226 ( 0.000 0.983 0.000) 0.983 42.431 ( 0.000 6.063 0.000) 6.063 42.701 ( 0.000 3.517 0.000) 3.517 42.777 ( 0.000 10.075 0.000) 10.075 42.945 ( 0.000 4.776 0.000) 4.776 42.954 ( 0.000 8.470 0.000) 8.470 43.086 ( 0.000 2.458 0.000) 2.458 43.106 ( 0.000 4.174 0.000) 4.174 43.159 ( 0.000 2.696 0.000) 2.696 43.292 ( 0.000 2.988 0.000) 2.988 43.380 ( 0.000 -1.151 0.000) 1.151 43.941 ( 0.000 5.786 0.000) 5.786 48.766 ( 0.000 -12.587 0.000) 12.587 49.044 ( 0.000 -8.591 0.000) 8.591 49.079 ( 0.000 -9.067 0.000) 9.067 49.331 ( 0.000 -11.795 0.000) 11.795 49.672 ( 0.000 -1.018 0.000) 1.018 49.993 ( 0.000 -1.479 0.000) 1.479 50.206 ( 0.000 -1.239 0.000) 1.239 50.353 ( 0.000 -4.369 0.000) 4.369 64.973 ( 0.000 -3.968 0.000) 3.968 65.379 ( 0.000 -15.213 0.000) 15.213 65.514 ( 0.000 1.409 0.000) 1.409 66.048 ( 0.000 -9.497 0.000) 9.497 88.455 ( 0.000 0.476 0.000) 0.476 88.480 ( 0.000 -0.448 0.000) 0.448 88.527 ( 0.000 0.317 0.000) 0.317 88.535 ( 0.000 0.382 0.000) 0.382 88.602 ( 0.000 -0.897 0.000) 0.897 88.645 ( 0.000 -2.143 0.000) 2.143 88.893 ( 0.000 -1.517 0.000) 1.517 88.974 ( 0.000 -1.540 0.000) 1.540 89.002 ( 0.000 -0.718 0.000) 0.718 89.010 ( 0.000 0.168 0.000) 0.168 89.032 ( 0.000 -0.345 0.000) 0.345 89.048 ( 0.000 -2.871 0.000) 2.871 90.010 ( 0.000 -11.896 0.000) 11.896 91.185 ( 0.000 -2.860 0.000) 2.860 91.398 ( 0.000 -1.874 0.000) 1.874 91.769 ( 0.000 1.591 0.000) 1.591 ======================= Grid point 36 (22/112) ======================= q-point: ( 0.17 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.267 ( 3.904 -2.884 0.000) 4.854 2.367 ( 8.938 15.456 0.000) 17.854 2.553 ( 14.143 3.975 0.000) 14.691 2.616 ( -1.946 1.395 0.000) 2.394 2.767 ( 1.446 -0.233 0.000) 1.465 2.839 ( -2.038 5.185 0.000) 5.571 2.907 ( 6.906 -6.188 0.000) 9.273 3.081 ( 4.284 9.260 0.000) 10.203 3.268 ( -6.876 0.337 0.000) 6.884 3.329 ( -5.030 8.259 0.000) 9.670 3.531 ( 0.693 0.358 0.000) 0.780 3.627 ( 8.605 -3.265 0.000) 9.203 3.742 ( 3.528 11.430 0.000) 11.962 3.814 ( -7.302 3.575 0.000) 8.130 4.031 ( -0.255 -0.159 0.000) 0.301 4.173 ( 7.015 -2.126 0.000) 7.330 4.209 ( -5.418 2.830 0.000) 6.112 5.227 ( -11.214 -15.803 0.000) 19.378 5.374 ( 2.932 12.133 0.000) 12.482 5.750 ( 5.925 -5.958 0.000) 8.403 5.908 ( 6.224 -7.770 0.000) 9.955 6.097 ( -10.263 3.890 0.000) 10.975 6.377 ( 4.845 0.606 0.000) 4.883 6.510 ( -0.101 4.458 0.000) 4.459 6.738 ( -4.787 -0.991 0.000) 4.888 7.021 ( -1.789 7.768 0.000) 7.971 7.044 ( 7.305 -8.480 0.000) 11.193 7.441 ( 1.349 -2.716 0.000) 3.032 7.617 ( -2.293 -1.565 0.000) 2.777 7.844 ( -12.262 -6.259 0.000) 13.767 8.130 ( 3.230 -8.911 0.000) 9.478 8.215 ( 0.479 0.645 0.000) 0.803 14.557 ( 3.179 -6.110 0.000) 6.887 14.957 ( -3.281 -2.605 0.000) 4.189 15.020 ( 1.146 -0.860 0.000) 1.433 15.158 ( -1.213 -4.336 0.000) 4.503 15.569 ( 3.631 -3.485 0.000) 5.033 15.795 ( 1.250 -3.401 0.000) 3.624 15.927 ( -1.410 -4.828 0.000) 5.030 16.077 ( -3.836 0.240 0.000) 3.843 16.132 ( 0.493 4.891 0.000) 4.916 16.154 ( 0.241 1.276 0.000) 1.299 16.396 ( 1.662 -1.396 0.000) 2.171 16.652 ( -2.578 5.173 0.000) 5.780 18.729 ( 0.055 -0.165 0.000) 0.174 18.733 ( 0.076 -0.016 0.000) 0.078 18.775 ( -0.017 0.327 0.000) 0.327 18.792 ( -0.215 0.518 0.000) 0.561 19.728 ( 1.035 -0.247 0.000) 1.064 19.840 ( -0.817 0.834 0.000) 1.167 20.169 ( 0.774 0.064 0.000) 0.777 20.271 ( -0.876 0.123 0.000) 0.884 41.588 ( -0.728 0.270 0.000) 0.776 41.590 ( -0.886 0.102 0.000) 0.892 41.765 ( -0.129 -0.314 0.000) 0.340 41.774 ( -0.256 0.250 0.000) 0.358 42.286 ( 6.111 1.409 0.000) 6.271 42.460 ( 2.961 6.193 0.000) 6.864 42.720 ( 1.826 3.480 0.000) 3.930 42.797 ( 2.072 9.531 0.000) 9.753 42.911 ( -3.974 8.085 0.000) 9.009 42.919 ( -2.750 5.309 0.000) 5.979 43.062 ( -2.279 3.107 0.000) 3.853 43.071 ( -3.689 3.359 0.000) 4.989 43.176 ( 1.648 2.322 0.000) 2.848 43.347 ( 5.407 3.158 0.000) 6.261 43.361 ( -1.856 -0.896 0.000) 2.061 43.899 ( -4.379 5.559 0.000) 7.076 48.787 ( 2.126 -12.287 0.000) 12.470 49.027 ( -1.782 -8.830 0.000) 9.008 49.102 ( 2.353 -9.194 0.000) 9.490 49.320 ( -1.239 -11.553 0.000) 11.619 49.708 ( 3.815 -1.028 0.000) 3.951 50.012 ( 1.981 -1.722 0.000) 2.625 50.171 ( -3.621 -1.221 0.000) 3.821 50.324 ( -2.992 -4.215 0.000) 5.170 65.012 ( 3.897 -4.884 0.000) 6.249 65.349 ( -2.630 -12.454 0.000) 12.728 65.562 ( 4.458 -1.630 0.000) 4.747 66.013 ( -3.701 -9.072 0.000) 9.798 88.428 ( -2.509 0.133 0.000) 2.513 88.451 ( -4.144 -0.094 0.000) 4.145 88.497 ( 1.587 -0.550 0.000) 1.680 88.570 ( -0.166 0.686 0.000) 0.706 88.617 ( 1.879 -0.196 0.000) 1.889 88.667 ( 1.624 -2.002 0.000) 2.578 88.893 ( 0.287 -0.990 0.000) 1.031 88.956 ( -1.328 0.389 0.000) 1.384 88.990 ( 1.773 -2.952 0.000) 3.443 89.012 ( 0.109 -0.025 0.000) 0.112 89.096 ( 4.101 -3.068 0.000) 5.122 89.108 ( 4.654 -1.722 0.000) 4.963 90.064 ( 5.861 -11.100 0.000) 12.552 91.102 ( -9.083 -2.969 0.000) 9.556 91.397 ( 0.530 -1.492 0.000) 1.584 91.728 ( -4.157 1.631 0.000) 4.465 ======================= Grid point 37 (23/112) ======================= q-point: ( 0.33 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.355 ( 4.951 0.301 0.000) 4.960 2.480 ( 1.245 8.980 0.000) 9.066 2.631 ( 3.397 -0.557 0.000) 3.442 2.754 ( 1.861 0.483 0.000) 1.923 2.818 ( 4.091 6.967 0.000) 8.079 2.973 ( 18.318 -4.716 0.000) 18.915 2.983 ( -0.451 -7.014 0.000) 7.029 3.135 ( 0.906 9.368 0.000) 9.412 3.173 ( -0.983 4.620 0.000) 4.724 3.309 ( 4.372 13.363 0.000) 14.060 3.570 ( 1.989 -1.440 0.000) 2.455 3.643 ( -9.138 6.129 0.000) 11.003 3.741 ( -3.978 8.632 0.000) 9.504 3.765 ( 3.234 1.048 0.000) 3.400 4.003 ( -1.657 2.291 0.000) 2.827 4.091 ( -5.767 1.995 0.000) 6.103 4.360 ( 12.635 -6.304 0.000) 14.120 4.960 ( -16.440 -12.965 0.000) 20.937 5.471 ( 7.467 9.142 0.000) 11.804 5.861 ( -11.487 7.330 0.000) 13.627 5.884 ( 7.552 -7.783 0.000) 10.844 6.028 ( 2.214 -12.676 0.000) 12.868 6.471 ( 4.550 4.179 0.000) 6.178 6.508 ( 0.014 4.681 0.000) 4.681 6.692 ( 1.543 1.801 0.000) 2.372 6.961 ( -4.984 4.788 0.000) 6.911 7.180 ( 7.093 -11.470 0.000) 13.486 7.472 ( 1.808 -1.517 0.000) 2.360 7.566 ( -2.883 0.389 0.000) 2.909 7.577 ( -14.763 -7.787 0.000) 16.691 8.180 ( 2.123 -5.726 0.000) 6.107 8.221 ( -0.029 -1.148 0.000) 1.148 14.640 ( 5.523 -5.312 0.000) 7.663 14.871 ( -5.634 -3.305 0.000) 6.532 15.049 ( 1.887 -1.467 0.000) 2.391 15.128 ( -1.956 -3.388 0.000) 3.912 15.666 ( 6.414 -2.817 0.000) 7.005 15.828 ( 2.188 -3.839 0.000) 4.419 15.889 ( -2.880 -3.820 0.000) 4.784 15.973 ( -6.397 -2.324 0.000) 6.806 16.150 ( 0.977 5.703 0.000) 5.786 16.159 ( 0.286 2.426 0.000) 2.442 16.440 ( 2.977 -0.964 0.000) 3.129 16.587 ( -4.096 3.261 0.000) 5.235 18.731 ( 0.116 -0.114 0.000) 0.163 18.734 ( 0.013 -0.049 0.000) 0.051 18.776 ( 0.114 0.424 0.000) 0.439 18.786 ( -0.340 0.520 0.000) 0.621 19.754 ( 1.679 0.176 0.000) 1.689 19.819 ( -1.461 0.797 0.000) 1.664 20.190 ( 1.362 0.029 0.000) 1.362 20.248 ( -1.464 0.075 0.000) 1.466 41.572 ( -0.812 0.287 0.000) 0.862 41.572 ( -0.767 0.337 0.000) 0.837 41.763 ( -0.061 -0.128 0.000) 0.142 41.768 ( -0.309 0.201 0.000) 0.369 42.440 ( 9.590 2.626 0.000) 9.943 42.535 ( 4.703 6.437 0.000) 7.972 42.752 ( 0.093 5.273 0.000) 5.274 42.825 ( -4.095 6.581 0.000) 7.751 42.838 ( -1.879 5.342 0.000) 5.663 42.863 ( 1.598 7.962 0.000) 8.121 42.979 ( -5.596 1.485 0.000) 5.790 43.006 ( -3.619 4.500 0.000) 5.775 43.215 ( 2.445 1.655 0.000) 2.952 43.317 ( -2.675 -0.126 0.000) 2.678 43.476 ( 7.888 3.524 0.000) 8.639 43.785 ( -7.396 4.951 0.000) 8.900 48.841 ( 3.509 -11.493 0.000) 12.016 48.979 ( -3.175 -9.500 0.000) 10.016 49.160 ( 3.599 -9.576 0.000) 10.230 49.285 ( -2.471 -10.935 0.000) 11.210 49.808 ( 6.545 -1.062 0.000) 6.630 50.067 ( 3.836 -2.350 0.000) 4.499 50.075 ( -6.346 -1.175 0.000) 6.454 50.248 ( -4.859 -3.778 0.000) 6.155 65.105 ( 5.583 -6.903 0.000) 8.878 65.290 ( -3.723 -10.389 0.000) 11.036 65.665 ( 6.294 -4.313 0.000) 7.630 65.917 ( -6.169 -7.910 0.000) 10.032 88.382 ( -1.990 -0.266 0.000) 2.008 88.387 ( -2.489 -0.314 0.000) 2.509 88.523 ( 0.929 0.068 0.000) 0.932 88.553 ( -1.108 1.221 0.000) 1.649 88.651 ( 1.501 0.086 0.000) 1.503 88.683 ( 0.015 -1.213 0.000) 1.213 88.911 ( 1.538 -0.418 0.000) 1.594 88.955 ( 0.182 -0.045 0.000) 0.187 89.023 ( 1.271 -1.993 0.000) 2.364 89.028 ( 1.866 -4.852 0.000) 5.199 89.171 ( 3.347 -3.267 0.000) 4.677 89.181 ( 2.864 -2.368 0.000) 3.716 90.236 ( 12.494 -8.641 0.000) 15.191 90.854 ( -16.477 -3.727 0.000) 16.893 91.432 ( 3.194 -0.379 0.000) 3.216 91.627 ( -6.136 1.507 0.000) 6.319 ======================= Grid point 38 (24/112) ======================= q-point: (-0.50 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 104 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.442 ( -3.622 4.757 0.000) 5.978 2.442 ( 3.622 4.757 0.000) 5.979 2.711 ( -1.212 -2.677 0.000) 2.939 2.711 ( 1.212 -2.677 0.000) 2.939 2.931 ( -1.273 -0.474 0.000) 1.358 2.931 ( 1.273 -0.474 0.000) 1.358 3.106 ( -0.414 6.274 0.000) 6.288 3.106 ( 0.415 6.274 0.000) 6.288 3.411 ( -13.336 5.447 0.000) 14.405 3.411 ( 13.336 5.447 0.000) 14.405 3.468 ( -2.401 5.625 0.000) 6.116 3.468 ( 2.401 5.625 0.000) 6.116 3.742 ( -0.612 3.994 0.000) 4.041 3.742 ( 0.612 3.994 0.000) 4.041 4.015 ( -1.678 2.039 0.000) 2.641 4.015 ( 1.678 2.039 0.000) 2.641 4.640 ( -13.056 -9.452 0.000) 16.118 4.640 ( 13.056 -9.452 0.000) 16.118 5.646 ( -9.913 7.820 0.000) 12.627 5.646 ( 9.913 7.820 0.000) 12.627 6.005 ( -4.201 -10.538 0.000) 11.345 6.005 ( 4.201 -10.538 0.000) 11.345 6.509 ( -0.006 4.515 0.000) 4.515 6.509 ( 0.006 4.515 0.000) 4.515 6.820 ( -8.341 3.331 0.000) 8.981 6.820 ( 8.341 3.331 0.000) 8.981 7.332 ( -9.815 -11.365 0.000) 15.017 7.332 ( 9.815 -11.365 0.000) 15.017 7.516 ( -0.753 1.144 0.000) 1.369 7.516 ( 0.753 1.144 0.000) 1.370 8.210 ( -0.232 -3.316 0.000) 3.324 8.210 ( 0.232 -3.316 0.000) 3.324 14.755 ( -3.276 -4.281 0.000) 5.391 14.755 ( 3.276 -4.281 0.000) 5.391 15.088 ( -0.424 -2.348 0.000) 2.386 15.088 ( 0.424 -2.348 0.000) 2.386 15.797 ( -5.945 -2.130 0.000) 6.315 15.797 ( 5.945 -2.130 0.000) 6.315 15.878 ( -1.662 -4.303 0.000) 4.613 15.878 ( 1.662 -4.303 0.000) 4.613 16.161 ( -0.003 4.188 0.000) 4.188 16.161 ( 0.003 4.188 0.000) 4.188 16.507 ( -1.396 0.849 0.000) 1.634 16.507 ( 1.396 0.849 0.000) 1.634 18.733 ( -0.022 -0.079 0.000) 0.082 18.733 ( 0.022 -0.079 0.000) 0.082 18.780 ( -0.286 0.497 0.000) 0.573 18.780 ( 0.286 0.497 0.000) 0.573 19.788 ( -1.787 0.582 0.000) 1.879 19.788 ( 1.787 0.582 0.000) 1.879 20.218 ( -1.539 0.032 0.000) 1.539 20.218 ( 1.539 0.032 0.000) 1.539 41.564 ( -0.008 0.370 0.000) 0.370 41.564 ( 0.008 0.370 0.000) 0.370 41.764 ( -0.012 0.069 0.000) 0.070 41.764 ( 0.012 0.069 0.000) 0.070 42.591 ( -1.176 4.946 0.000) 5.084 42.591 ( 1.176 4.946 0.000) 5.084 42.721 ( -1.306 7.212 0.000) 7.329 42.721 ( 1.306 7.212 0.000) 7.329 42.880 ( -3.344 1.692 0.000) 3.748 42.880 ( 3.344 1.692 0.000) 3.748 42.932 ( -3.177 6.165 0.000) 6.935 42.932 ( 3.177 6.165 0.000) 6.935 43.265 ( -2.713 0.821 0.000) 2.835 43.265 ( 2.713 0.821 0.000) 2.835 43.633 ( -8.526 4.174 0.000) 9.493 43.633 ( 8.526 4.174 0.000) 9.493 48.912 ( -2.886 -10.465 0.000) 10.856 48.912 ( 2.886 -10.465 0.000) 10.856 49.228 ( -2.572 -10.194 0.000) 10.514 49.228 ( 2.572 -10.194 0.000) 10.514 49.943 ( -7.329 -1.116 0.000) 7.414 49.943 ( 7.329 -1.116 0.000) 7.414 50.152 ( -4.899 -3.114 0.000) 5.805 50.152 ( 4.899 -3.114 0.000) 5.805 65.208 ( -5.025 -8.842 0.000) 10.170 65.208 ( 5.025 -8.842 0.000) 10.170 65.791 ( -5.196 -6.270 0.000) 8.143 65.791 ( 5.196 -6.270 0.000) 8.143 88.362 ( -0.002 -0.385 0.000) 0.385 88.362 ( 0.002 -0.385 0.000) 0.385 88.536 ( -0.032 1.071 0.000) 1.072 88.536 ( 0.032 1.071 0.000) 1.072 88.673 ( -0.704 -0.354 0.000) 0.788 88.673 ( 0.704 -0.354 0.000) 0.788 88.941 ( -0.141 -0.001 0.000) 0.141 88.941 ( 0.141 -0.001 0.000) 0.141 89.045 ( -0.013 -5.009 0.000) 5.009 89.045 ( 0.013 -5.009 0.000) 5.009 89.207 ( -0.006 -2.871 0.000) 2.871 89.207 ( 0.006 -2.871 0.000) 2.871 90.524 ( -8.445 -5.642 0.000) 10.156 90.524 ( 8.445 -5.642 0.000) 10.156 91.514 ( -0.883 0.825 0.000) 1.208 91.514 ( 0.883 0.825 0.000) 1.208 ======================= Grid point 42 (25/112) ======================= q-point: ( 0.00 0.46 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.157 ( 0.000 -2.215 0.000) 2.215 2.379 ( 0.000 1.513 0.000) 1.513 2.659 ( 0.000 -0.377 0.000) 0.377 2.704 ( 0.000 -1.959 0.000) 1.959 2.705 ( 0.000 13.322 0.000) 13.322 2.766 ( 0.000 -1.223 0.000) 1.223 3.047 ( 0.000 6.480 0.000) 6.480 3.176 ( 0.000 4.975 0.000) 4.975 3.294 ( 0.000 -9.510 0.000) 9.510 3.409 ( 0.000 -1.752 0.000) 1.752 3.439 ( 0.000 2.855 0.000) 2.855 3.540 ( 0.000 1.479 0.000) 1.479 3.841 ( 0.000 -7.942 0.000) 7.942 3.923 ( 0.000 -0.189 0.000) 0.189 3.969 ( 0.000 8.065 0.000) 8.065 4.156 ( 0.000 1.679 0.000) 1.679 4.372 ( 0.000 7.230 0.000) 7.230 4.979 ( 0.000 -14.731 0.000) 14.731 5.604 ( 0.000 7.827 0.000) 7.827 5.616 ( 0.000 -1.819 0.000) 1.819 5.730 ( 0.000 -3.184 0.000) 3.184 6.129 ( 0.000 -4.028 0.000) 4.028 6.475 ( 0.000 7.508 0.000) 7.508 6.587 ( 0.000 2.427 0.000) 2.427 6.767 ( 0.000 -0.970 0.000) 0.970 6.850 ( 0.000 -3.831 0.000) 3.831 7.221 ( 0.000 7.520 0.000) 7.520 7.364 ( 0.000 -1.985 0.000) 1.985 7.603 ( 0.000 -0.997 0.000) 0.997 7.758 ( 0.000 -11.387 0.000) 11.387 8.009 ( 0.000 0.426 0.000) 0.426 8.232 ( 0.000 0.634 0.000) 0.634 14.435 ( 0.000 -2.340 0.000) 2.340 14.956 ( 0.000 -0.839 0.000) 0.839 15.001 ( 0.000 -0.174 0.000) 0.174 15.103 ( 0.000 -1.689 0.000) 1.689 15.481 ( 0.000 -1.372 0.000) 1.372 15.737 ( 0.000 -1.174 0.000) 1.174 15.868 ( 0.000 -1.852 0.000) 1.852 16.137 ( 0.000 -0.090 0.000) 0.090 16.164 ( 0.000 0.303 0.000) 0.303 16.210 ( 0.000 4.367 0.000) 4.367 16.334 ( 0.000 -2.711 0.000) 2.711 16.762 ( 0.000 2.203 0.000) 2.203 18.726 ( 0.000 -0.084 0.000) 0.084 18.732 ( 0.000 -0.028 0.000) 0.028 18.780 ( 0.000 0.102 0.000) 0.102 18.801 ( 0.000 0.177 0.000) 0.177 19.712 ( 0.000 -0.153 0.000) 0.153 19.860 ( 0.000 0.315 0.000) 0.315 20.163 ( 0.000 0.031 0.000) 0.031 20.281 ( 0.000 0.039 0.000) 0.039 41.599 ( 0.000 0.003 0.000) 0.003 41.599 ( 0.000 0.115 0.000) 0.115 41.760 ( 0.000 -0.185 0.000) 0.185 41.781 ( 0.000 0.112 0.000) 0.112 42.240 ( 0.000 0.352 0.000) 0.352 42.518 ( 0.000 2.258 0.000) 2.258 42.751 ( 0.000 1.260 0.000) 1.260 42.924 ( 0.000 3.879 0.000) 3.879 43.002 ( 0.000 1.184 0.000) 1.184 43.077 ( 0.000 3.251 0.000) 3.251 43.122 ( 0.000 0.950 0.000) 0.950 43.187 ( 0.000 2.834 0.000) 2.834 43.197 ( 0.000 0.947 0.000) 0.947 43.335 ( 0.000 1.101 0.000) 1.101 43.352 ( 0.000 -1.230 0.000) 1.230 44.023 ( 0.000 2.092 0.000) 2.092 48.582 ( 0.000 -4.829 0.000) 4.829 48.919 ( 0.000 -3.240 0.000) 3.240 48.948 ( 0.000 -3.368 0.000) 3.368 49.160 ( 0.000 -4.468 0.000) 4.468 49.659 ( 0.000 -0.291 0.000) 0.291 49.972 ( 0.000 -0.544 0.000) 0.544 50.191 ( 0.000 -0.259 0.000) 0.259 50.289 ( 0.000 -1.697 0.000) 1.697 64.917 ( 0.000 -1.428 0.000) 1.428 65.164 ( 0.000 -5.447 0.000) 5.447 65.534 ( 0.000 0.496 0.000) 0.496 65.915 ( 0.000 -3.356 0.000) 3.356 88.463 ( 0.000 0.283 0.000) 0.283 88.472 ( 0.000 -0.275 0.000) 0.275 88.532 ( 0.000 0.165 0.000) 0.165 88.545 ( 0.000 0.460 0.000) 0.460 88.584 ( 0.000 -0.702 0.000) 0.702 88.614 ( 0.000 -0.822 0.000) 0.822 88.870 ( 0.000 -0.634 0.000) 0.634 88.952 ( 0.000 -0.553 0.000) 0.553 88.993 ( 0.000 -0.196 0.000) 0.196 89.002 ( 0.000 -1.271 0.000) 1.271 89.014 ( 0.000 0.225 0.000) 0.225 89.025 ( 0.000 -0.279 0.000) 0.279 89.840 ( 0.000 -4.391 0.000) 4.391 91.146 ( 0.000 -0.922 0.000) 0.922 91.377 ( 0.000 -0.372 0.000) 0.372 91.791 ( 0.000 0.568 0.000) 0.568 ======================= Grid point 43 (26/112) ======================= q-point: ( 0.17 0.46 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.204 ( 4.874 -2.075 0.000) 5.297 2.523 ( 13.156 2.158 0.000) 13.332 2.666 ( 0.399 3.210 0.000) 3.235 2.699 ( 0.175 -1.514 0.000) 1.524 2.757 ( 5.153 10.649 0.000) 11.830 2.781 ( 1.969 -5.393 0.000) 5.741 2.958 ( -7.670 0.941 0.000) 7.727 3.242 ( 5.444 5.772 0.000) 7.934 3.269 ( -0.852 0.257 0.000) 0.890 3.401 ( -0.214 -1.268 0.000) 1.286 3.548 ( 1.234 1.909 0.000) 2.273 3.568 ( 10.314 -1.210 0.000) 10.385 3.791 ( -4.031 -3.993 0.000) 5.674 3.978 ( 4.266 -2.566 0.000) 4.978 3.982 ( 0.920 7.949 0.000) 8.002 4.170 ( 1.565 1.127 0.000) 1.929 4.288 ( -8.734 4.901 0.000) 10.015 4.902 ( -7.858 -12.795 0.000) 15.015 5.597 ( 0.281 7.127 0.000) 7.132 5.666 ( 4.429 -2.364 0.000) 5.020 5.769 ( 3.696 -4.167 0.000) 5.570 6.078 ( -5.309 -1.935 0.000) 5.651 6.519 ( 4.691 7.452 0.000) 8.806 6.593 ( 0.608 2.732 0.000) 2.799 6.736 ( -2.319 0.837 0.000) 2.466 6.880 ( 2.694 -6.879 0.000) 7.387 7.159 ( -5.219 4.785 0.000) 7.080 7.410 ( 3.431 0.530 0.000) 3.471 7.595 ( -0.770 -0.559 0.000) 0.952 7.650 ( -10.574 -9.458 0.000) 14.187 8.040 ( 2.804 -1.293 0.000) 3.088 8.226 ( -0.686 0.320 0.000) 0.757 14.470 ( 3.634 -2.224 0.000) 4.260 14.920 ( -3.652 -0.928 0.000) 3.768 15.009 ( 0.793 -0.271 0.000) 0.838 15.097 ( -0.650 -1.548 0.000) 1.679 15.520 ( 4.068 -1.244 0.000) 4.254 15.746 ( 0.966 -1.257 0.000) 1.586 15.858 ( -1.008 -1.756 0.000) 2.025 16.072 ( -5.666 -0.239 0.000) 5.671 16.172 ( 0.852 0.455 0.000) 0.966 16.245 ( 2.001 5.376 0.000) 5.736 16.343 ( 1.310 -3.747 0.000) 3.969 16.726 ( -3.688 1.917 0.000) 4.156 18.727 ( 0.090 -0.075 0.000) 0.117 18.732 ( 0.058 -0.032 0.000) 0.066 18.780 ( 0.046 0.119 0.000) 0.128 18.799 ( -0.208 0.180 0.000) 0.275 19.725 ( 1.322 -0.072 0.000) 1.324 19.853 ( -0.786 0.333 0.000) 0.853 20.170 ( 0.732 0.016 0.000) 0.733 20.272 ( -0.910 0.029 0.000) 0.910 41.591 ( -0.753 0.036 0.000) 0.754 41.592 ( -0.687 0.126 0.000) 0.698 41.760 ( -0.013 -0.154 0.000) 0.155 41.778 ( -0.284 0.103 0.000) 0.302 42.306 ( 6.752 0.510 0.000) 6.771 42.549 ( 3.153 2.310 0.000) 3.909 42.768 ( 1.734 1.205 0.000) 2.112 42.935 ( 0.905 3.470 0.000) 3.586 42.987 ( -1.390 1.611 0.000) 2.128 43.029 ( -4.492 3.102 0.000) 5.459 43.108 ( -1.392 1.197 0.000) 1.835 43.135 ( -5.445 2.201 0.000) 5.873 43.209 ( 1.196 0.816 0.000) 1.448 43.341 ( -1.140 -0.832 0.000) 1.411 43.394 ( 5.644 1.207 0.000) 5.772 43.978 ( -4.702 2.014 0.000) 5.116 48.607 ( 2.584 -4.710 0.000) 5.372 48.899 ( -2.156 -3.337 0.000) 3.973 48.969 ( 2.148 -3.420 0.000) 4.039 49.152 ( -0.868 -4.370 0.000) 4.456 49.695 ( 3.810 -0.289 0.000) 3.821 49.987 ( 1.625 -0.634 0.000) 1.744 50.157 ( -3.611 -0.266 0.000) 3.621 50.263 ( -2.743 -1.626 0.000) 3.189 64.944 ( 2.711 -1.707 0.000) 3.203 65.157 ( -0.831 -5.092 0.000) 5.160 65.556 ( 2.310 0.062 0.000) 2.311 65.885 ( -3.081 -3.211 0.000) 4.451 88.429 ( -2.938 0.018 0.000) 2.938 88.451 ( -4.398 0.030 0.000) 4.398 88.493 ( 2.009 0.018 0.000) 2.009 88.580 ( 0.070 0.287 0.000) 0.296 88.616 ( 2.937 0.012 0.000) 2.937 88.635 ( 1.641 -0.937 0.000) 1.890 88.881 ( 1.104 -0.084 0.000) 1.108 88.934 ( -0.681 -1.984 0.000) 2.097 88.959 ( -1.666 0.015 0.000) 1.667 89.014 ( -0.165 0.167 0.000) 0.234 89.053 ( 3.937 -1.019 0.000) 4.067 89.080 ( 3.786 -0.803 0.000) 3.870 89.908 ( 7.407 -3.930 0.000) 8.385 91.063 ( -9.230 -0.902 0.000) 9.274 91.381 ( 1.100 -0.256 0.000) 1.130 91.751 ( -4.078 0.608 0.000) 4.123 ======================= Grid point 44 (27/112) ======================= q-point: ( 0.33 0.46 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.332 ( 8.450 -1.286 0.000) 8.547 2.641 ( -2.235 6.379 0.000) 6.759 2.680 ( 1.174 4.816 0.000) 4.957 2.739 ( -2.516 -0.386 0.000) 2.546 2.812 ( 0.715 -5.495 0.000) 5.541 2.819 ( 1.379 -7.705 0.000) 7.827 3.003 ( 18.203 4.144 0.000) 18.668 3.278 ( 2.070 3.936 0.000) 4.447 3.307 ( 0.442 7.385 0.000) 7.398 3.425 ( 2.344 -3.074 0.000) 3.866 3.611 ( 5.718 4.427 0.000) 7.232 3.702 ( -2.365 1.175 0.000) 2.641 3.760 ( 5.872 -1.402 0.000) 6.037 3.950 ( -7.791 10.573 0.000) 13.134 4.027 ( -0.034 -0.436 0.000) 0.437 4.094 ( -7.785 -2.570 0.000) 8.198 4.247 ( 7.846 -2.709 0.000) 8.300 4.704 ( -12.559 -9.185 0.000) 15.559 5.636 ( 4.392 5.594 0.000) 7.112 5.764 ( 5.404 -3.863 0.000) 6.643 5.837 ( 2.513 -5.143 0.000) 5.725 5.940 ( -8.857 1.170 0.000) 8.934 6.609 ( 1.047 3.643 0.000) 3.790 6.631 ( 4.244 9.289 0.000) 10.213 6.721 ( 3.896 0.891 0.000) 3.996 6.948 ( 4.763 -10.269 0.000) 11.320 7.049 ( -6.425 3.578 0.000) 7.354 7.366 ( -14.660 -6.424 0.000) 16.005 7.496 ( 1.552 -0.868 0.000) 1.779 7.574 ( -1.457 0.274 0.000) 1.483 8.100 ( 3.381 -1.955 0.000) 3.905 8.204 ( -1.737 -0.456 0.000) 1.796 14.565 ( 6.272 -1.920 0.000) 6.559 14.825 ( -6.286 -1.174 0.000) 6.395 15.029 ( 1.298 -0.512 0.000) 1.396 15.080 ( -1.163 -1.212 0.000) 1.680 15.628 ( 7.162 -0.901 0.000) 7.219 15.771 ( 1.617 -1.514 0.000) 2.216 15.833 ( -1.683 -1.456 0.000) 2.225 15.942 ( -7.906 -0.761 0.000) 7.943 16.195 ( 1.578 0.944 0.000) 1.839 16.255 ( -0.835 3.855 0.000) 3.945 16.402 ( 4.922 -2.141 0.000) 5.368 16.632 ( -6.006 1.132 0.000) 6.111 18.729 ( 0.149 -0.058 0.000) 0.160 18.733 ( -0.009 -0.041 0.000) 0.042 18.782 ( 0.187 0.155 0.000) 0.243 18.794 ( -0.341 0.185 0.000) 0.388 19.757 ( 2.052 0.110 0.000) 2.055 19.831 ( -1.523 0.343 0.000) 1.561 20.190 ( 1.334 -0.010 0.000) 1.334 20.249 ( -1.511 0.005 0.000) 1.511 41.576 ( -0.689 0.104 0.000) 0.696 41.578 ( -0.726 0.145 0.000) 0.740 41.761 ( 0.106 -0.080 0.000) 0.133 41.771 ( -0.393 0.069 0.000) 0.399 42.477 ( 10.802 0.963 0.000) 10.845 42.628 ( 4.719 2.390 0.000) 5.290 42.812 ( 2.819 1.228 0.000) 3.075 42.922 ( -3.361 2.642 0.000) 4.275 42.930 ( -5.597 2.668 0.000) 6.200 42.982 ( 0.813 3.148 0.000) 3.251 42.997 ( -7.529 0.346 0.000) 7.537 43.073 ( -2.267 1.780 0.000) 2.882 43.238 ( 1.864 0.560 0.000) 1.946 43.312 ( -1.792 -0.205 0.000) 1.804 43.527 ( 8.256 1.343 0.000) 8.364 43.856 ( -7.930 1.809 0.000) 8.134 48.674 ( 4.267 -4.397 0.000) 6.127 48.841 ( -3.849 -3.606 0.000) 5.275 49.022 ( 3.194 -3.575 0.000) 4.794 49.126 ( -1.893 -4.121 0.000) 4.535 49.795 ( 6.527 -0.287 0.000) 6.533 50.033 ( 3.266 -0.867 0.000) 3.379 50.061 ( -6.326 -0.279 0.000) 6.332 50.193 ( -4.405 -1.433 0.000) 4.632 65.009 ( 3.906 -2.410 0.000) 4.590 65.131 ( -2.031 -4.261 0.000) 4.720 65.618 ( 4.206 -0.938 0.000) 4.309 65.807 ( -4.976 -2.760 0.000) 5.690 88.378 ( -2.146 -0.117 0.000) 2.149 88.383 ( -2.614 -0.066 0.000) 2.615 88.533 ( 1.955 0.655 0.000) 2.062 88.576 ( -0.460 0.854 0.000) 0.971 88.655 ( 1.265 0.174 0.000) 1.277 88.660 ( 0.873 -0.927 0.000) 1.274 88.906 ( 1.297 0.136 0.000) 1.304 88.938 ( -0.772 -0.960 0.000) 1.232 88.939 ( 1.258 -3.139 0.000) 3.382 89.004 ( -1.071 -0.109 0.000) 1.077 89.125 ( 3.250 -1.156 0.000) 3.449 89.143 ( 2.462 -1.122 0.000) 2.706 90.120 ( 15.021 -2.753 0.000) 15.271 90.807 ( -17.301 -1.061 0.000) 17.334 91.431 ( 4.123 0.108 0.000) 4.125 91.650 ( -6.311 0.635 0.000) 6.343 ======================= Grid point 45 (28/112) ======================= q-point: (-0.50 0.46 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 104 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.508 ( -9.589 1.391 0.000) 9.689 2.508 ( 9.589 1.391 0.000) 9.689 2.699 ( -0.077 1.898 0.000) 1.900 2.699 ( 0.078 1.898 0.000) 1.900 2.833 ( -0.049 -5.714 0.000) 5.715 2.833 ( 0.049 -5.715 0.000) 5.715 3.268 ( -3.036 7.823 0.000) 8.391 3.268 ( 3.037 7.823 0.000) 8.392 3.394 ( -7.862 -4.009 0.000) 8.825 3.394 ( 7.862 -4.009 0.000) 8.825 3.685 ( -0.196 9.921 0.000) 9.923 3.685 ( 0.197 9.921 0.000) 9.923 3.793 ( -0.004 -0.176 0.000) 0.176 3.793 ( 0.004 -0.176 0.000) 0.176 4.030 ( -0.424 -0.600 0.000) 0.734 4.030 ( 0.424 -0.600 0.000) 0.734 4.455 ( -10.701 -6.112 0.000) 12.323 4.455 ( 10.701 -6.112 0.000) 12.323 5.763 ( -3.523 3.354 0.000) 4.864 5.763 ( 3.523 3.354 0.000) 4.864 5.844 ( -0.284 -4.771 0.000) 4.779 5.844 ( 0.284 -4.771 0.000) 4.779 6.632 ( -0.474 5.198 0.000) 5.220 6.632 ( 0.474 5.198 0.000) 5.220 6.901 ( -8.174 5.666 0.000) 9.946 6.901 ( 8.174 5.666 0.000) 9.946 7.089 ( -11.567 -11.466 0.000) 16.287 7.089 ( 11.567 -11.466 0.000) 16.287 7.540 ( -1.632 0.739 0.000) 1.791 7.540 ( 1.632 0.739 0.000) 1.791 8.160 ( -2.521 -1.365 0.000) 2.867 8.160 ( 2.521 -1.365 0.000) 2.867 14.695 ( -6.361 -1.531 0.000) 6.542 14.695 ( 6.361 -1.531 0.000) 6.542 15.055 ( -0.476 -0.837 0.000) 0.963 15.055 ( 0.476 -0.837 0.000) 0.963 15.775 ( -6.893 -0.017 0.000) 6.893 15.775 ( 6.893 -0.017 0.000) 6.893 15.808 ( -1.935 -2.311 0.000) 3.014 15.808 ( 1.935 -2.311 0.000) 3.014 16.228 ( -0.693 1.914 0.000) 2.036 16.228 ( 0.693 1.914 0.000) 2.036 16.512 ( -4.893 -0.094 0.000) 4.894 16.512 ( 4.893 -0.094 0.000) 4.894 18.732 ( -0.061 -0.048 0.000) 0.077 18.732 ( 0.061 -0.048 0.000) 0.077 18.787 ( -0.330 0.180 0.000) 0.376 18.787 ( 0.330 0.180 0.000) 0.376 19.797 ( -2.041 0.273 0.000) 2.059 19.797 ( 2.041 0.273 0.000) 2.059 20.218 ( -1.623 -0.015 0.000) 1.623 20.218 ( 1.623 -0.015 0.000) 1.623 41.569 ( -0.050 0.146 0.000) 0.154 41.569 ( 0.050 0.146 0.000) 0.154 41.764 ( -0.124 0.004 0.000) 0.124 41.764 ( 0.124 0.004 0.000) 0.124 42.660 ( -4.991 1.758 0.000) 5.291 42.660 ( 4.991 1.758 0.000) 5.291 42.838 ( -0.191 3.953 0.000) 3.958 42.838 ( 0.191 3.953 0.000) 3.958 42.888 ( -1.939 -0.736 0.000) 2.074 42.888 ( 1.939 -0.736 0.000) 2.074 43.026 ( -2.271 2.534 0.000) 3.403 43.026 ( 2.271 2.534 0.000) 3.403 43.276 ( -2.039 0.239 0.000) 2.053 43.276 ( 2.039 0.239 0.000) 2.053 43.693 ( -9.071 1.555 0.000) 9.203 43.693 ( 9.071 1.555 0.000) 9.203 48.759 ( -4.490 -3.991 0.000) 6.007 48.759 ( 4.490 -3.991 0.000) 6.007 49.081 ( -2.676 -3.824 0.000) 4.667 49.081 ( 2.676 -3.824 0.000) 4.667 49.929 ( -7.406 -0.285 0.000) 7.412 49.929 ( 7.406 -0.285 0.000) 7.412 50.107 ( -4.441 -1.161 0.000) 4.590 50.107 ( 4.441 -1.161 0.000) 4.590 65.080 ( -3.372 -3.309 0.000) 4.724 65.080 ( 3.372 -3.309 0.000) 4.724 65.708 ( -4.988 -1.978 0.000) 5.366 65.708 ( 4.988 -1.978 0.000) 5.366 88.357 ( -0.011 -0.121 0.000) 0.121 88.357 ( 0.011 -0.121 0.000) 0.121 88.562 ( -0.235 1.140 0.000) 1.164 88.562 ( 0.235 1.140 0.000) 1.164 88.667 ( -0.012 -0.337 0.000) 0.337 88.667 ( 0.012 -0.337 0.000) 0.337 88.925 ( -0.070 -1.552 0.000) 1.553 88.925 ( 0.070 -1.552 0.000) 1.553 88.974 ( -0.495 -1.179 0.000) 1.279 88.974 ( 0.495 -1.179 0.000) 1.279 89.162 ( -0.062 -1.238 0.000) 1.239 89.162 ( 0.062 -1.238 0.000) 1.239 90.452 ( -16.894 -1.638 0.000) 16.973 90.452 ( 16.894 -1.638 0.000) 16.973 91.530 ( -2.981 0.479 0.000) 3.019 91.530 ( 2.981 0.479 0.000) 3.019 ======================= Grid point 91 (29/112) ======================= q-point: ( 0.00 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.585 ( 0.000 0.000 29.270) 29.270 0.642 ( 0.000 0.000 31.886) 31.886 1.149 ( 0.000 0.000 54.914) 54.914 2.319 ( 0.000 0.000 4.893) 4.893 2.392 ( 0.000 0.000 -1.928) 1.928 2.571 ( 0.000 0.000 -15.817) 15.817 2.630 ( 0.000 0.000 2.375) 2.375 2.825 ( 0.000 0.000 2.341) 2.341 2.845 ( 0.000 0.000 -1.311) 1.311 3.026 ( 0.000 0.000 0.216) 0.216 3.239 ( 0.000 0.000 1.123) 1.123 3.379 ( 0.000 0.000 6.497) 6.497 3.447 ( 0.000 0.000 -6.611) 6.611 3.530 ( 0.000 0.000 -0.693) 0.693 3.895 ( 0.000 0.000 5.264) 5.264 4.018 ( 0.000 0.000 0.448) 0.448 4.354 ( 0.000 0.000 -6.787) 6.787 5.095 ( 0.000 0.000 9.567) 9.567 5.292 ( 0.000 0.000 -23.760) 23.760 5.820 ( 0.000 0.000 6.103) 6.103 6.161 ( 0.000 0.000 5.835) 5.835 6.264 ( 0.000 0.000 -8.393) 8.393 6.624 ( 0.000 0.000 -8.376) 8.376 6.747 ( 0.000 0.000 -7.828) 7.828 6.794 ( 0.000 0.000 4.241) 4.241 7.205 ( 0.000 0.000 6.321) 6.321 7.349 ( 0.000 0.000 3.160) 3.160 7.503 ( 0.000 0.000 7.318) 7.318 7.961 ( 0.000 0.000 1.840) 1.840 8.107 ( 0.000 0.000 2.069) 2.069 8.324 ( 0.000 0.000 -2.925) 2.925 9.079 ( 0.000 0.000 -6.212) 6.212 15.039 ( 0.000 0.000 1.409) 1.409 15.276 ( 0.000 0.000 -2.427) 2.427 15.306 ( 0.000 0.000 2.684) 2.684 15.696 ( 0.000 0.000 -3.466) 3.466 15.890 ( 0.000 0.000 0.794) 0.794 15.955 ( 0.000 0.000 1.851) 1.851 16.025 ( 0.000 0.000 -1.917) 1.917 16.069 ( 0.000 0.000 1.220) 1.220 16.135 ( 0.000 0.000 0.638) 0.638 16.165 ( 0.000 0.000 -1.453) 1.453 16.206 ( 0.000 0.000 2.178) 2.178 16.527 ( 0.000 0.000 -2.698) 2.698 18.696 ( 0.000 0.000 0.164) 0.164 18.703 ( 0.000 0.000 0.109) 0.109 18.732 ( 0.000 0.000 0.206) 0.206 18.746 ( 0.000 0.000 -0.068) 0.068 19.769 ( 0.000 0.000 0.093) 0.093 19.778 ( 0.000 0.000 -0.052) 0.052 20.195 ( 0.000 0.000 0.153) 0.153 20.214 ( 0.000 0.000 -0.120) 0.120 41.600 ( 0.000 0.000 -0.554) 0.554 41.605 ( 0.000 0.000 -1.276) 1.276 41.770 ( 0.000 0.000 -0.383) 0.383 41.771 ( 0.000 0.000 -0.367) 0.367 41.820 ( 0.000 0.000 -0.246) 0.246 41.835 ( 0.000 0.000 -0.762) 0.762 42.048 ( 0.000 0.000 6.371) 6.371 42.139 ( 0.000 0.000 2.295) 2.295 42.296 ( 0.000 0.000 -0.463) 0.463 42.632 ( 0.000 0.000 1.152) 1.152 42.812 ( 0.000 0.000 -4.882) 4.882 42.825 ( 0.000 0.000 0.792) 0.792 42.953 ( 0.000 0.000 -1.940) 1.940 42.977 ( 0.000 0.000 -1.479) 1.479 43.143 ( 0.000 0.000 2.937) 2.937 43.471 ( 0.000 0.000 -3.052) 3.052 49.660 ( 0.000 0.000 2.575) 2.575 49.818 ( 0.000 0.000 4.945) 4.945 49.893 ( 0.000 0.000 -0.553) 0.553 50.163 ( 0.000 0.000 -0.370) 0.370 50.219 ( 0.000 0.000 -1.661) 1.661 50.396 ( 0.000 0.000 -3.901) 3.901 50.523 ( 0.000 0.000 2.320) 2.320 50.835 ( 0.000 0.000 -2.487) 2.487 65.526 ( 0.000 0.000 10.460) 10.460 66.636 ( 0.000 0.000 2.808) 2.808 66.900 ( 0.000 0.000 -1.327) 1.327 67.028 ( 0.000 0.000 -12.731) 12.731 88.420 ( 0.000 0.000 -1.284) 1.284 88.463 ( 0.000 0.000 -2.848) 2.848 88.542 ( 0.000 0.000 1.250) 1.250 88.623 ( 0.000 0.000 0.325) 0.325 88.781 ( 0.000 0.000 0.036) 0.036 88.788 ( 0.000 0.000 1.368) 1.368 88.892 ( 0.000 0.000 -3.846) 3.846 88.930 ( 0.000 0.000 -5.072) 5.072 88.939 ( 0.000 0.000 0.466) 0.466 89.125 ( 0.000 0.000 -0.779) 0.779 89.154 ( 0.000 0.000 7.644) 7.644 89.205 ( 0.000 0.000 7.236) 7.236 91.151 ( 0.000 0.000 2.948) 2.948 91.624 ( 0.000 0.000 -2.917) 2.917 91.677 ( 0.000 0.000 1.353) 1.353 91.988 ( 0.000 0.000 -4.769) 4.769 ======================= Grid point 92 (30/112) ======================= q-point: ( 0.17 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.750 ( 10.931 0.000 26.993) 29.122 0.965 ( 23.337 0.000 23.479) 33.104 1.496 ( 36.899 0.000 34.649) 50.617 2.079 ( -16.076 0.000 5.774) 17.082 2.493 ( -10.152 0.000 3.163) 10.633 2.515 ( 4.922 0.000 -4.221) 6.484 2.681 ( 2.402 0.000 -13.575) 13.786 2.753 ( -2.697 0.000 -2.449) 3.643 2.890 ( 6.407 0.000 3.865) 7.482 3.114 ( 7.198 0.000 0.491) 7.215 3.201 ( -3.138 0.000 0.789) 3.235 3.358 ( -2.253 0.000 3.860) 4.470 3.450 ( 0.915 0.000 -6.779) 6.841 3.562 ( 2.627 0.000 -1.407) 2.980 3.996 ( 9.150 0.000 4.901) 10.380 4.055 ( 3.563 0.000 1.871) 4.025 4.343 ( -4.049 0.000 -2.480) 4.748 4.936 ( -17.096 0.000 10.466) 20.045 5.341 ( 5.202 0.000 -21.534) 22.154 5.841 ( 2.866 0.000 6.788) 7.369 6.024 ( -13.353 0.000 7.334) 15.234 6.229 ( -6.886 0.000 6.825) 9.695 6.329 ( 2.146 0.000 -0.644) 2.241 6.759 ( 1.023 0.000 -8.077) 8.142 6.939 ( 4.380 0.000 -16.059) 16.645 7.260 ( -5.601 0.000 -4.540) 7.210 7.488 ( 8.792 0.000 2.478) 9.134 7.505 ( -4.901 0.000 14.985) 15.766 7.973 ( 4.250 0.000 -2.379) 4.870 8.201 ( 8.044 0.000 4.350) 9.145 8.266 ( -3.266 0.000 -4.295) 5.396 8.957 ( -8.811 0.000 -0.633) 8.834 15.079 ( 4.113 0.000 0.852) 4.201 15.275 ( -0.061 0.000 -2.188) 2.188 15.296 ( -0.367 0.000 3.162) 3.183 15.650 ( -4.664 0.000 -2.873) 5.478 15.905 ( 1.421 0.000 0.585) 1.537 15.960 ( 0.586 0.000 1.598) 1.702 16.024 ( -0.349 0.000 -1.852) 1.885 16.080 ( 1.180 0.000 1.203) 1.685 16.111 ( -2.126 0.000 0.462) 2.176 16.184 ( 1.266 0.000 -0.100) 1.270 16.202 ( 0.254 0.000 0.956) 0.989 16.500 ( -2.840 0.000 -2.480) 3.770 18.697 ( 0.166 0.000 0.164) 0.233 18.703 ( 0.077 0.000 0.125) 0.147 18.731 ( -0.147 0.000 0.182) 0.234 18.737 ( -0.556 0.000 0.314) 0.638 19.782 ( 0.337 0.000 -0.061) 0.342 19.791 ( 1.139 0.000 -1.112) 1.592 20.179 ( -0.759 0.000 1.177) 1.401 20.210 ( -0.430 0.000 -0.085) 0.438 41.582 ( -1.161 0.000 -1.053) 1.567 41.596 ( -0.791 0.000 -1.414) 1.620 41.755 ( -0.927 0.000 -0.807) 1.229 41.758 ( -0.902 0.000 -0.480) 1.022 41.838 ( 1.654 0.000 0.297) 1.680 41.903 ( 6.363 0.000 -1.398) 6.515 42.030 ( -1.704 0.000 6.038) 6.274 42.158 ( 1.932 0.000 2.710) 3.328 42.331 ( 2.200 0.000 1.880) 2.894 42.426 ( -8.063 0.000 5.883) 9.981 42.759 ( -5.287 0.000 -4.243) 6.779 42.842 ( 1.407 0.000 0.303) 1.439 42.917 ( -3.369 0.000 -1.252) 3.594 43.116 ( -1.545 0.000 1.533) 2.176 43.173 ( 7.950 0.000 -6.757) 10.434 43.457 ( -1.490 0.000 -3.159) 3.493 49.678 ( 1.678 0.000 2.775) 3.243 49.811 ( -0.748 0.000 4.706) 4.765 49.928 ( 3.629 0.000 -0.751) 3.706 50.182 ( 2.065 0.000 -0.118) 2.069 50.263 ( 4.579 0.000 -1.738) 4.898 50.363 ( -3.401 0.000 -3.704) 5.029 50.496 ( -2.824 0.000 2.219) 3.592 50.795 ( -4.074 0.000 -2.479) 4.769 65.568 ( 5.898 0.000 12.618) 13.928 66.547 ( -9.129 0.000 3.218) 9.680 67.043 ( 7.469 0.000 -11.178) 13.444 67.047 ( 1.839 0.000 -12.055) 12.195 88.416 ( -0.407 0.000 -0.264) 0.485 88.505 ( 1.895 0.000 -3.853) 4.294 88.519 ( -1.955 0.000 -0.670) 2.066 88.538 ( -5.761 0.000 0.422) 5.776 88.735 ( -0.801 0.000 -1.150) 1.401 88.771 ( -1.277 0.000 0.381) 1.333 88.921 ( -0.268 0.000 0.325) 0.422 88.986 ( -2.674 0.000 -0.949) 2.837 89.000 ( 4.805 0.000 -2.870) 5.597 89.080 ( 5.992 0.000 -0.157) 5.994 89.229 ( 3.403 0.000 5.009) 6.055 89.238 ( 3.125 0.000 6.891) 7.567 91.178 ( 2.109 0.000 3.404) 4.005 91.588 ( -3.860 0.000 -2.149) 4.418 91.704 ( 2.486 0.000 -0.131) 2.490 91.959 ( -2.818 0.000 -4.662) 5.447 ======================= Grid point 93 (31/112) ======================= q-point: ( 0.33 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.022 ( 17.121 0.000 19.530) 25.973 1.367 ( 20.685 0.000 23.296) 31.154 1.740 ( -17.234 0.000 7.213) 18.682 2.199 ( -19.574 0.000 9.874) 21.923 2.294 ( 36.421 0.000 8.397) 37.376 2.601 ( 7.905 0.000 -4.002) 8.860 2.620 ( -3.786 0.000 -11.297) 11.915 2.844 ( 5.431 0.000 -3.388) 6.401 2.994 ( 2.526 0.000 0.321) 2.547 3.205 ( 6.150 0.000 2.498) 6.637 3.220 ( -1.238 0.000 -3.639) 3.844 3.349 ( 5.603 0.000 -0.043) 5.603 3.484 ( 2.443 0.000 -7.432) 7.823 3.596 ( 0.377 0.000 -4.217) 4.234 4.123 ( 2.013 0.000 7.171) 7.448 4.142 ( 0.019 0.000 4.008) 4.008 4.209 ( -4.007 0.000 7.024) 8.087 4.497 ( -26.113 0.000 12.070) 28.767 5.478 ( 8.862 0.000 -16.468) 18.701 5.818 ( -8.970 0.000 -1.506) 9.095 5.929 ( 5.918 0.000 7.478) 9.537 6.134 ( -4.508 0.000 7.532) 8.779 6.441 ( 8.628 0.000 -5.193) 10.070 6.759 ( -2.390 0.000 -9.271) 9.574 7.026 ( 5.145 0.000 -11.975) 13.034 7.195 ( -0.594 0.000 -7.810) 7.833 7.327 ( -11.156 0.000 12.238) 16.559 7.450 ( -8.701 0.000 6.191) 10.679 8.095 ( 6.783 0.000 1.340) 6.914 8.237 ( -0.939 0.000 -3.135) 3.273 8.384 ( 11.069 0.000 3.077) 11.489 8.789 ( -9.395 0.000 0.265) 9.399 15.181 ( 6.135 0.000 -0.902) 6.201 15.273 ( -0.303 0.000 -1.677) 1.705 15.303 ( 1.355 0.000 2.925) 3.224 15.531 ( -7.598 0.000 -1.387) 7.724 15.938 ( 2.041 0.000 0.147) 2.046 15.979 ( 1.479 0.000 1.138) 1.866 16.008 ( -1.322 0.000 -1.240) 1.812 16.065 ( -2.646 0.000 0.726) 2.743 16.110 ( 1.866 0.000 1.149) 2.191 16.177 ( -1.286 0.000 1.377) 1.884 16.249 ( 3.870 0.000 -1.183) 4.047 16.427 ( -4.650 0.000 -1.969) 5.050 18.701 ( 0.257 0.000 0.174) 0.310 18.705 ( 0.100 0.000 0.147) 0.178 18.728 ( -0.193 0.000 0.124) 0.229 18.729 ( -0.334 0.000 0.182) 0.381 19.790 ( 0.478 0.000 -0.114) 0.491 19.801 ( 0.092 0.000 -0.677) 0.683 20.175 ( 0.290 0.000 0.741) 0.796 20.199 ( -0.696 0.000 0.040) 0.697 41.568 ( -0.379 0.000 -2.038) 2.073 41.579 ( -0.879 0.000 -1.786) 1.990 41.742 ( -0.504 0.000 -1.334) 1.426 41.743 ( -0.568 0.000 -0.923) 1.084 41.879 ( 2.570 0.000 1.743) 3.105 41.983 ( -2.336 0.000 4.882) 5.412 42.058 ( 8.523 0.000 -2.565) 8.901 42.212 ( 4.130 0.000 3.993) 5.745 42.280 ( -4.504 0.000 5.011) 6.737 42.417 ( 0.852 0.000 -0.948) 1.274 42.648 ( -4.349 0.000 -2.967) 5.265 42.796 ( -6.202 0.000 -2.500) 6.686 42.915 ( 3.247 0.000 1.974) 3.800 43.062 ( -3.623 0.000 2.250) 4.265 43.285 ( 4.539 0.000 -5.358) 7.022 43.417 ( -2.649 0.000 -3.483) 4.376 49.717 ( 2.243 0.000 3.177) 3.889 49.791 ( -1.434 0.000 4.191) 4.429 50.022 ( 6.159 0.000 -1.387) 6.313 50.238 ( 3.526 0.000 0.281) 3.537 50.274 ( -5.491 0.000 -2.882) 6.201 50.380 ( 6.958 0.000 -1.942) 7.224 50.425 ( -4.014 0.000 1.897) 4.439 50.688 ( -7.103 0.000 -2.377) 7.490 65.747 ( 12.627 0.000 10.786) 16.607 66.315 ( -14.769 0.000 4.945) 15.575 67.088 ( 2.193 0.000 -10.927) 11.145 67.119 ( 1.484 0.000 -10.618) 10.722 88.405 ( -0.682 0.000 1.915) 2.032 88.443 ( -3.511 0.000 2.472) 4.294 88.492 ( -0.552 0.000 -4.074) 4.111 88.519 ( -0.776 0.000 -5.898) 5.949 88.733 ( 0.228 0.000 -1.207) 1.229 88.751 ( -0.803 0.000 -0.313) 0.862 88.918 ( -0.115 0.000 1.109) 1.115 88.933 ( -1.649 0.000 1.290) 2.094 89.094 ( 4.715 0.000 -1.614) 4.984 89.171 ( 2.024 0.000 -1.631) 2.599 89.292 ( 3.159 0.000 5.525) 6.365 89.300 ( 2.850 0.000 6.152) 6.780 91.235 ( 4.371 0.000 3.442) 5.563 91.483 ( -6.982 0.000 -0.267) 6.988 91.760 ( 3.370 0.000 -1.597) 3.729 91.895 ( -3.672 0.000 -4.132) 5.528 ======================= Grid point 94 (32/112) ======================= q-point: (-0.50 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.364 ( -12.828 0.000 15.783) 20.339 1.364 ( 12.828 0.000 15.783) 20.339 1.803 ( -21.314 0.000 12.181) 24.549 1.803 ( 21.314 0.000 12.181) 24.549 2.558 ( -3.431 0.000 -9.498) 10.099 2.558 ( 3.431 0.000 -9.498) 10.099 2.884 ( -3.997 0.000 4.639) 6.124 2.884 ( 3.997 0.000 4.639) 6.124 3.081 ( -9.953 0.000 -6.851) 12.083 3.081 ( 9.953 0.000 -6.851) 12.083 3.404 ( -4.723 0.000 -4.671) 6.643 3.404 ( 4.723 0.000 -4.671) 6.643 3.544 ( -2.232 0.000 -4.159) 4.720 3.544 ( 2.232 0.000 -4.159) 4.720 4.032 ( -0.144 0.000 19.667) 19.667 4.032 ( 0.144 0.000 19.667) 19.667 4.250 ( -1.827 0.000 2.560) 3.145 4.250 ( 1.827 0.000 2.560) 3.145 5.652 ( -8.196 0.000 -10.066) 12.981 5.652 ( 8.196 0.000 -10.066) 12.981 6.041 ( -4.811 0.000 7.537) 8.942 6.041 ( 4.811 0.000 7.537) 8.942 6.632 ( -9.835 0.000 -7.584) 12.419 6.632 ( 9.835 0.000 -7.584) 12.419 7.138 ( -2.854 0.000 -5.456) 6.158 7.138 ( 2.854 0.000 -5.456) 6.158 7.278 ( -4.104 0.000 4.301) 5.945 7.278 ( 4.104 0.000 4.301) 5.945 8.196 ( -2.137 0.000 1.090) 2.399 8.196 ( 2.137 0.000 1.090) 2.399 8.596 ( -7.825 0.000 1.339) 7.939 8.596 ( 7.825 0.000 1.339) 7.939 15.259 ( -0.477 0.000 -1.664) 1.731 15.259 ( 0.477 0.000 -1.664) 1.731 15.383 ( -6.270 0.000 1.135) 6.371 15.383 ( 6.270 0.000 1.135) 6.371 15.977 ( -1.382 0.000 -0.515) 1.475 15.977 ( 1.382 0.000 -0.515) 1.475 16.016 ( -2.311 0.000 0.888) 2.476 16.016 ( 2.311 0.000 0.888) 2.476 16.146 ( -1.114 0.000 1.149) 1.601 16.146 ( 1.114 0.000 1.149) 1.601 16.334 ( -3.255 0.000 -1.477) 3.574 16.334 ( 3.255 0.000 -1.477) 3.574 18.706 ( -0.108 0.000 0.186) 0.215 18.706 ( 0.108 0.000 0.186) 0.215 18.725 ( -0.000 0.000 0.088) 0.088 18.725 ( 0.000 0.000 0.088) 0.088 19.798 ( -0.312 0.000 -0.285) 0.422 19.798 ( 0.312 0.000 -0.285) 0.422 20.185 ( -0.547 0.000 0.297) 0.622 20.185 ( 0.547 0.000 0.297) 0.622 41.567 ( -0.148 0.000 -2.125) 2.130 41.567 ( 0.148 0.000 -2.125) 2.130 41.737 ( -0.003 0.000 -1.318) 1.318 41.737 ( 0.003 0.000 -1.318) 1.318 41.931 ( -2.625 0.000 3.520) 4.391 41.931 ( 2.625 0.000 3.520) 4.391 42.194 ( -5.279 0.000 -0.171) 5.281 42.194 ( 5.279 0.000 -0.171) 5.281 42.331 ( -7.874 0.000 2.085) 8.146 42.331 ( 7.874 0.000 2.085) 8.146 42.675 ( -5.710 0.000 -2.372) 6.183 42.675 ( 5.710 0.000 -2.372) 6.183 42.987 ( -4.121 0.000 2.103) 4.626 42.987 ( 4.121 0.000 2.103) 4.626 43.359 ( -3.472 0.000 -4.104) 5.375 43.359 ( 3.472 0.000 -4.104) 5.375 49.758 ( -1.758 0.000 3.629) 4.032 49.758 ( 1.758 0.000 3.629) 4.032 50.149 ( -6.878 0.000 -2.285) 7.248 50.149 ( 6.878 0.000 -2.285) 7.248 50.327 ( -5.006 0.000 1.231) 5.155 50.327 ( 5.006 0.000 1.231) 5.155 50.538 ( -8.447 0.000 -2.096) 8.703 50.538 ( 8.447 0.000 -2.096) 8.703 66.021 ( -15.805 0.000 7.769) 17.611 66.021 ( 15.805 0.000 7.769) 17.611 67.120 ( -0.111 0.000 -10.224) 10.225 67.120 ( 0.111 0.000 -10.224) 10.225 88.403 ( -0.132 0.000 2.433) 2.437 88.403 ( 0.132 0.000 2.433) 2.437 88.498 ( -0.595 0.000 -5.328) 5.361 88.498 ( 0.595 0.000 -5.328) 5.361 88.739 ( -0.230 0.000 -0.758) 0.792 88.739 ( 0.230 0.000 -0.758) 0.792 88.918 ( -0.011 0.000 1.153) 1.153 88.918 ( 0.011 0.000 1.153) 1.153 89.164 ( -1.271 0.000 -1.037) 1.640 89.164 ( 1.271 0.000 -1.037) 1.640 89.327 ( -0.027 0.000 5.564) 5.564 89.327 ( 0.027 0.000 5.564) 5.564 91.345 ( -5.066 0.000 1.871) 5.401 91.345 ( 5.066 0.000 1.871) 5.401 91.826 ( -0.663 0.000 -2.998) 3.071 91.826 ( 0.663 0.000 -2.998) 3.071 ======================= Grid point 98 (33/112) ======================= q-point: ( 0.00 0.08 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.729 ( 0.000 12.837 23.976) 27.197 0.938 ( 0.000 23.689 19.243) 30.520 1.438 ( 0.000 24.415 39.813) 46.703 2.397 ( 0.000 6.697 0.210) 6.701 2.408 ( 0.000 1.746 -1.802) 2.509 2.589 ( 0.000 1.912 -10.102) 10.282 2.664 ( 0.000 3.062 -0.209) 3.069 2.849 ( 0.000 2.367 3.578) 4.290 2.876 ( 0.000 2.227 -0.764) 2.355 3.058 ( 0.000 3.147 0.915) 3.278 3.160 ( 0.000 -2.660 3.815) 4.651 3.405 ( 0.000 -3.508 -5.199) 6.272 3.490 ( 0.000 6.281 -1.900) 6.562 3.603 ( 0.000 7.281 2.881) 7.830 3.821 ( 0.000 -6.350 5.297) 8.269 3.988 ( 0.000 -3.074 0.869) 3.195 4.313 ( 0.000 -3.535 -5.364) 6.424 5.171 ( 0.000 7.004 8.607) 11.097 5.353 ( 0.000 2.509 -25.163) 25.287 5.833 ( 0.000 1.197 5.726) 5.850 6.129 ( 0.000 -3.574 9.934) 10.557 6.239 ( 0.000 -2.480 -7.409) 7.813 6.348 ( 0.000 -4.644 11.669) 12.559 6.586 ( 0.000 -3.673 -6.296) 7.289 7.187 ( 0.000 -0.935 4.171) 4.275 7.259 ( 0.000 5.497 -9.085) 10.619 7.392 ( 0.000 3.118 2.242) 3.840 7.514 ( 0.000 4.809 1.156) 4.946 7.959 ( 0.000 -0.159 1.814) 1.821 7.984 ( 0.000 -10.517 1.239) 10.590 8.293 ( 0.000 -2.786 -2.690) 3.873 8.954 ( 0.000 -8.612 -6.733) 10.932 15.028 ( 0.000 -1.060 1.280) 1.662 15.237 ( 0.000 -3.686 -2.079) 4.232 15.275 ( 0.000 -2.474 3.086) 3.956 15.659 ( 0.000 -3.567 -3.307) 4.864 15.875 ( 0.000 -0.963 0.841) 1.278 15.974 ( 0.000 1.745 1.124) 2.076 16.003 ( 0.000 -3.503 1.866) 3.970 16.049 ( 0.000 -0.494 -1.709) 1.779 16.165 ( 0.000 -0.160 -1.266) 1.276 16.166 ( 0.000 2.556 -0.417) 2.590 16.217 ( 0.000 1.412 2.184) 2.600 16.495 ( 0.000 -3.045 -1.756) 3.516 18.705 ( 0.000 0.346 -0.095) 0.359 18.711 ( 0.000 0.743 -0.634) 0.977 18.737 ( 0.000 0.441 0.202) 0.485 18.749 ( 0.000 0.233 0.055) 0.240 19.766 ( 0.000 -0.285 0.138) 0.316 19.781 ( 0.000 0.277 -0.095) 0.293 20.171 ( 0.000 -0.800 1.189) 1.433 20.236 ( 0.000 0.833 -1.093) 1.374 41.599 ( 0.000 -0.100 -0.615) 0.623 41.604 ( 0.000 -0.184 -0.960) 0.978 41.765 ( 0.000 -0.338 -0.324) 0.468 41.779 ( 0.000 0.500 -0.090) 0.508 41.855 ( 0.000 3.455 -0.220) 3.462 41.888 ( 0.000 4.929 -0.942) 5.018 42.129 ( 0.000 6.937 2.969) 7.546 42.149 ( 0.000 1.004 2.526) 2.718 42.322 ( 0.000 2.497 -0.544) 2.556 42.558 ( 0.000 -2.718 9.688) 10.062 42.822 ( 0.000 1.140 -4.980) 5.108 42.850 ( 0.000 2.315 0.750) 2.433 42.956 ( 0.000 0.402 -1.069) 1.142 42.995 ( 0.000 1.758 -1.438) 2.271 43.191 ( 0.000 4.386 2.070) 4.850 43.479 ( 0.000 0.803 -2.850) 2.961 49.643 ( 0.000 -1.830 2.543) 3.133 49.786 ( 0.000 -3.252 4.692) 5.709 49.861 ( 0.000 -3.331 -0.449) 3.361 50.099 ( 0.000 -6.006 -0.206) 6.010 50.186 ( 0.000 -2.918 -1.884) 3.473 50.338 ( 0.000 -5.609 -3.753) 6.749 50.494 ( 0.000 -2.857 2.094) 3.542 50.797 ( 0.000 -3.599 -2.454) 4.356 65.491 ( 0.000 -3.347 9.935) 10.484 65.966 ( 0.000 -28.155 32.698) 43.149 66.912 ( 0.000 -11.061 -11.986) 16.310 67.021 ( 0.000 -3.735 -8.414) 9.206 88.418 ( 0.000 -0.145 -1.340) 1.348 88.465 ( 0.000 0.189 -2.749) 2.755 88.543 ( 0.000 0.043 1.264) 1.264 88.626 ( 0.000 -0.866 1.395) 1.642 88.626 ( 0.000 -3.251 4.050) 5.194 88.894 ( 0.000 0.133 -3.710) 3.712 88.923 ( 0.000 -1.508 1.488) 2.118 88.934 ( 0.000 0.302 -4.920) 4.930 89.018 ( 0.000 8.136 -3.624) 8.907 89.097 ( 0.000 -2.433 -2.616) 3.573 89.147 ( 0.000 -0.646 7.375) 7.403 89.201 ( 0.000 -0.443 6.977) 6.991 91.025 ( 0.000 -14.921 -9.289) 17.576 91.081 ( 0.000 -8.787 -3.865) 9.599 91.778 ( 0.000 -1.706 3.997) 4.346 92.342 ( 0.000 8.455 7.703) 11.438 ======================= Grid point 99 (34/112) ======================= q-point: ( 0.17 0.08 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.999 ( 6.590 21.090 15.827) 27.179 1.114 ( 25.844 11.915 14.768) 32.062 1.663 ( 26.439 15.684 32.632) 44.832 2.150 ( -15.485 6.620 4.517) 17.436 2.503 ( -2.934 2.022 -2.979) 4.645 2.584 ( -1.869 5.358 -0.733) 5.722 2.691 ( 3.745 0.539 -10.238) 10.914 2.779 ( -4.756 2.336 -2.575) 5.892 2.926 ( 7.616 3.540 4.063) 9.330 3.104 ( 3.246 -1.926 3.879) 5.413 3.197 ( 3.869 3.854 0.957) 5.544 3.394 ( -0.363 -3.701 -7.554) 8.420 3.477 ( -1.522 7.485 -1.103) 7.718 3.636 ( 2.641 6.321 1.795) 7.082 3.924 ( 8.968 -6.213 4.281) 11.720 4.023 ( 3.688 -3.131 2.258) 5.339 4.280 ( -5.006 -4.981 -1.136) 7.153 5.021 ( -15.942 7.609 9.434) 20.026 5.381 ( 3.258 1.586 -21.032) 21.342 5.817 ( -1.929 -1.857 5.061) 5.726 6.035 ( -4.476 2.146 7.502) 8.995 6.251 ( -2.585 2.725 3.121) 4.883 6.309 ( 2.675 -1.536 0.250) 3.095 6.693 ( 6.479 -5.516 -11.472) 14.283 7.046 ( -8.331 5.147 -8.065) 12.686 7.245 ( -0.931 -1.288 -0.246) 1.608 7.478 ( -4.957 -1.941 13.716) 14.713 7.524 ( 3.295 2.355 1.075) 4.190 7.944 ( 3.229 -3.057 -4.696) 6.467 8.097 ( 8.016 -8.219 3.577) 12.025 8.256 ( -2.299 -1.318 -3.608) 4.477 8.874 ( -6.789 -6.746 -3.373) 10.147 15.063 ( 3.539 -1.572 0.637) 3.925 15.227 ( -0.674 -3.918 -1.655) 4.306 15.283 ( 0.740 -1.770 2.825) 3.414 15.615 ( -4.459 -3.361 -2.710) 6.207 15.886 ( 1.032 -1.141 0.763) 1.717 15.968 ( -0.476 1.010 0.404) 1.188 16.012 ( 0.800 -3.237 1.058) 3.499 16.060 ( 0.999 -0.139 -0.898) 1.351 16.150 ( -0.852 2.674 -0.196) 2.813 16.177 ( 0.191 -0.411 -0.253) 0.518 16.219 ( 0.530 1.802 1.153) 2.204 16.472 ( -2.369 -2.608 -1.386) 3.786 18.705 ( 0.073 0.380 -0.122) 0.405 18.709 ( -0.118 0.626 -0.254) 0.686 18.736 ( -0.156 0.437 0.195) 0.503 18.741 ( -0.532 0.377 0.296) 0.717 19.780 ( 0.880 -0.783 -0.414) 1.249 19.783 ( 0.236 0.109 -0.111) 0.283 20.170 ( 0.016 -0.361 1.014) 1.076 20.225 ( -0.891 0.892 -0.542) 1.373 41.580 ( -1.505 -0.108 -0.685) 1.657 41.594 ( -0.877 -0.304 -1.178) 1.500 41.750 ( -1.102 -0.204 -0.627) 1.284 41.767 ( -0.923 0.564 -0.271) 1.116 41.877 ( 1.950 3.658 0.291) 4.156 41.948 ( 6.028 4.431 -1.525) 7.635 42.101 ( -2.464 6.334 3.911) 7.841 42.172 ( 2.269 1.322 2.926) 3.931 42.359 ( 2.685 2.739 1.167) 4.009 42.443 ( -6.178 2.033 6.424) 9.142 42.769 ( -5.029 1.154 -3.925) 6.483 42.866 ( 0.979 2.170 -0.064) 2.382 42.923 ( -2.599 0.821 -0.317) 2.744 43.134 ( 7.004 -0.470 -3.959) 8.060 43.172 ( -0.559 3.151 1.475) 3.524 43.464 ( -1.543 0.759 -2.943) 3.409 49.658 ( 1.490 -2.063 2.692) 3.705 49.779 ( -0.665 -3.177 4.519) 5.564 49.894 ( 3.433 -3.499 -0.674) 4.948 50.121 ( 2.343 -5.744 0.030) 6.204 50.230 ( 4.489 -3.016 -1.927) 5.742 50.307 ( -3.205 -5.433 -3.547) 7.237 50.464 ( -3.040 -3.010 2.092) 4.762 50.756 ( -4.115 -3.615 -2.406) 5.983 65.551 ( 6.495 -1.638 11.014) 12.891 66.157 ( 10.563 -26.005 12.830) 30.862 66.910 ( -1.247 -10.841 -10.813) 15.362 67.005 ( 0.293 -7.242 -7.434) 10.382 88.415 ( -0.703 -0.264 -0.211) 0.780 88.486 ( -1.087 -1.303 -4.100) 4.438 88.514 ( -1.888 0.022 0.653) 1.997 88.548 ( -1.585 0.360 -0.097) 1.629 88.698 ( 2.659 -1.283 1.631) 3.373 88.834 ( -4.086 2.441 -2.022) 5.172 88.919 ( 0.101 -0.232 1.347) 1.371 88.978 ( -2.729 -1.212 -0.254) 2.997 88.989 ( 2.185 -1.123 -2.740) 3.680 89.109 ( 5.645 2.949 -2.500) 6.842 89.202 ( 2.784 -1.583 6.185) 6.965 89.266 ( 4.875 1.420 6.029) 7.883 91.088 ( 1.292 -7.965 -1.402) 8.190 91.170 ( 10.237 -17.626 -15.015) 25.316 91.737 ( -3.735 -1.754 4.598) 6.178 92.218 ( -10.031 8.716 8.996) 16.047 ======================= Grid point 100 (35/112) ======================= q-point: ( 0.33 0.08 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.172 ( 11.215 14.718 10.741) 21.395 1.512 ( 19.089 12.217 17.011) 28.337 1.848 ( -15.622 9.636 7.636) 19.880 2.251 ( -15.969 4.776 8.212) 18.582 2.314 ( 29.657 2.307 9.254) 31.153 2.616 ( 2.149 2.211 -6.250) 6.969 2.668 ( 1.574 3.665 -7.473) 8.471 2.844 ( 4.888 0.160 -3.000) 5.737 3.054 ( 3.447 5.221 0.569) 6.282 3.176 ( 6.523 -0.354 3.583) 7.450 3.283 ( 2.175 5.152 -3.671) 6.689 3.409 ( 1.428 -5.214 -9.667) 11.076 3.481 ( 5.144 11.163 -1.216) 12.351 3.673 ( 1.074 5.443 0.258) 5.554 4.046 ( -8.020 -5.555 9.640) 13.716 4.085 ( 6.001 -5.395 2.907) 8.577 4.164 ( 0.289 -4.001 3.601) 5.391 4.612 ( -25.083 9.456 13.155) 29.860 5.480 ( 6.839 -0.778 -14.086) 15.678 5.754 ( -4.457 -3.086 -2.002) 5.779 6.032 ( 2.882 6.934 3.635) 8.343 6.190 ( -3.326 5.246 6.503) 8.992 6.418 ( 8.301 -2.081 -4.206) 9.536 6.771 ( -0.840 -1.218 -10.746) 10.847 6.931 ( -2.124 -5.303 -12.891) 14.100 7.223 ( -2.079 0.150 2.771) 3.468 7.330 ( -6.906 0.750 7.864) 10.493 7.475 ( -6.778 1.792 6.312) 9.433 8.043 ( 5.544 -4.714 -0.749) 7.316 8.233 ( -0.707 -0.856 -0.704) 1.315 8.275 ( 10.152 -9.500 -0.964) 13.937 8.736 ( -7.624 -4.788 -0.241) 9.006 15.144 ( 3.977 -3.636 -1.458) 5.582 15.228 ( 1.459 -3.290 -1.679) 3.971 15.298 ( 0.836 -1.317 3.347) 3.692 15.504 ( -6.889 -2.595 -0.990) 7.428 15.909 ( 1.315 -1.496 0.279) 2.011 15.956 ( -0.851 -0.552 -0.334) 1.068 16.032 ( 1.308 -1.615 -0.214) 2.089 16.084 ( 1.451 0.736 -0.109) 1.631 16.132 ( -0.997 3.586 0.748) 3.797 16.167 ( -1.129 -1.344 1.232) 2.144 16.245 ( 2.012 0.532 -0.970) 2.296 16.415 ( -3.289 -1.091 -0.257) 3.475 18.707 ( 0.095 0.416 -0.076) 0.434 18.709 ( 0.095 0.354 -0.002) 0.366 18.732 ( -0.230 0.424 0.176) 0.513 18.733 ( -0.297 0.414 0.218) 0.554 19.787 ( 0.245 -0.274 -0.180) 0.409 19.791 ( 0.267 -0.769 -0.374) 0.896 20.175 ( 0.511 0.071 0.539) 0.746 20.207 ( -0.921 0.657 -0.110) 1.137 41.559 ( -0.618 -0.554 -1.446) 1.667 41.575 ( -0.939 -0.457 -1.469) 1.802 41.733 ( -0.617 -0.301 -1.091) 1.289 41.751 ( -0.633 0.463 -0.569) 0.969 41.923 ( 2.868 4.169 1.482) 5.273 42.044 ( -2.675 5.543 3.716) 7.190 42.095 ( 7.897 3.529 -2.532) 9.013 42.235 ( 4.702 2.201 4.049) 6.584 42.316 ( -4.636 3.430 4.816) 7.513 42.443 ( 1.183 2.529 -0.969) 2.955 42.663 ( -4.245 1.483 -2.696) 5.243 42.807 ( -6.031 1.075 -2.113) 6.481 42.942 ( 3.550 2.610 1.832) 4.772 43.100 ( -3.983 3.592 1.843) 5.671 43.274 ( 5.378 -0.770 -4.245) 6.894 43.422 ( -2.820 0.568 -3.212) 4.312 49.692 ( 1.922 -2.538 2.947) 4.338 49.762 ( -1.199 -2.923 4.131) 5.201 49.983 ( 5.829 -3.946 -1.337) 7.165 50.184 ( 3.947 -5.058 0.354) 6.426 50.224 ( -5.142 -4.979 -2.684) 7.645 50.345 ( 6.933 -3.210 -2.045) 7.909 50.388 ( -4.453 -3.490 1.855) 5.954 50.649 ( -7.068 -3.612 -2.325) 8.271 65.727 ( 11.815 -1.941 9.485) 15.275 66.183 ( -7.063 -12.084 4.868) 14.819 66.884 ( -0.572 -14.780 -10.842) 18.339 67.042 ( 2.377 -10.039 -5.908) 11.888 88.377 ( -2.692 -2.021 -0.453) 3.396 88.452 ( -0.805 0.720 0.795) 1.341 88.489 ( -0.779 -0.281 -0.953) 1.263 88.534 ( -1.280 0.943 -5.374) 5.604 88.733 ( 1.145 -0.092 1.090) 1.583 88.779 ( -1.663 1.733 -0.129) 2.405 88.896 ( -1.537 -0.192 -0.345) 1.587 88.948 ( 0.262 -0.297 1.484) 1.536 89.078 ( 4.487 -0.976 -2.983) 5.475 89.182 ( 1.686 1.236 -1.001) 2.318 89.269 ( 3.942 -1.290 6.061) 7.344 89.346 ( 3.283 2.971 6.573) 7.925 91.127 ( 2.959 -9.402 -2.809) 10.249 91.290 ( 1.492 -13.971 -11.745) 18.312 91.677 ( -1.609 -3.542 3.730) 5.389 92.052 ( -6.611 6.106 7.500) 11.715 ======================= Grid point 101 (36/112) ======================= q-point: (-0.50 0.08 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.335 ( 0.000 7.743 6.708) 10.244 1.641 ( 0.000 15.411 13.065) 20.204 1.862 ( -0.000 7.481 13.115) 15.099 1.906 ( 0.000 7.783 10.490) 13.061 2.567 ( -0.000 1.121 -7.889) 7.968 2.580 ( 0.000 2.044 -10.030) 10.236 2.867 ( -0.000 -0.449 2.792) 2.828 2.890 ( 0.000 0.101 6.030) 6.031 3.090 ( 0.000 2.245 -5.622) 6.054 3.202 ( -0.000 8.588 -4.943) 9.909 3.366 ( 0.000 1.290 -4.607) 4.784 3.418 ( 0.000 -5.309 -10.818) 12.050 3.592 ( 0.000 11.587 -0.586) 11.602 3.666 ( -0.000 6.261 0.942) 6.331 3.868 ( 0.000 -5.796 14.950) 16.034 4.189 ( 0.000 -5.180 2.486) 5.746 4.199 ( -0.000 -3.118 4.601) 5.558 4.264 ( 0.000 10.447 19.704) 22.302 5.583 ( 0.000 -4.245 -6.430) 7.705 5.680 ( -0.000 0.573 -10.852) 10.867 6.082 ( -0.000 5.027 -1.489) 5.243 6.142 ( 0.000 7.380 11.223) 13.432 6.582 ( -0.000 -3.408 -9.128) 9.743 6.654 ( 0.000 0.429 -2.961) 2.992 6.948 ( 0.000 -10.326 -14.146) 17.514 7.194 ( 0.000 -1.780 5.089) 5.392 7.267 ( 0.000 4.504 2.347) 5.079 7.388 ( 0.000 4.049 5.619) 6.926 8.105 ( 0.000 -6.048 -0.590) 6.076 8.222 ( 0.000 -0.212 2.636) 2.644 8.407 ( 0.000 -12.372 -4.097) 13.033 8.632 ( 0.000 -1.590 2.861) 3.273 15.175 ( 0.000 -5.392 -2.495) 5.942 15.270 ( 0.000 -1.779 -3.262) 3.715 15.320 ( 0.000 -3.436 3.136) 4.652 15.402 ( -0.000 -0.413 1.907) 1.951 15.930 ( -0.000 -1.270 -0.410) 1.334 15.940 ( 0.000 -1.798 -0.237) 1.814 16.049 ( 0.000 -0.409 -0.784) 0.884 16.101 ( 0.000 4.378 0.041) 4.378 16.122 ( 0.000 0.468 0.326) 0.570 16.149 ( -0.000 -1.407 2.609) 2.964 16.273 ( 0.000 -1.841 -2.489) 3.096 16.374 ( 0.000 1.039 1.229) 1.609 18.708 ( 0.000 0.295 -0.035) 0.297 18.710 ( -0.000 0.361 0.031) 0.362 18.729 ( 0.000 0.410 0.137) 0.432 18.731 ( 0.000 0.441 0.178) 0.475 19.790 ( -0.000 -0.602 -0.271) 0.660 19.793 ( 0.000 -0.527 -0.197) 0.563 20.185 ( 0.000 0.248 0.060) 0.255 20.194 ( -0.000 0.488 0.281) 0.563 41.554 ( -0.000 -0.710 -1.689) 1.832 41.565 ( 0.000 -0.551 -1.665) 1.754 41.727 ( 0.000 -0.354 -1.269) 1.318 41.745 ( 0.000 0.410 -0.692) 0.804 41.974 ( -0.000 4.726 3.135) 5.671 41.993 ( 0.000 4.859 2.536) 5.481 42.222 ( -0.000 2.881 0.725) 2.971 42.228 ( 0.000 3.153 -0.600) 3.210 42.350 ( -0.000 2.405 1.935) 3.087 42.373 ( 0.000 3.472 1.860) 3.939 42.688 ( 0.000 1.418 -2.186) 2.606 42.690 ( -0.000 1.392 -2.138) 2.551 43.017 ( 0.000 2.912 1.817) 3.432 43.022 ( -0.000 3.168 1.967) 3.729 43.357 ( 0.000 0.045 -3.695) 3.695 43.362 ( -0.000 0.163 -3.624) 3.627 49.719 ( 0.000 -3.303 2.989) 4.454 49.742 ( -0.000 -2.271 3.987) 4.589 50.094 ( -0.000 -4.933 -2.645) 5.598 50.113 ( 0.000 -4.036 -1.723) 4.389 50.277 ( -0.000 -4.400 1.053) 4.524 50.288 ( 0.000 -3.899 1.532) 4.189 50.495 ( -0.000 -3.737 -2.368) 4.424 50.506 ( 0.000 -3.246 -1.912) 3.767 65.965 ( 0.000 -4.950 5.788) 7.616 65.979 ( -0.000 -4.296 7.567) 8.701 66.882 ( 0.000 -16.635 -11.508) 20.227 67.067 ( 0.000 -10.003 -5.166) 11.259 88.348 ( 0.000 -2.521 -1.220) 2.801 88.444 ( 0.000 1.399 3.954) 4.194 88.490 ( 0.000 -0.139 -2.969) 2.973 88.511 ( 0.000 0.424 -5.972) 5.987 88.744 ( 0.000 0.102 1.505) 1.508 88.764 ( 0.000 1.493 0.322) 1.527 88.883 ( 0.000 0.144 -1.474) 1.481 88.952 ( 0.000 0.155 1.308) 1.317 89.128 ( 0.000 -1.085 -2.622) 2.838 89.192 ( -0.000 1.258 -0.293) 1.292 89.312 ( 0.000 -0.943 5.800) 5.876 89.378 ( 0.000 3.517 6.884) 7.730 91.174 ( 0.000 -11.981 -5.313) 13.106 91.275 ( 0.000 -9.132 -6.059) 10.959 91.670 ( 0.000 -5.607 1.381) 5.775 91.987 ( 0.000 4.737 6.549) 8.083 ======================= Grid point 105 (37/112) ======================= q-point: ( 0.00 0.15 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.059 ( 0.000 18.611 16.901) 25.140 1.460 ( 0.000 25.526 8.679) 26.961 1.975 ( 0.000 24.840 19.861) 31.804 2.458 ( 0.000 2.888 -3.125) 4.255 2.504 ( 0.000 1.508 -8.501) 8.634 2.684 ( 0.000 8.609 3.239) 9.198 2.745 ( 0.000 4.132 -5.122) 6.581 2.901 ( 0.000 0.298 -1.334) 1.367 2.921 ( 0.000 4.626 4.595) 6.520 3.164 ( 0.000 7.535 2.232) 7.858 3.216 ( 0.000 7.770 2.318) 8.108 3.335 ( 0.000 -1.991 -0.949) 2.206 3.610 ( 0.000 5.885 -5.419) 8.000 3.662 ( 0.000 -8.538 6.169) 10.533 3.785 ( 0.000 9.309 3.403) 9.912 3.900 ( 0.000 -5.161 2.059) 5.556 4.237 ( 0.000 -3.357 -2.921) 4.450 5.337 ( 0.000 -3.772 -17.287) 17.694 5.361 ( 0.000 11.060 6.849) 13.009 5.854 ( 0.000 0.258 3.812) 3.821 6.083 ( 0.000 -0.773 11.909) 11.934 6.167 ( 0.000 -4.389 -3.535) 5.635 6.406 ( 0.000 6.963 2.694) 7.466 6.489 ( 0.000 -5.180 -3.664) 6.345 7.138 ( 0.000 -11.562 -1.095) 11.613 7.175 ( 0.000 -0.645 1.712) 1.829 7.449 ( 0.000 2.185 -0.472) 2.235 7.574 ( 0.000 -5.422 13.107) 14.184 7.769 ( 0.000 -6.447 -12.456) 14.026 7.956 ( 0.000 -0.134 1.622) 1.627 8.224 ( 0.000 -3.502 -2.165) 4.117 8.774 ( 0.000 -9.316 -10.991) 14.408 14.988 ( 0.000 -3.325 1.017) 3.477 15.139 ( 0.000 -5.226 -1.355) 5.398 15.214 ( 0.000 -3.404 2.476) 4.209 15.556 ( 0.000 -6.231 -2.931) 6.886 15.858 ( 0.000 -1.704 0.495) 1.775 15.916 ( 0.000 -3.367 3.099) 4.576 16.018 ( 0.000 2.284 -0.508) 2.340 16.020 ( 0.000 -2.624 -1.173) 2.875 16.155 ( 0.000 -0.894 -1.332) 1.604 16.233 ( 0.000 3.770 -2.156) 4.343 16.269 ( 0.000 3.501 1.633) 3.863 16.412 ( 0.000 -4.568 0.943) 4.664 18.713 ( 0.000 0.454 -0.224) 0.506 18.723 ( 0.000 0.420 -0.760) 0.868 18.749 ( 0.000 0.668 0.157) 0.686 18.755 ( 0.000 0.344 0.279) 0.443 19.758 ( 0.000 -0.492 0.268) 0.560 19.790 ( 0.000 0.568 -0.223) 0.611 20.164 ( 0.000 -0.086 0.869) 0.873 20.248 ( 0.000 0.515 -1.005) 1.130 41.595 ( 0.000 -0.300 -0.595) 0.667 41.599 ( 0.000 -0.146 -0.397) 0.422 41.759 ( 0.000 -0.184 -0.265) 0.323 41.788 ( 0.000 0.376 0.479) 0.609 41.958 ( 0.000 6.491 -0.117) 6.492 42.028 ( 0.000 8.461 -1.585) 8.608 42.181 ( 0.000 2.323 3.274) 4.015 42.302 ( 0.000 9.669 1.052) 9.727 42.394 ( 0.000 4.402 -0.751) 4.466 42.578 ( 0.000 4.139 9.288) 10.169 42.859 ( 0.000 2.544 -4.381) 5.066 42.915 ( 0.000 3.969 0.637) 4.019 42.973 ( 0.000 1.305 0.079) 1.308 43.047 ( 0.000 3.185 -1.346) 3.458 43.300 ( 0.000 5.487 0.992) 5.576 43.512 ( 0.000 2.812 -2.465) 3.740 49.573 ( 0.000 -5.598 2.342) 6.068 49.682 ( 0.000 -6.970 4.123) 8.098 49.747 ( 0.000 -7.889 -0.359) 7.897 49.939 ( 0.000 -8.705 0.371) 8.713 50.117 ( 0.000 -3.458 -2.311) 4.159 50.168 ( 0.000 -10.895 -3.352) 11.399 50.416 ( 0.000 -4.405 1.935) 4.812 50.698 ( 0.000 -5.781 -2.319) 6.229 65.395 ( 0.000 -5.899 8.490) 10.338 65.637 ( 0.000 -7.729 20.822) 22.211 66.597 ( 0.000 -19.126 -10.010) 21.587 66.833 ( 0.000 -12.900 -6.796) 14.580 88.417 ( 0.000 0.143 -1.293) 1.301 88.468 ( 0.000 0.122 -2.528) 2.531 88.543 ( 0.000 0.002 1.211) 1.211 88.558 ( 0.000 -2.811 2.119) 3.520 88.629 ( 0.000 0.003 -0.086) 0.086 88.871 ( 0.000 -3.678 3.636) 5.172 88.897 ( 0.000 0.195 -3.315) 3.320 88.941 ( 0.000 0.282 -4.515) 4.524 89.041 ( 0.000 -2.343 -5.038) 5.556 89.124 ( 0.000 2.708 -0.012) 2.708 89.128 ( 0.000 -1.168 6.575) 6.678 89.185 ( 0.000 -1.190 6.242) 6.354 90.842 ( 0.000 -9.324 -7.687) 12.084 90.948 ( 0.000 -0.800 -22.225) 22.240 91.698 ( 0.000 -6.040 9.377) 11.153 92.329 ( 0.000 -6.459 19.657) 20.691 ======================= Grid point 106 (38/112) ======================= q-point: ( 0.17 0.15 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.383 ( 26.418 14.339 9.425) 31.501 1.490 ( 3.275 24.821 5.825) 25.705 2.047 ( 9.223 18.941 18.847) 28.267 2.325 ( -10.979 9.746 3.481) 15.088 2.573 ( -1.001 4.320 -8.767) 9.825 2.679 ( 5.661 -1.747 -2.811) 6.557 2.721 ( -2.872 7.611 -2.165) 8.418 2.845 ( -6.690 4.465 -2.013) 8.291 3.031 ( 9.875 6.016 5.269) 12.707 3.096 ( 1.218 1.869 3.640) 4.269 3.290 ( 1.397 -0.680 -2.765) 3.171 3.364 ( 3.091 6.582 -1.013) 7.342 3.619 ( 2.758 5.248 0.402) 5.942 3.773 ( 5.438 -1.615 2.743) 6.301 3.805 ( 4.702 4.478 1.934) 6.775 3.937 ( 3.670 -4.787 3.017) 6.745 4.182 ( -6.187 -3.897 -0.081) 7.313 5.217 ( -14.676 10.816 7.152) 19.584 5.358 ( 2.063 -3.340 -13.524) 14.082 5.784 ( -5.138 -1.651 1.344) 5.561 6.102 ( 2.737 3.467 5.049) 6.708 6.243 ( 5.717 -3.206 -0.394) 6.566 6.367 ( -2.330 5.862 2.575) 6.813 6.561 ( 5.045 -6.056 -9.155) 12.081 7.040 ( -6.218 -5.806 -1.981) 8.735 7.192 ( -1.604 -4.594 5.483) 7.330 7.457 ( -3.856 0.382 7.420) 8.371 7.541 ( 0.072 -1.756 3.574) 3.983 7.812 ( 4.304 -9.031 -9.859) 14.046 7.969 ( 1.660 -3.346 2.540) 4.517 8.219 ( -0.167 -2.007 -3.496) 4.035 8.716 ( -5.276 -8.595 -7.462) 12.545 15.007 ( 1.803 -4.297 0.096) 4.661 15.136 ( -0.016 -4.475 -1.770) 4.812 15.225 ( 0.945 -3.711 3.276) 5.040 15.520 ( -3.679 -5.723 -2.161) 7.138 15.874 ( 1.446 -0.767 0.435) 1.693 15.921 ( 0.727 -4.111 1.851) 4.567 15.994 ( -1.506 0.781 -0.704) 1.837 16.043 ( 1.470 -1.425 -1.229) 2.388 16.147 ( -0.990 -1.428 -0.645) 1.853 16.218 ( -1.268 2.267 -2.037) 3.302 16.288 ( 1.488 4.846 1.705) 5.348 16.404 ( -0.740 -3.465 1.492) 3.845 18.714 ( 0.087 0.455 -0.247) 0.525 18.721 ( -0.179 0.462 -0.573) 0.758 18.747 ( -0.158 0.668 0.165) 0.706 18.750 ( -0.369 0.477 0.301) 0.674 19.763 ( 0.482 -0.731 0.096) 0.881 19.788 ( -0.155 0.382 -0.215) 0.465 20.167 ( 0.403 0.040 0.702) 0.811 20.240 ( -0.828 0.610 -0.784) 1.294 41.579 ( -1.671 0.065 -0.388) 1.717 41.586 ( -0.972 -0.388 -0.684) 1.250 41.748 ( -0.927 0.037 -0.505) 1.056 41.778 ( -0.841 0.548 0.286) 1.044 41.982 ( 2.345 6.514 0.205) 6.926 42.077 ( 4.946 7.775 -1.976) 9.425 42.213 ( 3.214 2.984 3.476) 5.596 42.264 ( -3.180 9.248 2.095) 10.001 42.436 ( 3.558 4.601 -0.426) 5.832 42.519 ( -4.655 5.403 6.527) 9.668 42.810 ( -4.644 2.845 -3.278) 6.356 42.918 ( -1.775 2.532 -0.755) 3.183 42.961 ( 0.814 3.087 1.177) 3.403 43.137 ( 7.190 1.302 -2.228) 7.639 43.271 ( -2.891 5.355 1.144) 6.192 43.495 ( -1.781 2.587 -2.510) 4.021 49.582 ( 0.894 -5.945 2.353) 6.456 49.677 ( -0.501 -6.925 4.055) 8.040 49.777 ( 3.051 -8.058 -0.600) 8.637 49.969 ( 3.177 -8.207 0.548) 8.818 50.141 ( -2.609 -10.492 -3.138) 11.258 50.157 ( 3.963 -3.901 -2.288) 6.014 50.383 ( -3.391 -4.544 1.919) 5.986 50.658 ( -4.067 -5.692 -2.275) 7.356 65.498 ( 8.509 -4.082 6.487) 11.452 65.739 ( 9.565 -14.013 14.590) 22.376 66.600 ( -0.364 -18.890 -9.172) 21.002 66.786 ( -3.841 -13.256 -5.086) 14.709 88.405 ( -2.156 -0.593 -0.919) 2.418 88.470 ( -1.010 -0.213 -3.803) 3.941 88.508 ( -2.093 -0.860 1.746) 2.858 88.552 ( 0.971 0.224 -1.030) 1.433 88.674 ( 2.879 -1.248 1.740) 3.588 88.846 ( -3.111 -1.813 -0.789) 3.686 88.899 ( 0.942 -1.358 0.794) 1.834 88.958 ( -3.838 0.295 -0.272) 3.859 88.976 ( 3.606 -0.298 -4.575) 5.833 89.165 ( 2.556 -0.088 2.745) 3.752 89.167 ( 3.618 0.091 2.699) 4.515 89.284 ( 7.199 0.068 5.742) 9.209 90.873 ( 1.698 -12.302 -5.972) 13.780 90.986 ( 4.271 -1.975 -24.751) 25.195 91.653 ( -4.269 -6.399 10.250) 12.815 92.239 ( -8.299 -4.624 18.177) 20.510 ======================= Grid point 107 (39/112) ======================= q-point: ( 0.33 0.15 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.578 ( 5.596 23.124 0.925) 23.810 1.790 ( 15.795 13.889 6.736) 22.086 2.083 ( -10.128 12.294 4.803) 16.637 2.380 ( -1.507 7.563 4.189) 8.776 2.403 ( 6.414 6.322 8.617) 12.465 2.687 ( -0.838 4.202 -4.714) 6.370 2.749 ( 2.193 3.815 -4.206) 6.087 2.867 ( 6.204 2.959 -2.704) 7.387 3.140 ( 1.645 1.987 2.979) 3.941 3.231 ( 10.941 5.504 3.522) 12.744 3.302 ( 0.482 -4.644 -10.492) 11.484 3.418 ( 2.035 7.387 -2.185) 7.968 3.747 ( 10.756 8.951 4.163) 14.599 3.788 ( 0.008 8.654 2.990) 9.156 3.940 ( -1.602 -3.982 6.060) 7.426 3.970 ( -0.369 -3.668 3.153) 4.851 4.062 ( 0.578 -5.334 1.747) 5.642 4.835 ( -23.837 11.866 12.072) 29.236 5.426 ( 4.723 -4.162 -9.154) 11.110 5.704 ( -3.352 -2.536 -4.245) 5.974 6.169 ( 3.701 5.803 -1.218) 6.990 6.322 ( -1.527 6.246 3.533) 7.336 6.372 ( 7.214 -1.524 -1.145) 7.462 6.644 ( 3.390 -8.780 -12.629) 15.750 6.871 ( -11.386 -2.927 -5.591) 13.018 7.186 ( 1.353 -4.690 9.345) 10.543 7.341 ( -5.718 0.731 5.944) 8.280 7.505 ( -4.767 1.044 4.654) 6.743 7.907 ( 4.626 -8.987 -4.883) 11.225 8.036 ( 4.863 -11.098 0.517) 12.128 8.225 ( 0.713 -0.638 -5.622) 5.703 8.612 ( -5.046 -6.958 -1.369) 8.703 15.039 ( 1.141 -6.353 -2.250) 6.836 15.155 ( 2.222 -3.768 -2.552) 5.064 15.242 ( 0.728 -4.013 4.531) 6.096 15.433 ( -4.976 -4.163 0.133) 6.489 15.901 ( 1.325 0.728 -0.023) 1.512 15.949 ( 1.391 -4.119 -1.114) 4.488 15.966 ( -0.621 0.101 -0.097) 0.637 16.075 ( 1.673 -2.724 -2.202) 3.881 16.118 ( -1.740 -2.277 0.960) 3.022 16.186 ( -2.133 0.614 -1.645) 2.763 16.314 ( 1.182 5.770 2.078) 6.246 16.391 ( -0.490 -0.802 2.703) 2.861 18.716 ( 0.086 0.463 -0.311) 0.564 18.718 ( -0.035 0.459 -0.307) 0.553 18.743 ( -0.273 0.637 0.233) 0.731 18.744 ( -0.212 0.616 0.219) 0.687 19.772 ( 0.400 -0.828 -0.095) 0.925 19.784 ( -0.243 -0.083 -0.191) 0.320 20.179 ( 0.823 0.284 0.317) 0.927 20.221 ( -1.120 0.608 -0.396) 1.334 41.552 ( -0.988 -0.092 -0.727) 1.230 41.565 ( -1.081 -0.430 -0.835) 1.432 41.733 ( -0.629 0.201 -0.842) 1.070 41.763 ( -0.659 0.671 0.012) 0.941 42.039 ( 3.601 6.987 0.966) 7.920 42.192 ( -3.066 7.764 1.684) 8.516 42.195 ( 5.789 6.702 -1.358) 8.959 42.305 ( 6.339 4.917 3.628) 8.805 42.415 ( -5.060 6.075 4.176) 8.942 42.516 ( 2.205 4.506 -1.046) 5.124 42.710 ( -4.397 3.100 -2.075) 5.766 42.839 ( -5.604 2.046 -1.324) 6.111 43.015 ( 4.066 4.318 1.460) 6.108 43.194 ( -4.452 5.042 1.064) 6.810 43.270 ( 5.979 0.693 -2.524) 6.527 43.446 ( -3.327 2.008 -2.633) 4.694 49.602 ( 1.060 -6.675 2.320) 7.146 49.665 ( -0.737 -6.742 3.957) 7.853 49.856 ( 5.103 -8.573 -1.285) 10.059 50.051 ( 3.722 -7.488 0.112) 8.363 50.072 ( -2.907 -9.575 -1.678) 10.146 50.263 ( 6.551 -4.364 -2.237) 8.184 50.296 ( -5.325 -5.044 1.762) 7.543 50.553 ( -6.878 -5.471 -2.220) 9.065 65.670 ( 9.632 -3.682 5.989) 11.925 65.886 ( 3.413 -15.304 4.816) 16.403 66.551 ( -4.102 -17.470 -8.492) 19.853 66.751 ( 0.331 -16.940 -1.667) 17.025 88.342 ( -3.238 -1.206 -3.314) 4.787 88.461 ( -1.307 -0.688 2.438) 2.851 88.476 ( 0.137 -0.460 -1.769) 1.833 88.553 ( -1.352 1.115 -3.880) 4.257 88.714 ( 1.225 -1.539 2.540) 3.212 88.798 ( -1.525 -0.336 0.247) 1.581 88.911 ( 0.348 -1.482 -1.292) 1.996 88.933 ( 0.249 1.982 0.430) 2.043 89.069 ( 5.431 0.112 -3.106) 6.257 89.201 ( 1.664 -0.690 4.307) 4.669 89.245 ( 3.398 -0.269 2.377) 4.155 89.400 ( 4.694 1.790 7.247) 8.818 90.890 ( 0.524 -13.270 -9.316) 16.222 91.067 ( 2.908 -6.454 -21.766) 22.888 91.569 ( -3.678 -7.582 11.637) 14.368 92.080 ( -7.187 -2.760 14.821) 16.701 ======================= Grid point 108 (40/112) ======================= q-point: (-0.50 0.15 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.652 ( 0.000 21.279 -2.433) 21.417 1.930 ( -0.000 12.590 3.209) 12.992 2.092 ( -0.000 9.906 6.874) 12.058 2.104 ( 0.000 15.113 12.034) 19.318 2.608 ( -0.000 3.084 -5.623) 6.413 2.634 ( 0.000 2.906 -8.618) 9.095 2.870 ( -0.000 0.650 1.871) 1.981 2.909 ( 0.000 2.215 7.085) 7.424 3.149 ( 0.000 3.303 -3.592) 4.879 3.307 ( 0.000 -4.533 -13.624) 14.358 3.382 ( 0.000 7.224 1.811) 7.447 3.437 ( -0.000 4.814 -4.763) 6.772 3.745 ( 0.000 -0.914 14.931) 14.959 3.791 ( 0.000 5.594 7.260) 9.166 3.948 ( 0.000 15.401 -5.485) 16.349 4.066 ( -0.000 -4.250 2.281) 4.824 4.077 ( 0.000 -7.295 3.373) 8.037 4.507 ( -0.000 12.003 19.277) 22.708 5.488 ( 0.000 -4.947 -5.592) 7.466 5.665 ( -0.000 -2.320 -8.171) 8.494 6.214 ( 0.000 7.265 -6.271) 9.597 6.296 ( 0.000 6.321 7.223) 9.598 6.497 ( -0.000 -4.542 -5.904) 7.449 6.640 ( 0.000 -2.064 1.131) 2.353 6.740 ( -0.000 -8.992 -14.714) 17.244 7.209 ( 0.000 2.873 1.507) 3.244 7.282 ( 0.000 -4.734 9.416) 10.539 7.440 ( 0.000 2.064 6.579) 6.895 7.954 ( 0.000 -8.664 -2.717) 9.080 8.092 ( 0.000 -13.895 1.419) 13.967 8.237 ( 0.000 -1.336 -9.393) 9.488 8.556 ( 0.000 -5.240 2.422) 5.773 15.048 ( 0.000 -6.831 -3.277) 7.576 15.191 ( 0.000 -5.116 -4.553) 6.848 15.249 ( 0.000 -4.039 4.941) 6.382 15.372 ( -0.000 -2.377 2.938) 3.779 15.924 ( -0.000 0.335 -0.983) 1.038 15.932 ( 0.000 0.907 -0.931) 1.299 15.991 ( 0.000 -3.574 -1.451) 3.857 16.075 ( -0.000 -5.295 -0.535) 5.322 16.119 ( 0.000 -2.150 -0.582) 2.228 16.152 ( 0.000 0.762 -0.418) 0.870 16.327 ( 0.000 5.985 2.084) 6.337 16.387 ( 0.000 0.619 3.398) 3.454 18.716 ( 0.000 0.469 -0.333) 0.575 18.718 ( 0.000 0.419 -0.240) 0.483 18.741 ( 0.000 0.660 0.212) 0.693 18.742 ( 0.000 0.626 0.236) 0.669 19.777 ( 0.000 -0.528 -0.204) 0.566 19.780 ( -0.000 -0.588 -0.124) 0.601 20.194 ( 0.000 0.573 -0.173) 0.599 20.203 ( -0.000 0.387 0.068) 0.393 41.544 ( -0.000 -0.270 -0.990) 1.026 41.553 ( 0.000 -0.448 -0.869) 0.978 41.726 ( 0.000 0.237 -0.971) 1.000 41.757 ( 0.000 0.700 -0.094) 0.706 42.112 ( -0.000 8.494 2.502) 8.855 42.115 ( 0.000 6.905 1.158) 7.001 42.308 ( 0.000 5.373 1.763) 5.655 42.318 ( -0.000 5.459 -0.271) 5.465 42.428 ( -0.000 5.161 1.115) 5.280 42.471 ( 0.000 6.087 1.292) 6.223 42.729 ( -0.000 2.290 -1.715) 2.861 42.731 ( 0.000 2.664 -1.628) 3.122 43.097 ( 0.000 4.594 1.275) 4.767 43.107 ( -0.000 4.789 1.616) 5.054 43.369 ( 0.000 1.332 -2.777) 3.080 43.373 ( -0.000 1.175 -2.743) 2.984 49.614 ( 0.000 -7.204 2.188) 7.529 49.656 ( 0.000 -6.465 4.021) 7.614 49.945 ( -0.000 -9.609 -2.799) 10.008 49.981 ( 0.000 -8.858 -1.097) 8.925 50.164 ( -0.000 -6.108 0.997) 6.188 50.184 ( 0.000 -5.674 1.891) 5.981 50.400 ( -0.000 -5.234 -2.644) 5.864 50.419 ( 0.000 -4.867 -1.782) 5.183 65.827 ( 0.000 -8.358 2.962) 8.867 65.853 ( -0.000 -7.870 5.206) 9.437 66.506 ( 0.000 -18.845 -8.922) 20.850 66.761 ( 0.000 -18.435 -0.270) 18.437 88.309 ( 0.000 -1.194 -4.102) 4.272 88.443 ( 0.000 -1.828 2.081) 2.770 88.489 ( 0.000 0.016 -0.457) 0.458 88.529 ( 0.000 1.684 -4.175) 4.502 88.726 ( 0.000 -1.443 2.514) 2.899 88.782 ( 0.000 -0.020 1.270) 1.270 88.921 ( 0.000 -2.468 -0.355) 2.494 88.931 ( 0.000 3.413 -2.257) 4.092 89.129 ( 0.000 1.161 -1.844) 2.179 89.221 ( -0.000 1.108 1.424) 1.804 89.277 ( 0.000 -2.410 5.236) 5.764 89.446 ( 0.000 2.520 7.991) 8.379 90.896 ( 0.000 -14.416 -11.734) 18.588 91.088 ( 0.000 -7.012 -18.500) 19.784 91.535 ( 0.000 -8.606 11.509) 14.371 92.007 ( 0.000 -2.353 13.033) 13.244 ======================= Grid point 112 (41/112) ======================= q-point: ( 0.00 0.23 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.467 ( 0.000 21.041 11.750) 24.099 1.936 ( 0.000 20.326 3.358) 20.602 2.380 ( 0.000 14.873 9.017) 17.393 2.482 ( 0.000 -2.346 1.229) 2.648 2.513 ( 0.000 2.112 -5.685) 6.065 2.802 ( 0.000 1.857 -4.494) 4.863 2.896 ( 0.000 -0.251 -1.715) 1.733 2.914 ( 0.000 12.321 -4.808) 13.225 3.008 ( 0.000 2.545 1.356) 2.883 3.265 ( 0.000 1.778 -1.777) 2.514 3.411 ( 0.000 0.595 4.873) 4.909 3.418 ( 0.000 10.534 2.190) 10.760 3.568 ( 0.000 7.235 6.222) 9.543 3.727 ( 0.000 5.308 -3.538) 6.379 3.807 ( 0.000 -1.848 6.810) 7.056 3.954 ( 0.000 6.766 1.490) 6.928 4.195 ( 0.000 -0.431 -1.243) 1.315 5.226 ( 0.000 -6.266 -9.243) 11.167 5.602 ( 0.000 11.516 4.736) 12.452 5.813 ( 0.000 -4.471 -1.090) 4.601 6.066 ( 0.000 -1.540 9.670) 9.792 6.073 ( 0.000 -4.440 3.900) 5.910 6.406 ( 0.000 -2.286 -3.686) 4.338 6.575 ( 0.000 8.647 -1.770) 8.826 6.865 ( 0.000 -14.387 -2.581) 14.616 7.141 ( 0.000 -2.778 1.780) 3.299 7.319 ( 0.000 -14.693 9.985) 17.764 7.477 ( 0.000 0.446 -2.495) 2.535 7.723 ( 0.000 -1.332 -5.960) 6.107 7.957 ( 0.000 0.322 1.067) 1.114 8.169 ( 0.000 -1.650 -1.954) 2.557 8.562 ( 0.000 -11.666 -11.890) 16.657 14.876 ( 0.000 -7.490 1.360) 7.612 15.053 ( 0.000 -2.995 -1.315) 3.271 15.139 ( 0.000 -3.859 1.866) 4.287 15.416 ( 0.000 -7.241 -2.419) 7.634 15.761 ( 0.000 -6.066 1.252) 6.194 15.918 ( 0.000 0.498 0.582) 0.766 15.955 ( 0.000 -1.893 0.928) 2.108 16.056 ( 0.000 1.151 -2.043) 2.345 16.126 ( 0.000 -1.970 -2.169) 2.930 16.284 ( 0.000 -3.494 3.481) 4.932 16.307 ( 0.000 3.186 -2.762) 4.217 16.399 ( 0.000 5.093 1.572) 5.330 18.722 ( 0.000 0.413 -0.277) 0.497 18.728 ( 0.000 0.107 -0.596) 0.605 18.763 ( 0.000 0.440 0.291) 0.527 18.764 ( 0.000 0.783 0.054) 0.784 19.747 ( 0.000 -0.573 0.458) 0.734 19.804 ( 0.000 0.820 -0.422) 0.923 20.165 ( 0.000 0.116 0.735) 0.744 20.258 ( 0.000 0.457 -0.917) 1.025 41.590 ( 0.000 -0.135 -0.257) 0.290 41.598 ( 0.000 -0.041 -0.277) 0.280 41.758 ( 0.000 0.076 -0.194) 0.209 41.794 ( 0.000 0.123 0.777) 0.787 42.108 ( 0.000 7.690 -0.103) 7.690 42.181 ( 0.000 4.737 0.369) 4.751 42.287 ( 0.000 9.691 1.557) 9.815 42.495 ( 0.000 5.305 -0.979) 5.394 42.516 ( 0.000 11.066 0.608) 11.083 42.700 ( 0.000 7.284 6.306) 9.635 42.924 ( 0.000 3.718 -2.993) 4.773 43.004 ( 0.000 4.513 0.489) 4.539 43.007 ( 0.000 1.974 0.727) 2.104 43.122 ( 0.000 4.020 -1.272) 4.217 43.384 ( 0.000 2.468 0.911) 2.631 43.611 ( 0.000 6.799 -2.564) 7.267 49.386 ( 0.000 -12.723 1.945) 12.871 49.503 ( 0.000 -10.315 3.363) 10.849 49.543 ( 0.000 -11.790 -0.628) 11.807 49.791 ( 0.000 -5.113 1.315) 5.279 49.904 ( 0.000 -14.602 -2.793) 14.867 50.054 ( 0.000 -2.709 -2.514) 3.696 50.327 ( 0.000 -4.033 1.683) 4.370 50.571 ( 0.000 -6.380 -2.014) 6.690 65.259 ( 0.000 -7.070 6.469) 9.583 65.554 ( 0.000 -1.626 11.352) 11.468 66.164 ( 0.000 -22.429 -7.408) 23.621 66.539 ( 0.000 -15.096 -5.921) 16.216 88.424 ( 0.000 0.488 -1.083) 1.188 88.470 ( 0.000 0.061 -2.139) 2.140 88.508 ( 0.000 -1.962 -1.179) 2.289 88.542 ( 0.000 -0.124 1.054) 1.062 88.625 ( 0.000 -0.386 -0.284) 0.479 88.780 ( 0.000 -4.863 1.016) 4.968 88.900 ( 0.000 0.052 -2.696) 2.697 88.943 ( 0.000 -0.029 -3.911) 3.911 89.005 ( 0.000 -1.390 -4.153) 4.379 89.101 ( 0.000 -1.422 5.294) 5.481 89.143 ( 0.000 -0.804 0.648) 1.033 89.151 ( 0.000 -2.078 5.193) 5.593 90.614 ( 0.000 -11.662 -1.249) 11.729 91.017 ( 0.000 5.523 -24.120) 24.744 91.544 ( 0.000 -8.441 10.517) 13.485 92.155 ( 0.000 -9.512 18.775) 21.047 ======================= Grid point 113 (42/112) ======================= q-point: ( 0.17 0.23 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.701 ( 20.842 16.752 7.879) 27.877 1.961 ( 2.863 20.336 2.068) 20.640 2.367 ( -0.647 12.346 5.347) 13.470 2.502 ( -0.224 5.843 1.052) 5.941 2.619 ( 10.798 -1.963 -0.478) 10.986 2.682 ( -8.376 5.589 -3.776) 10.754 2.857 ( -1.880 5.680 -8.620) 10.493 2.958 ( 1.985 3.926 -0.099) 4.400 3.119 ( 5.680 3.644 1.119) 6.841 3.200 ( -3.770 5.828 2.951) 7.542 3.278 ( -2.085 1.773 1.432) 3.089 3.545 ( 0.446 7.700 1.083) 7.789 3.589 ( 6.197 -2.535 5.974) 8.973 3.820 ( 3.013 -3.669 2.792) 5.508 3.868 ( 9.655 10.039 1.667) 14.028 3.973 ( 2.198 6.576 1.612) 7.119 4.141 ( -5.683 0.234 0.439) 5.705 5.247 ( 2.175 -5.484 -8.524) 10.366 5.458 ( -14.582 9.997 6.182) 18.730 5.735 ( -5.674 -2.718 -2.362) 6.720 6.115 ( 4.239 -4.035 2.063) 6.205 6.192 ( 10.154 -0.522 7.157) 12.434 6.382 ( -1.621 -3.225 -5.870) 6.891 6.578 ( -0.764 6.608 -3.707) 7.615 6.848 ( -0.273 -11.837 1.035) 11.885 7.057 ( -7.214 -7.502 8.292) 13.307 7.419 ( 7.720 -9.088 1.861) 12.068 7.480 ( -1.105 0.943 0.306) 1.484 7.682 ( -2.734 -3.308 -6.239) 7.572 7.923 ( -3.496 -1.677 0.284) 3.888 8.185 ( 1.491 -1.151 -3.073) 3.604 8.522 ( -3.476 -10.376 -8.518) 13.867 14.883 ( 0.724 -7.451 0.324) 7.493 15.061 ( 0.737 -2.931 -2.080) 3.668 15.139 ( 0.061 -4.497 2.993) 5.402 15.392 ( -2.346 -6.552 -1.412) 7.101 15.783 ( 2.267 -5.909 0.858) 6.387 15.923 ( 0.517 1.148 0.061) 1.260 15.959 ( 0.426 -2.268 -0.014) 2.308 16.047 ( -0.920 1.095 -2.154) 2.586 16.110 ( -1.752 -2.259 -1.046) 3.044 16.225 ( -3.597 -1.793 -0.024) 4.019 16.359 ( 2.730 0.795 1.154) 3.069 16.410 ( 1.182 5.618 1.928) 6.056 18.723 ( 0.098 0.420 -0.302) 0.527 18.727 ( -0.096 0.162 -0.521) 0.554 18.760 ( -0.227 0.497 0.278) 0.613 18.762 ( -0.169 0.774 0.070) 0.795 19.750 ( 0.342 -0.570 0.344) 0.748 19.799 ( -0.505 0.683 -0.393) 0.936 20.170 ( 0.572 0.172 0.591) 0.840 20.251 ( -0.758 0.479 -0.808) 1.207 41.580 ( -1.028 -0.085 -0.307) 1.076 41.582 ( -1.368 0.147 -0.245) 1.398 41.751 ( -0.625 0.252 -0.347) 0.758 41.787 ( -0.586 0.270 0.651) 0.917 42.134 ( 2.581 7.879 0.060) 8.291 42.218 ( 3.707 4.805 0.379) 6.081 42.330 ( 4.395 9.433 1.347) 10.493 42.466 ( -3.046 9.875 1.269) 10.412 42.544 ( 3.030 6.160 -1.057) 6.946 42.655 ( -4.217 7.562 4.894) 9.946 42.883 ( -4.020 4.167 -2.260) 6.215 42.968 ( -3.132 2.424 0.012) 3.961 43.040 ( 2.681 4.236 0.932) 5.099 43.184 ( 5.648 3.168 -1.513) 6.650 43.357 ( -2.726 2.719 1.015) 3.982 43.585 ( -2.631 6.277 -2.499) 7.250 49.393 ( 0.669 -12.550 1.914) 12.712 49.497 ( -0.610 -10.484 3.398) 11.038 49.569 ( 2.742 -11.894 -0.821) 12.233 49.829 ( 3.853 -5.027 1.340) 6.474 49.882 ( -2.236 -14.337 -2.615) 14.744 50.087 ( 3.432 -3.080 -2.460) 5.227 50.293 ( -3.616 -4.081 1.681) 5.706 50.534 ( -3.792 -6.205 -2.000) 7.542 65.355 ( 8.995 -9.107 4.389) 13.532 65.579 ( 2.530 -3.292 9.452) 10.324 66.173 ( 0.768 -21.910 -6.288) 22.808 66.494 ( -4.409 -14.751 -4.565) 16.058 88.396 ( -3.205 -0.213 -2.240) 3.916 88.471 ( -0.271 -0.026 -2.570) 2.584 88.480 ( -2.568 -1.510 0.549) 3.029 88.560 ( 2.278 0.495 -0.729) 2.442 88.648 ( 1.812 -1.230 0.895) 2.366 88.771 ( -0.852 -4.295 -1.026) 4.497 88.889 ( -0.597 -0.174 -1.338) 1.475 88.969 ( 1.035 -0.042 -3.220) 3.382 88.977 ( 1.247 0.645 0.348) 1.446 89.125 ( 1.454 -2.074 4.826) 5.450 89.173 ( 4.050 -1.388 -0.195) 4.286 89.264 ( 8.057 -1.966 4.526) 9.448 90.620 ( 0.407 -11.997 -3.642) 12.544 91.020 ( 0.350 4.279 -23.954) 24.335 91.488 ( -5.431 -9.124 11.745) 15.833 92.095 ( -5.758 -8.380 17.571) 20.301 ======================= Grid point 114 (43/112) ======================= q-point: ( 0.33 0.23 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.033 ( 6.279 18.203 0.646) 19.266 2.063 ( 11.393 13.794 1.400) 17.945 2.337 ( -2.567 12.908 -0.793) 13.184 2.531 ( -6.579 5.440 -3.191) 9.114 2.566 ( 6.354 10.768 6.971) 14.315 2.751 ( 2.036 1.289 -0.578) 2.478 2.816 ( -1.208 3.605 -6.023) 7.123 3.006 ( 2.133 10.219 -0.359) 10.446 3.157 ( 4.840 -0.549 1.134) 5.002 3.237 ( -0.469 -0.870 -4.691) 4.794 3.325 ( 8.623 2.057 4.798) 10.081 3.553 ( 0.494 4.562 0.069) 4.589 3.716 ( 6.084 -3.538 6.996) 9.924 3.848 ( -0.850 -4.088 6.719) 7.910 3.952 ( -0.215 3.046 4.493) 5.433 3.996 ( -5.559 0.335 1.220) 5.701 4.152 ( 13.850 15.891 -0.296) 21.082 5.068 ( -23.383 9.630 6.764) 26.177 5.330 ( 4.306 -4.627 -6.057) 8.754 5.640 ( -4.175 -3.117 -4.299) 6.755 6.218 ( 6.430 -2.089 -1.053) 6.842 6.346 ( 1.709 -2.241 -4.160) 5.024 6.407 ( 7.476 1.771 -0.922) 7.738 6.525 ( -4.284 -1.296 -2.923) 5.346 6.789 ( -7.766 -4.236 -0.918) 8.893 7.006 ( 3.591 -11.115 12.167) 16.867 7.386 ( -7.170 3.143 0.678) 7.858 7.508 ( -0.295 -1.666 1.942) 2.575 7.696 ( 4.283 -9.546 -4.981) 11.588 7.854 ( -2.949 -7.608 -2.442) 8.518 8.212 ( 1.098 -0.689 -4.897) 5.066 8.462 ( -2.426 -7.550 -2.061) 8.194 14.899 ( 0.796 -7.075 -2.022) 7.401 15.076 ( 0.671 -3.938 -2.979) 4.983 15.144 ( 0.458 -5.301 4.141) 6.742 15.340 ( -2.721 -4.830 1.284) 5.691 15.840 ( 3.510 -5.358 -0.536) 6.428 15.936 ( 0.767 1.535 -1.686) 2.406 15.968 ( 0.303 -1.927 -1.206) 2.294 16.025 ( -1.389 0.619 -2.205) 2.678 16.067 ( -2.181 -2.887 1.371) 3.869 16.162 ( -2.922 -2.566 -0.269) 3.898 16.397 ( 1.314 1.125 2.406) 2.963 16.438 ( 1.421 5.749 2.778) 6.541 18.725 ( 0.100 0.433 -0.368) 0.577 18.726 ( -0.029 0.235 -0.403) 0.468 18.756 ( -0.190 0.601 0.249) 0.677 18.758 ( -0.226 0.744 0.121) 0.787 19.759 ( 0.585 -0.435 0.099) 0.735 19.787 ( -0.775 0.328 -0.301) 0.894 20.185 ( 1.043 0.299 0.240) 1.111 20.232 ( -1.200 0.473 -0.533) 1.396 41.555 ( -1.136 0.301 -0.357) 1.228 41.561 ( -1.024 0.024 -0.367) 1.088 41.740 ( -0.490 0.472 -0.575) 0.891 41.776 ( -0.521 0.491 0.446) 0.843 42.199 ( 4.159 8.330 0.425) 9.320 42.309 ( 5.389 5.293 0.707) 7.586 42.390 ( -3.551 10.336 1.458) 11.025 42.446 ( 6.638 8.738 1.096) 11.028 42.555 ( -5.692 7.443 3.129) 9.878 42.619 ( 3.577 5.334 -1.171) 6.528 42.789 ( -5.028 4.599 -1.331) 6.943 42.888 ( -5.179 2.591 -0.580) 5.820 43.106 ( 4.199 4.262 1.134) 6.089 43.281 ( -2.566 3.128 0.162) 4.049 43.308 ( 4.460 2.964 -0.885) 5.427 43.516 ( -4.534 4.990 -2.342) 7.137 49.409 ( 0.905 -12.072 1.753) 12.233 49.482 ( -0.860 -10.937 3.570) 11.537 49.639 ( 4.406 -12.283 -1.424) 13.127 49.823 ( -3.896 -13.601 -2.055) 14.296 49.929 ( 6.535 -4.833 1.396) 8.248 50.177 ( 5.454 -3.992 -2.256) 7.126 50.198 ( -5.715 -4.234 1.576) 7.285 50.437 ( -6.351 -5.730 -2.000) 8.784 65.537 ( 8.851 -11.061 1.477) 14.243 65.634 ( 2.748 -7.370 4.948) 9.293 66.175 ( -1.063 -18.797 -5.056) 19.494 66.406 ( -3.791 -15.973 -0.680) 16.430 88.330 ( -3.016 -0.045 -4.792) 5.662 88.419 ( -2.853 -2.459 0.134) 3.769 88.479 ( 0.697 0.241 -0.216) 0.768 88.581 ( -0.348 1.527 -1.590) 2.232 88.680 ( 1.365 -1.705 1.704) 2.770 88.758 ( -0.456 -3.122 -0.253) 3.165 88.884 ( -0.044 -0.562 -1.217) 1.341 88.978 ( 0.820 1.560 -1.032) 2.043 89.078 ( 7.328 0.428 -0.483) 7.356 89.156 ( 1.776 -2.896 5.475) 6.444 89.241 ( 2.072 -1.209 -0.260) 2.413 89.403 ( 5.832 -1.723 6.590) 8.967 90.622 ( -0.218 -12.057 -9.451) 15.321 91.025 ( 0.067 1.795 -22.779) 22.850 91.374 ( -5.565 -10.976 14.564) 19.067 91.977 ( -5.646 -6.479 14.983) 17.273 ======================= Grid point 115 (44/112) ======================= q-point: (-0.50 0.23 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.095 ( 0.000 18.179 -3.435) 18.500 2.165 ( -0.000 10.414 1.208) 10.484 2.328 ( 0.000 15.342 0.787) 15.362 2.417 ( -0.000 14.377 1.988) 14.514 2.686 ( -0.000 2.191 -4.971) 5.433 2.701 ( 0.000 6.202 -2.997) 6.888 2.885 ( -0.000 0.579 1.961) 2.045 2.990 ( 0.000 5.757 6.028) 8.336 3.219 ( 0.000 3.446 -1.526) 3.769 3.233 ( 0.000 -2.341 -10.245) 10.509 3.492 ( 0.000 3.913 7.533) 8.489 3.518 ( -0.000 1.591 -4.319) 4.602 3.715 ( 0.000 -3.166 7.126) 7.798 3.861 ( 0.000 -0.459 14.778) 14.785 3.937 ( 0.000 -1.855 0.553) 1.935 3.960 ( 0.000 -1.126 1.224) 1.663 4.393 ( 0.000 21.199 -2.045) 21.298 4.718 ( -0.000 7.246 11.413) 13.519 5.388 ( 0.000 -4.448 -6.245) 7.667 5.593 ( -0.000 -3.910 -4.904) 6.271 6.343 ( -0.000 3.468 -6.004) 6.934 6.350 ( 0.000 -1.574 -4.727) 4.982 6.381 ( 0.000 -6.229 -1.255) 6.354 6.578 ( 0.000 -2.606 3.060) 4.020 6.658 ( 0.000 1.425 -4.444) 4.667 7.070 ( 0.000 -14.181 12.008) 18.582 7.292 ( 0.000 4.779 -0.652) 4.823 7.485 ( 0.000 1.953 4.220) 4.650 7.758 ( -0.000 -10.302 -4.130) 11.099 7.821 ( 0.000 -11.997 -4.036) 12.657 8.222 ( 0.000 -0.694 -6.014) 6.054 8.438 ( 0.000 -5.926 1.049) 6.018 14.907 ( 0.000 -6.683 -3.379) 7.489 15.082 ( 0.000 -5.399 -2.365) 5.894 15.151 ( 0.000 -5.324 2.974) 6.098 15.310 ( 0.000 -3.604 3.463) 4.998 15.887 ( 0.000 -4.132 -2.776) 4.978 15.946 ( 0.000 -0.885 -3.300) 3.416 15.966 ( -0.000 -2.269 -0.692) 2.372 15.999 ( 0.000 3.184 0.234) 3.192 16.052 ( 0.000 -4.005 0.967) 4.120 16.129 ( 0.000 -2.710 0.143) 2.714 16.409 ( 0.000 1.425 2.834) 3.172 16.452 ( 0.000 5.621 3.213) 6.475 18.725 ( 0.000 0.249 -0.376) 0.451 18.726 ( -0.000 0.439 -0.393) 0.589 18.755 ( 0.000 0.690 0.196) 0.717 18.755 ( -0.000 0.690 0.197) 0.718 19.771 ( 0.000 -0.048 -0.153) 0.160 19.772 ( -0.000 -0.149 -0.121) 0.192 20.206 ( 0.000 0.584 -0.206) 0.619 20.209 ( -0.000 0.234 -0.128) 0.266 41.544 ( -0.000 0.253 -0.493) 0.554 41.549 ( 0.000 0.120 -0.360) 0.379 41.735 ( 0.000 0.547 -0.664) 0.860 41.771 ( 0.000 0.578 0.362) 0.682 42.269 ( -0.000 7.985 -0.017) 7.985 42.307 ( 0.000 10.256 2.382) 10.529 42.435 ( 0.000 6.900 2.300) 7.273 42.442 ( -0.000 6.475 0.841) 6.530 42.557 ( -0.000 7.408 -0.590) 7.432 42.616 ( 0.000 7.927 0.628) 7.952 42.780 ( -0.000 2.643 -1.338) 2.962 42.792 ( 0.000 3.234 -0.888) 3.354 43.187 ( -0.000 3.868 0.956) 3.984 43.200 ( 0.000 3.894 1.445) 4.154 43.419 ( 0.000 3.671 -2.077) 4.218 43.419 ( -0.000 3.536 -2.163) 4.145 49.420 ( 0.000 -11.668 1.485) 11.762 49.472 ( 0.000 -11.325 3.845) 11.960 49.709 ( -0.000 -13.057 -2.872) 13.369 49.758 ( 0.000 -12.677 -0.628) 12.693 50.051 ( -0.000 -4.577 0.942) 4.673 50.078 ( 0.000 -4.461 2.115) 4.937 50.293 ( -0.000 -5.019 -2.695) 5.697 50.318 ( 0.000 -4.922 -1.583) 5.170 65.633 ( -0.000 -10.429 0.710) 10.453 65.663 ( 0.000 -10.694 2.188) 10.915 66.152 ( 0.000 -15.125 -5.061) 15.949 66.372 ( 0.000 -18.432 1.981) 18.538 88.300 ( 0.000 0.171 -5.548) 5.550 88.390 ( 0.000 -2.706 -0.635) 2.779 88.488 ( 0.000 -0.129 1.399) 1.405 88.572 ( 0.000 2.260 -1.524) 2.726 88.695 ( 0.000 -1.678 1.520) 2.264 88.752 ( 0.000 -2.714 0.911) 2.863 88.885 ( 0.000 -0.811 -1.451) 1.662 88.987 ( 0.000 1.747 -2.217) 2.823 89.153 ( 0.000 -0.053 4.132) 4.132 89.219 ( 0.000 -1.465 1.384) 2.015 89.225 ( -0.000 -2.037 0.619) 2.128 89.461 ( 0.000 -1.398 7.702) 7.828 90.618 ( 0.000 -11.916 -13.162) 17.755 91.024 ( 0.000 0.678 -21.058) 21.069 91.317 ( 0.000 -12.213 15.676) 19.872 91.919 ( 0.000 -5.676 13.580) 14.718 ======================= Grid point 119 (45/112) ======================= q-point: ( 0.00 0.31 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.905 ( 0.000 21.438 7.847) 22.829 2.250 ( 0.000 8.947 3.073) 9.460 2.441 ( 0.000 -1.223 5.030) 5.177 2.545 ( 0.000 3.022 -3.583) 4.688 2.633 ( 0.000 10.196 2.323) 10.457 2.855 ( 0.000 -2.891 -2.312) 3.702 2.862 ( 0.000 4.646 -1.936) 5.034 2.998 ( 0.000 -3.472 3.762) 5.119 3.204 ( 0.000 15.209 -9.340) 17.848 3.314 ( 0.000 2.318 0.340) 2.343 3.359 ( 0.000 0.119 2.538) 2.541 3.578 ( 0.000 3.180 2.028) 3.771 3.621 ( 0.000 -3.532 -0.996) 3.670 3.832 ( 0.000 5.611 0.580) 5.641 3.992 ( 0.000 12.547 8.859) 15.359 4.051 ( 0.000 2.864 -0.342) 2.885 4.225 ( 0.000 3.365 0.621) 3.422 5.134 ( 0.000 -0.719 -5.760) 5.804 5.608 ( 0.000 -10.736 -0.808) 10.766 5.817 ( 0.000 0.311 -0.497) 0.586 6.007 ( 0.000 -4.222 7.287) 8.422 6.040 ( 0.000 5.554 6.688) 8.694 6.406 ( 0.000 2.137 -3.338) 3.964 6.547 ( 0.000 -13.961 -2.663) 14.213 6.753 ( 0.000 5.430 -3.926) 6.701 7.073 ( 0.000 -3.566 3.377) 4.911 7.074 ( 0.000 -7.301 6.994) 10.111 7.462 ( 0.000 -1.892 -2.688) 3.287 7.682 ( 0.000 -2.558 -1.958) 3.222 7.971 ( 0.000 0.995 0.439) 1.087 8.159 ( 0.000 0.514 -2.381) 2.436 8.295 ( 0.000 -14.368 -10.418) 17.747 14.709 ( 0.000 -8.206 2.370) 8.541 15.007 ( 0.000 -1.750 -2.129) 2.756 15.062 ( 0.000 -3.544 1.395) 3.808 15.272 ( 0.000 -6.572 -1.840) 6.824 15.641 ( 0.000 -5.452 1.235) 5.590 15.846 ( 0.000 -4.544 -1.752) 4.870 16.016 ( 0.000 4.835 2.818) 5.596 16.030 ( 0.000 -3.968 -2.157) 4.517 16.102 ( 0.000 0.204 -1.866) 1.877 16.226 ( 0.000 -1.674 5.275) 5.534 16.356 ( 0.000 1.470 -2.473) 2.877 16.526 ( 0.000 6.509 -0.853) 6.564 18.728 ( 0.000 -0.032 -0.386) 0.387 18.729 ( 0.000 0.211 -0.199) 0.290 18.771 ( 0.000 0.388 0.251) 0.462 18.780 ( 0.000 0.746 -0.038) 0.747 19.735 ( 0.000 -0.519 0.670) 0.848 19.822 ( 0.000 0.910 -0.661) 1.125 20.168 ( 0.000 0.176 0.785) 0.804 20.267 ( 0.000 0.360 -0.799) 0.876 41.590 ( 0.000 0.151 -0.084) 0.172 41.597 ( 0.000 0.011 -0.173) 0.173 41.761 ( 0.000 0.199 -0.080) 0.214 41.793 ( 0.000 -0.186 0.855) 0.875 42.217 ( 0.000 2.598 1.529) 3.015 42.300 ( 0.000 7.637 1.541) 7.791 42.523 ( 0.000 11.926 -1.211) 11.987 42.603 ( 0.000 5.275 -0.972) 5.364 42.743 ( 0.000 10.885 0.261) 10.888 42.853 ( 0.000 7.105 3.407) 7.879 43.008 ( 0.000 4.326 -1.115) 4.468 43.052 ( 0.000 2.461 0.971) 2.645 43.092 ( 0.000 3.933 0.336) 3.947 43.205 ( 0.000 4.008 -1.268) 4.203 43.411 ( 0.000 0.482 1.792) 1.855 43.764 ( 0.000 7.599 -3.229) 8.257 49.087 ( 0.000 -15.498 2.126) 15.643 49.277 ( 0.000 -11.324 2.629) 11.625 49.290 ( 0.000 -12.326 -1.073) 12.372 49.594 ( 0.000 -15.114 -2.224) 15.277 49.721 ( 0.000 -2.235 1.712) 2.816 50.005 ( 0.000 -2.108 -2.528) 3.292 50.257 ( 0.000 -2.774 1.294) 3.061 50.445 ( 0.000 -5.773 -1.560) 5.980 65.117 ( 0.000 -6.618 4.341) 7.915 65.542 ( 0.000 0.120 6.249) 6.250 65.715 ( 0.000 -20.628 -4.826) 21.185 66.243 ( 0.000 -13.343 -4.802) 14.181 88.436 ( 0.000 0.659 -0.815) 1.048 88.471 ( 0.000 -0.025 -1.565) 1.565 88.482 ( 0.000 -0.594 -3.250) 3.304 88.539 ( 0.000 -0.108 0.806) 0.813 88.614 ( 0.000 -0.675 -0.385) 0.778 88.687 ( 0.000 -3.959 -1.706) 4.311 88.896 ( 0.000 -0.496 -1.856) 1.921 88.940 ( 0.000 -0.263 -3.151) 3.162 88.975 ( 0.000 -1.649 -3.568) 3.931 89.073 ( 0.000 -1.295 3.762) 3.979 89.092 ( 0.000 -4.045 -1.305) 4.251 89.105 ( 0.000 -2.322 3.965) 4.594 90.386 ( 0.000 -10.406 7.286) 12.703 91.136 ( 0.000 5.604 -16.263) 17.202 91.382 ( 0.000 -6.652 7.196) 9.799 91.970 ( 0.000 -8.155 12.055) 14.555 ======================= Grid point 120 (46/112) ======================= q-point: ( 0.17 0.31 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.058 ( 13.905 17.855 6.051) 23.426 2.277 ( 2.638 9.407 3.207) 10.283 2.545 ( 0.836 2.061 -3.379) 4.045 2.567 ( 9.345 1.892 1.679) 9.682 2.603 ( 0.490 5.762 2.236) 6.200 2.845 ( 0.018 8.008 -1.448) 8.138 2.942 ( 4.814 -1.872 -0.144) 5.167 2.997 ( -0.657 5.226 -2.871) 5.999 3.164 ( -0.581 0.402 3.320) 3.394 3.308 ( -2.969 5.437 -2.010) 6.513 3.318 ( -1.856 3.228 -0.961) 3.846 3.603 ( -1.540 -0.078 -1.908) 2.453 3.648 ( 5.762 2.915 0.990) 6.532 3.817 ( -0.573 4.854 7.658) 9.085 4.033 ( -0.315 3.753 3.956) 5.462 4.093 ( 4.556 4.786 -0.594) 6.635 4.204 ( 0.521 5.354 1.947) 5.720 5.170 ( 3.741 -0.287 -6.052) 7.120 5.481 ( -12.621 -8.541 1.122) 15.281 5.762 ( -5.557 2.615 -4.802) 7.796 6.037 ( 1.575 0.529 7.280) 7.467 6.143 ( 11.060 -5.367 6.102) 13.724 6.355 ( -3.097 0.594 -5.561) 6.393 6.600 ( 3.214 -10.922 2.343) 11.624 6.692 ( -5.408 3.240 -3.605) 7.263 6.964 ( -4.681 -0.041 5.711) 7.385 7.227 ( 8.566 -8.848 0.107) 12.316 7.479 ( 1.076 -1.257 -0.596) 1.759 7.637 ( -3.930 -1.690 -2.341) 4.877 7.889 ( -8.345 -2.047 -1.527) 8.727 8.172 ( 1.226 -0.371 -3.346) 3.583 8.299 ( 0.511 -10.846 -6.193) 12.500 14.724 ( 1.535 -7.661 1.580) 7.971 15.010 ( 0.082 -2.102 -2.769) 3.478 15.050 ( -1.007 -4.038 2.082) 4.654 15.261 ( -1.058 -6.064 -0.855) 6.215 15.668 ( 2.785 -5.158 0.937) 5.937 15.855 ( 0.871 -4.505 -2.158) 5.070 16.004 ( -0.698 0.796 -0.389) 1.128 16.039 ( 0.198 -0.265 0.892) 0.951 16.079 ( -2.315 0.223 -1.637) 2.844 16.192 ( -2.915 -0.595 3.418) 4.531 16.383 ( 2.175 0.940 -0.878) 2.527 16.529 ( 0.323 5.619 0.112) 5.629 18.728 ( -0.009 -0.013 -0.359) 0.359 18.730 ( 0.106 0.232 -0.219) 0.336 18.770 ( -0.133 0.431 0.240) 0.511 18.778 ( -0.194 0.736 -0.023) 0.761 19.740 ( 0.528 -0.374 0.542) 0.844 19.815 ( -0.700 0.867 -0.599) 1.265 20.174 ( 0.636 0.186 0.641) 0.922 20.259 ( -0.758 0.350 -0.717) 1.101 41.582 ( -0.854 0.206 -0.118) 0.886 41.586 ( -1.116 0.179 -0.144) 1.140 41.757 ( -0.379 0.311 -0.157) 0.515 41.789 ( -0.361 -0.092 0.785) 0.869 42.260 ( 4.379 3.540 1.099) 5.737 42.329 ( 3.131 7.322 1.807) 8.165 42.554 ( 3.235 11.273 -1.247) 11.794 42.624 ( 1.724 5.809 -0.334) 6.068 42.715 ( -2.381 10.035 0.070) 10.314 42.811 ( -4.067 7.309 2.722) 8.796 42.975 ( -3.271 4.648 -0.933) 5.760 43.019 ( -3.112 2.622 0.538) 4.105 43.121 ( 2.555 3.536 0.678) 4.415 43.258 ( 5.037 3.836 -1.391) 6.482 43.389 ( -2.197 0.705 1.879) 2.976 43.730 ( -3.568 7.245 -3.070) 8.640 49.100 ( 1.329 -15.132 2.086) 15.333 49.266 ( -1.114 -11.600 2.684) 11.959 49.314 ( 2.502 -12.432 -1.198) 12.738 49.577 ( -1.686 -14.858 -2.114) 15.102 49.758 ( 3.809 -2.296 1.654) 4.745 50.030 ( 2.694 -2.436 -2.440) 4.376 50.222 ( -3.635 -2.753 1.314) 4.746 50.412 ( -3.398 -5.586 -1.576) 6.726 65.174 ( 5.603 -8.119 3.441) 10.447 65.527 ( -1.449 -3.717 3.290) 5.171 65.753 ( 3.654 -17.185 -2.217) 17.709 66.206 ( -3.786 -12.927 -3.894) 14.022 88.397 ( -3.403 0.268 -3.061) 4.585 88.448 ( -3.508 -1.134 -0.409) 3.709 88.476 ( 0.377 0.188 -1.801) 1.849 88.570 ( 3.001 0.479 -0.103) 3.041 88.625 ( 0.967 -0.975 0.117) 1.379 88.692 ( 0.320 -3.263 -2.077) 3.881 88.881 ( -0.737 -0.654 -1.380) 1.696 88.963 ( 2.071 -0.357 -3.089) 3.737 88.985 ( 1.610 -0.016 0.668) 1.743 89.075 ( 0.552 -3.487 1.527) 3.846 89.119 ( 3.975 -2.962 -0.121) 4.959 89.206 ( 7.181 -3.554 2.747) 8.470 90.396 ( 1.011 -9.756 4.694) 10.873 91.128 ( -0.891 5.450 -16.247) 17.160 91.312 ( -7.008 -7.273 8.126) 12.963 91.927 ( -4.167 -7.602 11.541) 14.434 ======================= Grid point 121 (47/112) ======================= q-point: ( 0.33 0.31 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.283 ( 6.398 9.676 2.319) 11.829 2.333 ( 2.778 9.689 3.105) 10.547 2.574 ( 3.807 5.780 -5.997) 9.158 2.626 ( 4.216 7.378 -1.809) 8.688 2.759 ( 5.362 0.672 1.456) 5.597 2.852 ( 0.954 15.854 3.449) 16.253 2.915 ( -4.998 6.677 -6.525) 10.590 3.106 ( 11.108 -3.496 1.574) 11.751 3.208 ( -3.353 4.361 4.861) 7.341 3.257 ( 5.394 0.011 -0.654) 5.433 3.296 ( -0.005 1.128 -2.496) 2.739 3.590 ( 0.564 0.065 0.151) 0.587 3.712 ( -2.583 1.490 2.381) 3.816 3.820 ( 2.266 3.416 8.431) 9.375 4.006 ( -2.207 2.439 3.356) 4.699 4.047 ( -4.846 3.097 3.417) 6.690 4.387 ( 15.371 4.772 -0.127) 16.095 5.154 ( -20.983 -3.095 1.441) 21.259 5.269 ( 5.908 0.329 -6.706) 8.943 5.631 ( -7.046 2.355 -5.828) 9.442 6.120 ( 6.374 -4.767 4.427) 9.108 6.288 ( 0.082 -5.894 -3.908) 7.072 6.373 ( 6.129 -1.478 2.191) 6.674 6.564 ( -3.654 2.849 0.541) 4.665 6.667 ( 2.123 -6.970 1.698) 7.481 6.888 ( -3.971 0.943 2.670) 4.878 7.371 ( 5.908 -9.396 -2.266) 11.328 7.457 ( -3.063 2.257 -0.277) 3.815 7.594 ( -0.188 -1.733 0.361) 1.780 7.699 ( -10.168 -7.645 -3.795) 13.276 8.193 ( 0.812 -1.262 -3.950) 4.226 8.313 ( 0.823 -6.641 -1.407) 6.838 14.761 ( 2.088 -6.216 -0.650) 6.589 14.991 ( -1.931 -4.536 0.565) 4.962 15.045 ( 0.494 -3.733 -0.868) 3.864 15.239 ( -1.093 -4.984 1.455) 5.306 15.740 ( 4.606 -4.299 -0.149) 6.302 15.870 ( 0.303 -4.358 -3.508) 5.603 15.996 ( -0.893 -2.675 0.832) 2.940 16.007 ( -2.313 -0.498 -0.828) 2.507 16.048 ( -0.928 1.830 0.514) 2.116 16.139 ( -2.214 1.912 1.263) 3.186 16.419 ( 1.456 0.715 0.251) 1.642 16.537 ( 0.401 3.791 2.069) 4.337 18.728 ( 0.023 0.052 -0.334) 0.339 18.732 ( 0.102 0.227 -0.233) 0.341 18.768 ( -0.067 0.537 0.198) 0.576 18.773 ( -0.277 0.704 0.028) 0.757 19.755 ( 0.955 -0.009 0.226) 0.982 19.798 ( -1.129 0.713 -0.420) 1.400 20.191 ( 1.129 0.210 0.284) 1.183 20.240 ( -1.245 0.319 -0.481) 1.372 41.562 ( -0.996 0.425 -0.189) 1.099 41.565 ( -0.900 0.338 -0.124) 0.969 41.750 ( -0.331 0.485 -0.280) 0.651 41.782 ( -0.341 0.076 0.659) 0.746 42.360 ( 5.486 6.622 0.118) 8.600 42.419 ( 6.309 5.971 2.395) 9.010 42.601 ( -3.184 9.802 1.055) 10.360 42.643 ( 4.562 9.980 -0.709) 10.996 42.707 ( -5.002 7.060 1.475) 8.777 42.727 ( 2.363 5.306 -0.835) 5.868 42.894 ( -5.004 5.484 -0.688) 7.456 42.941 ( -5.020 2.477 0.011) 5.597 43.180 ( 3.617 2.953 1.108) 4.799 43.326 ( -2.948 1.303 1.100) 3.406 43.381 ( 6.196 4.051 -0.985) 7.468 43.637 ( -6.032 6.286 -2.650) 9.106 49.133 ( 1.980 -14.150 1.853) 14.408 49.237 ( -1.774 -12.389 2.986) 12.867 49.376 ( 3.816 -12.797 -1.674) 13.459 49.532 ( -2.993 -14.201 -1.698) 14.612 49.857 ( 6.519 -2.432 1.497) 7.117 50.102 ( 4.404 -3.254 -2.164) 5.888 50.127 ( -5.821 -2.704 1.318) 6.553 50.325 ( -5.621 -5.062 -1.645) 7.741 65.301 ( 7.094 -10.739 1.524) 12.960 65.490 ( -2.621 -8.776 0.309) 9.164 65.837 ( 4.825 -12.627 -0.523) 13.527 66.114 ( -5.496 -12.463 -1.287) 13.681 88.337 ( -2.515 0.666 -4.977) 5.616 88.377 ( -3.160 -1.484 -1.291) 3.722 88.483 ( 0.248 0.182 0.614) 0.686 88.612 ( 0.896 1.365 0.483) 1.703 88.644 ( 1.018 -1.688 0.472) 2.027 88.695 ( 0.039 -2.630 -1.263) 2.918 88.878 ( 0.076 -0.349 -1.378) 1.423 88.994 ( 1.207 0.130 -1.695) 2.085 89.064 ( 5.422 -2.457 -0.105) 5.954 89.097 ( 1.988 -2.855 2.872) 4.511 89.188 ( 2.450 -3.348 -0.444) 4.172 89.335 ( 5.717 -4.502 4.322) 8.463 90.421 ( 1.588 -7.313 -2.572) 7.913 91.097 ( -3.402 0.893 -5.913) 6.880 91.165 ( -6.005 -5.164 1.419) 8.046 91.840 ( -4.268 -6.576 10.466) 13.077 ======================= Grid point 122 (48/112) ======================= q-point: (-0.50 0.31 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.333 ( -0.000 7.739 1.359) 7.857 2.349 ( 0.000 7.546 1.782) 7.753 2.631 ( 0.000 4.716 -6.213) 7.800 2.702 ( -0.000 15.560 -6.916) 17.027 2.757 ( 0.000 6.271 0.998) 6.350 2.857 ( -0.000 5.372 -2.830) 6.071 2.909 ( -0.000 6.711 7.318) 9.929 3.142 ( 0.000 9.083 2.004) 9.301 3.201 ( 0.000 -1.187 -4.517) 4.670 3.282 ( 0.000 2.226 -0.443) 2.270 3.457 ( 0.000 -5.756 -1.810) 6.034 3.578 ( -0.000 1.127 10.773) 10.832 3.604 ( 0.000 -2.215 -0.930) 2.402 3.868 ( 0.000 3.086 9.234) 9.736 3.973 ( 0.000 3.626 0.923) 3.742 3.998 ( 0.000 2.513 5.885) 6.399 4.736 ( 0.004 9.068 1.769) 9.239 4.739 ( -0.004 -5.818 -0.130) 5.820 5.350 ( 0.000 2.620 -8.514) 8.908 5.545 ( -0.000 -0.736 -4.241) 4.305 6.217 ( -0.000 -5.755 -0.625) 5.789 6.272 ( 0.000 -8.870 -0.162) 8.871 6.373 ( 0.000 2.157 -0.195) 2.166 6.587 ( 0.000 0.294 2.666) 2.682 6.715 ( 0.000 2.792 -2.624) 3.832 6.815 ( 0.000 -6.885 4.692) 8.332 7.385 ( 0.000 3.345 -0.684) 3.414 7.490 ( 0.000 -3.644 0.215) 3.650 7.544 ( -0.000 -9.777 -3.972) 10.553 7.614 ( 0.000 -6.440 -0.618) 6.469 8.201 ( 0.000 -1.468 -4.011) 4.271 8.322 ( 0.000 -5.337 -0.020) 5.337 14.785 ( 0.000 -5.052 -2.602) 5.683 14.967 ( 0.000 -6.022 3.143) 6.793 15.052 ( 0.000 -3.818 -2.691) 4.671 15.227 ( 0.000 -4.385 2.874) 5.243 15.811 ( 0.000 -3.131 -2.431) 3.964 15.855 ( -0.000 -4.173 -2.626) 4.930 15.961 ( -0.000 -4.470 1.099) 4.604 16.015 ( 0.000 -3.804 1.700) 4.167 16.028 ( 0.000 4.078 -1.131) 4.232 16.118 ( 0.000 4.018 0.324) 4.031 16.433 ( 0.000 0.715 0.552) 0.904 16.541 ( 0.000 2.872 3.037) 4.181 18.729 ( 0.000 0.077 -0.337) 0.346 18.733 ( 0.000 0.219 -0.225) 0.314 18.768 ( 0.000 0.638 0.109) 0.647 18.769 ( -0.000 0.646 0.119) 0.657 19.775 ( 0.000 0.368 -0.144) 0.395 19.776 ( -0.000 0.445 -0.120) 0.460 20.213 ( 0.000 0.142 -0.182) 0.230 20.216 ( -0.000 0.380 -0.073) 0.387 41.552 ( 0.000 0.507 -0.226) 0.555 41.556 ( 0.000 0.412 -0.131) 0.432 41.747 ( 0.000 0.555 -0.331) 0.646 41.778 ( 0.000 0.153 0.602) 0.621 42.432 ( -0.000 7.735 -0.420) 7.746 42.510 ( -0.000 8.676 2.772) 9.108 42.580 ( 0.000 7.255 1.319) 7.374 42.582 ( -0.000 7.306 1.842) 7.534 42.721 ( -0.000 8.183 -2.067) 8.440 42.783 ( 0.000 8.045 0.099) 8.046 42.833 ( 0.000 2.507 -0.993) 2.697 42.857 ( 0.000 3.015 -0.122) 3.018 43.248 ( 0.000 2.191 1.262) 2.528 43.259 ( -0.000 1.990 1.663) 2.593 43.512 ( 0.001 5.095 -2.114) 5.516 43.512 ( -0.001 5.057 -2.043) 5.454 49.159 ( 0.000 -13.109 1.220) 13.165 49.213 ( 0.000 -13.334 3.652) 13.825 49.433 ( -0.000 -13.321 -2.866) 13.626 49.484 ( 0.000 -13.527 -0.534) 13.538 49.980 ( -0.000 -2.451 0.847) 2.593 50.005 ( 0.000 -2.730 1.953) 3.357 50.199 ( -0.000 -4.116 -2.412) 4.770 50.222 ( 0.000 -4.358 -1.359) 4.565 65.411 ( -0.000 -10.985 -0.215) 10.988 65.427 ( 0.000 -11.850 0.274) 11.853 65.902 ( -0.000 -9.425 -2.238) 9.687 66.041 ( -0.000 -13.532 1.943) 13.671 88.312 ( 0.000 0.937 -5.602) 5.679 88.346 ( 0.000 -1.494 -1.811) 2.348 88.485 ( 0.000 -0.081 2.105) 2.107 88.616 ( 0.000 2.063 0.052) 2.064 88.656 ( 0.000 -2.031 0.896) 2.220 88.695 ( 0.000 -2.458 -0.487) 2.506 88.879 ( 0.000 -0.099 -1.628) 1.631 89.006 ( 0.000 0.267 -2.049) 2.067 89.098 ( 0.000 -4.852 2.167) 5.314 89.164 ( 0.000 -3.738 0.432) 3.763 89.196 ( -0.000 -1.576 0.842) 1.787 89.393 ( 0.000 -4.772 5.310) 7.139 90.441 ( 0.000 -4.928 -8.500) 9.826 91.032 ( 0.000 -9.382 15.014) 17.705 91.126 ( 0.000 2.909 -15.694) 15.961 91.795 ( 0.000 -6.108 9.910) 11.641 ======================= Grid point 126 (49/112) ======================= q-point: ( 0.00 0.38 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.305 ( 0.000 14.291 4.442) 14.966 2.309 ( 0.000 -0.727 7.632) 7.667 2.462 ( 0.000 6.175 4.622) 7.713 2.629 ( 0.000 3.698 -0.694) 3.763 2.793 ( 0.000 -2.872 -1.627) 3.301 2.841 ( 0.000 8.667 2.514) 9.024 2.898 ( 0.000 -3.290 5.718) 6.597 2.989 ( 0.000 6.842 -3.884) 7.868 3.343 ( 0.000 1.353 -0.323) 1.391 3.429 ( 0.000 4.392 -0.489) 4.419 3.505 ( 0.000 10.233 -12.096) 15.844 3.529 ( 0.000 -4.117 1.393) 4.346 3.543 ( 0.000 -3.622 0.084) 3.623 3.938 ( 0.000 3.178 0.336) 3.196 4.070 ( 0.000 -4.343 6.310) 7.660 4.105 ( 0.000 3.396 0.943) 3.524 4.331 ( 0.000 7.285 4.527) 8.577 5.232 ( 0.000 8.163 -10.593) 13.373 5.318 ( 0.000 -17.155 -0.750) 17.172 5.724 ( 0.000 -5.600 1.768) 5.873 5.915 ( 0.000 -3.617 6.922) 7.810 6.258 ( 0.000 11.975 1.606) 12.082 6.285 ( 0.000 -10.638 -0.822) 10.670 6.475 ( 0.000 3.957 -2.880) 4.894 6.785 ( 0.000 -1.318 -1.173) 1.764 7.002 ( 0.000 -3.405 5.207) 6.221 7.082 ( 0.000 6.657 3.009) 7.305 7.406 ( 0.000 -3.247 -2.094) 3.864 7.627 ( 0.000 -2.606 -1.255) 2.893 7.982 ( 0.000 -15.929 -8.227) 17.928 7.993 ( 0.000 1.004 0.108) 1.010 8.179 ( 0.000 1.256 -2.848) 3.113 14.560 ( 0.000 -6.031 3.304) 6.877 14.979 ( 0.000 -1.028 -3.026) 3.196 14.999 ( 0.000 -2.473 1.061) 2.691 15.156 ( 0.000 -4.535 -1.342) 4.730 15.546 ( 0.000 -3.714 1.182) 3.898 15.762 ( 0.000 -3.465 -2.062) 4.032 15.942 ( 0.000 -3.940 0.293) 3.951 16.109 ( 0.000 0.256 -2.074) 2.090 16.124 ( 0.000 5.412 2.207) 5.845 16.209 ( 0.000 -0.306 4.409) 4.420 16.364 ( 0.000 -0.720 -1.588) 1.743 16.647 ( 0.000 4.936 -2.999) 5.776 18.727 ( 0.000 -0.066 -0.157) 0.170 18.731 ( 0.000 0.045 -0.102) 0.111 18.778 ( 0.000 0.274 0.245) 0.368 18.793 ( 0.000 0.517 -0.062) 0.520 19.726 ( 0.000 -0.356 0.852) 0.924 19.839 ( 0.000 0.728 -0.881) 1.143 20.171 ( 0.000 0.159 0.916) 0.930 20.272 ( 0.000 0.212 -0.660) 0.693 41.595 ( 0.000 0.249 -0.033) 0.251 41.598 ( 0.000 0.034 -0.084) 0.090 41.765 ( 0.000 0.084 0.137) 0.161 41.788 ( 0.000 -0.219 0.701) 0.734 42.254 ( 0.000 1.327 2.774) 3.075 42.446 ( 0.000 6.079 1.326) 6.222 42.685 ( 0.000 3.847 -1.618) 4.174 42.761 ( 0.000 9.428 -1.539) 9.552 42.944 ( 0.000 8.270 0.090) 8.270 42.972 ( 0.000 4.389 1.501) 4.639 43.080 ( 0.000 2.350 -0.320) 2.372 43.120 ( 0.000 4.240 1.119) 4.385 43.160 ( 0.000 2.596 0.181) 2.602 43.278 ( 0.000 2.964 -1.317) 3.243 43.410 ( 0.000 -0.436 3.102) 3.132 43.902 ( 0.000 5.521 -3.893) 6.756 48.794 ( 0.000 -12.320 2.659) 12.604 49.063 ( 0.000 -9.263 -1.529) 9.389 49.065 ( 0.000 -8.821 2.060) 9.059 49.314 ( 0.000 -11.588 -1.734) 11.717 49.689 ( 0.000 -1.036 1.735) 2.021 49.968 ( 0.000 -1.452 -2.480) 2.874 50.214 ( 0.000 -1.439 0.859) 1.676 50.342 ( 0.000 -4.154 -1.085) 4.293 64.999 ( 0.000 -4.670 2.590) 5.340 65.351 ( 0.000 -14.403 -2.790) 14.670 65.549 ( 0.000 0.437 3.488) 3.515 66.012 ( 0.000 -9.007 -3.632) 9.712 88.449 ( 0.000 0.584 -0.581) 0.824 88.469 ( 0.000 -0.106 -0.947) 0.952 88.483 ( 0.000 0.654 -3.784) 3.840 88.539 ( 0.000 0.149 0.466) 0.489 88.598 ( 0.000 -0.855 -0.371) 0.932 88.623 ( 0.000 -2.355 -2.562) 3.480 88.880 ( 0.000 -0.971 -0.958) 1.364 88.934 ( 0.000 -0.307 -2.335) 2.356 88.935 ( 0.000 -2.365 -5.113) 5.634 88.996 ( 0.000 -4.612 -4.018) 6.117 89.050 ( 0.000 -0.858 2.505) 2.648 89.064 ( 0.000 -1.505 2.580) 2.987 90.201 ( 0.000 -7.361 16.400) 17.976 91.205 ( 0.000 -0.196 -1.230) 1.245 91.314 ( 0.000 1.052 -2.704) 2.901 91.832 ( 0.000 -5.289 3.473) 6.327 ======================= Grid point 127 (50/112) ======================= q-point: ( 0.17 0.38 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.337 ( 3.103 0.787 6.672) 7.400 2.412 ( 8.802 12.662 4.301) 16.010 2.587 ( 11.723 3.860 2.943) 12.688 2.604 ( -0.951 3.672 -0.109) 3.795 2.763 ( 0.319 3.066 -0.738) 3.170 2.872 ( 0.041 2.152 3.157) 3.821 2.966 ( 6.672 -5.076 5.048) 9.786 3.031 ( 3.752 6.611 -4.682) 8.928 3.252 ( -6.255 4.593 -0.062) 7.761 3.374 ( -4.332 3.992 2.250) 6.306 3.455 ( -2.052 4.282 -8.514) 9.748 3.589 ( 1.810 2.214 -6.690) 7.275 3.648 ( 7.988 -2.521 1.591) 8.526 3.947 ( 0.609 5.064 5.012) 7.151 4.080 ( -0.260 -0.947 5.309) 5.399 4.105 ( 0.723 -0.924 -1.362) 1.798 4.304 ( -1.861 5.593 4.660) 7.514 5.218 ( -10.206 -15.952 -0.023) 18.938 5.257 ( 2.844 6.833 -10.593) 12.923 5.704 ( -1.498 -5.387 -4.065) 6.913 6.007 ( 7.409 -5.957 7.590) 12.165 6.148 ( -5.855 3.886 4.877) 8.554 6.365 ( 3.932 2.117 -1.251) 4.638 6.499 ( 1.996 1.697 -1.179) 2.873 6.721 ( -4.796 0.644 -0.560) 4.872 7.040 ( -3.457 5.957 1.142) 6.982 7.064 ( 4.443 -7.294 1.867) 8.742 7.438 ( 2.675 -2.317 -0.392) 3.560 7.606 ( -1.985 -1.292 -1.171) 2.642 7.799 ( -12.223 -8.006 -4.500) 15.289 8.095 ( 4.068 -5.687 -2.648) 7.477 8.192 ( 1.135 0.096 -2.297) 2.563 14.585 ( 2.661 -5.574 2.845) 6.801 14.967 ( -2.412 -2.367 -0.160) 3.384 14.989 ( 0.117 -1.533 -1.820) 2.382 15.151 ( -0.478 -4.471 -0.818) 4.571 15.579 ( 3.463 -3.397 1.033) 4.960 15.772 ( 1.049 -3.349 -2.099) 4.089 15.933 ( -0.865 -3.944 0.587) 4.080 16.062 ( -3.996 -0.211 -1.227) 4.185 16.141 ( 0.449 5.234 1.026) 5.352 16.198 ( -0.394 0.865 3.627) 3.749 16.383 ( 1.748 -1.042 -1.067) 2.298 16.630 ( -1.706 3.986 -2.229) 4.875 18.727 ( 0.051 -0.039 -0.154) 0.167 18.732 ( 0.096 0.037 -0.095) 0.140 18.778 ( -0.051 0.309 0.219) 0.382 18.791 ( -0.208 0.514 -0.056) 0.558 19.735 ( 0.876 -0.184 0.701) 1.137 19.832 ( -0.721 0.752 -0.789) 1.307 20.177 ( 0.625 0.141 0.775) 1.005 20.265 ( -0.791 0.193 -0.581) 1.001 41.587 ( -0.751 0.287 -0.050) 0.806 41.589 ( -0.867 0.136 -0.067) 0.880 41.763 ( -0.199 0.174 0.099) 0.282 41.785 ( -0.254 -0.203 0.674) 0.748 42.311 ( 5.769 1.757 2.455) 6.512 42.475 ( 2.967 6.138 1.327) 6.945 42.706 ( 2.196 3.742 -1.325) 4.536 42.782 ( 2.174 8.979 -1.461) 9.353 42.908 ( -3.697 8.167 0.025) 8.965 42.938 ( -3.379 4.756 1.324) 5.983 43.055 ( -2.520 2.652 -0.459) 3.687 43.083 ( -3.745 3.761 0.850) 5.375 43.181 ( 1.989 2.270 0.589) 3.076 43.330 ( 4.623 2.799 -1.521) 5.614 43.395 ( -1.255 0.055 3.154) 3.395 43.861 ( -4.160 5.312 -3.683) 7.686 48.814 ( 2.044 -12.029 2.594) 12.474 49.049 ( -1.675 -9.062 2.106) 9.453 49.086 ( 2.265 -9.348 -1.558) 9.744 49.302 ( -1.208 -11.394 -1.717) 11.586 49.725 ( 3.721 -1.059 1.642) 4.202 49.988 ( 2.111 -1.676 -2.350) 3.576 50.180 ( -3.577 -1.415 0.896) 3.950 50.313 ( -3.040 -4.012 -1.127) 5.158 65.034 ( 3.447 -5.430 2.157) 6.784 65.328 ( -2.147 -12.502 -2.167) 12.868 65.588 ( 3.778 -1.680 2.704) 4.940 65.982 ( -3.077 -8.722 -3.061) 9.742 88.406 ( -3.294 0.626 -2.668) 4.285 88.433 ( -4.158 -0.323 -1.161) 4.329 88.481 ( 1.077 0.368 -0.902) 1.452 88.578 ( 2.426 0.336 0.364) 2.476 88.610 ( 1.456 -0.436 -0.786) 1.711 88.641 ( 1.187 -1.770 -2.042) 2.951 88.861 ( -0.748 -1.296 -2.006) 2.503 88.950 ( 1.166 -2.436 -2.725) 3.836 88.974 ( 2.141 -3.250 -2.843) 4.820 88.977 ( 0.463 -1.406 -1.644) 2.212 89.081 ( 2.931 -1.043 1.394) 3.409 89.134 ( 5.642 -3.087 1.724) 6.659 90.228 ( 3.028 -6.440 14.293) 15.967 91.157 ( -6.533 -3.151 4.345) 8.456 91.276 ( -2.162 4.101 -8.076) 9.312 91.794 ( -3.655 -5.271 3.507) 7.310 ======================= Grid point 128 (51/112) ======================= q-point: ( 0.33 0.38 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.408 ( 3.903 2.717 5.037) 6.927 2.511 ( 0.378 7.965 2.566) 8.377 2.625 ( 2.906 2.662 0.528) 3.976 2.764 ( 6.357 2.583 0.163) 6.863 2.821 ( 2.153 5.468 0.601) 5.907 2.964 ( 3.693 -2.795 -2.371) 5.203 3.044 ( 7.674 -2.529 4.607) 9.301 3.107 ( 3.446 1.231 1.913) 4.129 3.206 ( 3.686 9.079 0.821) 9.833 3.322 ( -0.375 7.206 1.456) 7.362 3.424 ( -1.839 4.528 -12.102) 13.052 3.573 ( -2.943 0.587 -3.000) 4.244 3.761 ( 1.553 2.058 3.121) 4.048 3.945 ( -0.349 7.206 8.373) 11.052 4.051 ( -1.678 1.970 4.266) 4.990 4.088 ( -3.282 -0.057 2.328) 4.025 4.355 ( 8.796 -4.491 -0.761) 9.906 4.964 ( -15.744 -12.985 0.912) 20.428 5.347 ( 6.619 4.416 -11.103) 13.659 5.641 ( -5.844 -2.633 -11.850) 13.472 6.083 ( 0.019 -1.713 7.539) 7.732 6.128 ( 3.346 -4.107 10.173) 11.470 6.440 ( 3.717 6.129 -2.313) 7.532 6.527 ( 0.741 -0.444 1.335) 1.590 6.672 ( 1.356 2.843 -1.437) 3.462 6.949 ( -6.044 3.759 -1.499) 7.274 7.158 ( 5.420 -10.748 -1.886) 12.184 7.475 ( -1.394 -4.974 -1.367) 5.344 7.525 ( -8.555 -2.147 -2.385) 9.137 7.599 ( -3.505 -1.178 1.797) 4.111 8.149 ( 1.834 -3.151 -2.213) 4.265 8.214 ( 1.029 -2.636 -1.070) 3.025 14.653 ( 4.137 -4.198 1.337) 6.043 14.899 ( -4.241 -3.985 2.355) 6.278 14.997 ( 0.500 -1.118 -3.912) 4.099 15.141 ( -0.500 -4.382 0.396) 4.428 15.670 ( 5.851 -2.529 0.411) 6.387 15.794 ( 1.005 -2.866 -2.451) 3.902 15.913 ( -1.280 -4.169 1.616) 4.650 15.967 ( -5.573 -2.165 -0.462) 5.996 16.132 ( -0.884 4.760 -0.127) 4.843 16.208 ( 1.027 3.821 2.538) 4.701 16.418 ( 1.738 -0.856 -1.268) 2.315 16.590 ( -2.143 1.491 -0.073) 2.612 18.729 ( 0.078 0.014 -0.160) 0.179 18.734 ( 0.077 0.009 -0.057) 0.096 18.777 ( 0.052 0.392 0.140) 0.420 18.786 ( -0.314 0.502 -0.028) 0.593 19.757 ( 1.436 0.212 0.318) 1.486 19.813 ( -1.282 0.749 -0.528) 1.576 20.194 ( 1.127 0.112 0.416) 1.207 20.245 ( -1.293 0.147 -0.344) 1.346 41.571 ( -0.818 0.364 -0.079) 0.899 41.572 ( -0.772 0.327 -0.048) 0.839 41.759 ( -0.180 0.349 0.024) 0.394 41.780 ( -0.251 -0.189 0.627) 0.702 42.455 ( 8.834 3.148 1.541) 9.504 42.551 ( 4.977 6.062 1.458) 7.977 42.755 ( 1.752 4.579 0.092) 4.903 42.825 ( -2.556 7.200 -0.367) 7.649 42.839 ( 0.654 6.090 -0.297) 6.133 42.850 ( -3.905 6.566 -0.434) 7.651 42.983 ( -5.248 1.620 0.229) 5.497 43.002 ( -4.056 4.572 -0.225) 6.116 43.228 ( 2.841 1.708 1.257) 3.546 43.341 ( -2.633 0.315 2.199) 3.445 43.461 ( 7.290 3.430 -1.313) 8.163 43.754 ( -7.027 4.753 -3.117) 9.038 48.865 ( 3.248 -11.221 2.336) 11.913 49.004 ( -2.890 -9.754 2.435) 10.461 49.141 ( 3.358 -9.606 -1.837) 10.341 49.269 ( -2.281 -10.928 -1.566) 11.273 49.822 ( 6.389 -1.124 1.397) 6.636 50.046 ( 3.799 -2.231 -2.030) 4.851 50.086 ( -6.022 -1.369 1.017) 6.259 50.235 ( -4.963 -3.610 -1.268) 6.267 65.116 ( 4.912 -7.120 1.083) 8.718 65.277 ( -3.233 -10.371 -1.254) 10.935 65.676 ( 5.276 -4.167 1.246) 6.838 65.903 ( -4.988 -8.002 -1.481) 9.545 88.353 ( -2.116 0.791 -3.663) 4.303 88.361 ( -3.048 -0.234 -1.641) 3.470 88.493 ( 0.174 1.085 0.250) 1.127 88.608 ( 0.967 -1.199 1.992) 2.518 88.642 ( 1.283 0.902 -0.406) 1.620 88.656 ( 0.454 -1.164 -2.211) 2.540 88.862 ( 0.607 -1.257 -2.166) 2.577 88.955 ( -0.034 -6.513 -4.583) 7.964 88.998 ( 1.493 -0.653 -0.881) 1.852 89.039 ( 3.591 -2.503 0.570) 4.414 89.139 ( 2.650 -1.261 1.188) 3.166 89.239 ( 4.734 -4.465 2.451) 6.953 90.319 ( 6.478 -3.046 7.726) 10.533 90.962 ( -12.295 -6.423 10.460) 17.373 91.260 ( -0.021 6.692 -12.280) 13.985 91.716 ( -3.963 -5.498 3.877) 7.808 ======================= Grid point 129 (52/112) ======================= q-point: (-0.50 0.38 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.468 ( 0.000 5.779 3.170) 6.591 2.482 ( -0.000 5.823 2.749) 6.439 2.664 ( 0.000 0.431 0.158) 0.459 2.814 ( 0.000 -1.183 5.223) 5.355 2.874 ( -0.000 2.487 -0.724) 2.590 2.928 ( -0.000 1.795 -6.654) 6.892 3.094 ( 0.000 3.355 5.816) 6.714 3.193 ( 0.000 1.881 1.492) 2.401 3.353 ( 0.000 10.821 -5.975) 12.361 3.355 ( -0.000 9.323 -5.256) 10.702 3.416 ( 0.000 1.371 -0.732) 1.554 3.458 ( 0.000 -5.862 -1.809) 6.135 3.730 ( -0.000 6.927 6.814) 9.716 3.957 ( 0.000 4.924 6.253) 7.959 4.037 ( -0.000 0.951 8.220) 8.275 4.043 ( 0.000 2.819 1.423) 3.158 4.534 ( 0.000 -11.758 -6.286) 13.333 4.723 ( -0.000 -7.768 4.407) 8.931 5.474 ( 0.000 5.508 -13.070) 14.184 5.518 ( -0.000 -2.407 -11.336) 11.589 6.095 ( -0.000 -5.932 6.377) 8.709 6.150 ( 0.000 -1.705 10.798) 10.932 6.470 ( 0.000 7.471 -1.649) 7.651 6.534 ( 0.000 -1.433 1.217) 1.880 6.761 ( -0.000 1.939 -3.931) 4.383 6.832 ( 0.000 4.459 -0.280) 4.467 7.279 ( 0.000 -10.864 -4.256) 11.667 7.302 ( -0.000 -12.013 -3.874) 12.622 7.505 ( 0.000 3.191 1.401) 3.485 7.581 ( 0.000 0.268 3.531) 3.541 8.166 ( 0.000 -1.690 -2.263) 2.825 8.224 ( 0.000 -4.140 -0.395) 4.159 14.708 ( 0.000 -2.336 -1.006) 2.543 14.842 ( -0.000 -5.800 4.764) 7.506 15.003 ( 0.000 -1.045 -4.627) 4.743 15.136 ( 0.000 -4.358 1.123) 4.500 15.765 ( 0.000 -1.264 -1.514) 1.972 15.792 ( -0.000 -1.800 -1.727) 2.495 15.871 ( -0.000 -4.107 1.262) 4.296 15.917 ( -0.000 -4.900 1.658) 5.173 16.122 ( 0.000 4.926 -0.949) 5.016 16.220 ( 0.000 4.789 2.205) 5.272 16.438 ( 0.000 -0.017 -2.314) 2.314 16.566 ( -0.000 -0.473 1.812) 1.873 18.730 ( 0.000 0.045 -0.177) 0.183 18.735 ( 0.000 -0.013 -0.017) 0.022 18.780 ( 0.000 0.477 0.028) 0.478 18.781 ( -0.000 0.456 0.052) 0.459 19.785 ( 0.000 0.576 -0.160) 0.598 19.787 ( -0.000 0.580 -0.110) 0.590 20.215 ( 0.000 0.123 -0.081) 0.147 20.221 ( -0.000 0.098 0.095) 0.136 41.562 ( 0.000 0.444 -0.093) 0.454 41.564 ( 0.000 0.374 -0.045) 0.376 41.757 ( 0.000 0.437 -0.014) 0.437 41.777 ( 0.000 -0.191 0.608) 0.637 42.573 ( -0.000 5.835 0.103) 5.836 42.636 ( -0.000 4.088 2.588) 4.838 42.723 ( 0.000 6.149 0.614) 6.179 42.740 ( -0.000 7.533 1.261) 7.638 42.851 ( -0.000 2.771 -1.669) 3.235 42.900 ( 0.000 2.097 0.568) 2.173 42.903 ( -0.000 5.602 -1.408) 5.777 42.939 ( 0.000 5.669 -0.353) 5.680 43.281 ( 0.000 1.140 1.839) 2.164 43.288 ( -0.000 0.911 2.033) 2.227 43.608 ( 0.001 4.035 -2.338) 4.663 43.609 ( -0.001 4.054 -2.341) 4.681 48.916 ( -0.000 -9.986 1.453) 10.091 48.958 ( 0.000 -10.933 3.347) 11.434 49.191 ( -0.000 -9.767 -2.636) 10.117 49.230 ( 0.000 -10.660 -0.822) 10.692 49.946 ( -0.000 -0.993 0.774) 1.259 49.963 ( 0.000 -1.487 1.518) 2.125 50.128 ( -0.000 -2.744 -1.933) 3.357 50.144 ( 0.000 -3.201 -1.219) 3.425 65.204 ( -0.000 -8.627 -0.198) 8.629 65.207 ( 0.000 -8.998 -0.143) 9.000 65.758 ( 0.000 -4.893 -1.040) 5.002 65.824 ( -0.000 -7.779 0.960) 7.838 88.330 ( 0.000 -0.090 -1.962) 1.964 88.333 ( -0.000 0.899 -3.952) 4.053 88.494 ( 0.000 1.246 1.064) 1.638 88.617 ( 0.000 -1.442 1.681) 2.215 88.655 ( -0.000 1.544 -0.178) 1.554 88.658 ( 0.000 -1.222 -1.532) 1.959 88.870 ( 0.000 -1.000 -2.316) 2.522 88.955 ( 0.000 -7.450 -5.204) 9.087 89.013 ( 0.000 -0.576 0.456) 0.735 89.080 ( 0.000 -3.907 0.201) 3.912 89.166 ( 0.000 -1.014 2.079) 2.313 89.287 ( 0.000 -5.118 3.021) 5.943 90.414 ( 0.000 1.732 -0.366) 1.770 90.805 ( -0.000 -10.360 17.053) 19.953 91.262 ( 0.000 7.722 -13.739) 15.760 91.674 ( 0.000 -5.834 4.334) 7.268 ======================= Grid point 133 (53/112) ======================= q-point: ( 0.00 0.46 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.287 ( 0.000 -0.748 11.730) 11.753 2.404 ( 0.000 0.973 2.412) 2.600 2.692 ( 0.000 3.149 3.683) 4.846 2.711 ( 0.000 6.285 -1.542) 6.472 2.771 ( 0.000 4.831 2.881) 5.624 2.774 ( 0.000 -4.883 6.742) 8.324 3.055 ( 0.000 6.446 -0.774) 6.493 3.116 ( 0.000 4.778 -3.496) 5.920 3.334 ( 0.000 -8.807 3.919) 9.640 3.364 ( 0.000 0.502 -3.173) 3.212 3.479 ( 0.000 -1.139 -4.492) 4.634 3.491 ( 0.000 0.084 1.952) 1.953 3.706 ( 0.000 4.967 -14.755) 15.568 3.938 ( 0.000 -5.248 8.936) 10.363 3.960 ( 0.000 0.082 -3.894) 3.895 4.176 ( 0.000 2.334 3.171) 3.937 4.548 ( 0.000 13.855 10.288) 17.257 4.940 ( 0.000 -18.355 -0.821) 18.373 5.345 ( 0.000 2.012 -17.831) 17.944 5.643 ( 0.000 -2.064 1.365) 2.475 5.899 ( 0.000 1.321 8.735) 8.834 6.131 ( 0.000 -4.171 0.092) 4.172 6.464 ( 0.000 7.265 -1.256) 7.372 6.533 ( 0.000 0.644 -3.278) 3.341 6.764 ( 0.000 -0.466 0.853) 0.972 6.939 ( 0.000 -2.164 7.181) 7.500 7.256 ( 0.000 8.538 2.703) 8.956 7.349 ( 0.000 -1.788 -1.504) 2.336 7.586 ( 0.000 -1.211 -1.580) 1.991 7.678 ( 0.000 -11.954 -7.557) 14.142 8.008 ( 0.000 0.405 0.006) 0.405 8.200 ( 0.000 0.595 -3.030) 3.088 14.474 ( 0.000 -2.202 3.839) 4.426 14.964 ( 0.000 -0.884 0.881) 1.248 14.965 ( 0.000 -0.336 -3.605) 3.620 15.093 ( 0.000 -1.614 -1.058) 1.930 15.494 ( 0.000 -1.322 1.255) 1.823 15.712 ( 0.000 -1.282 -2.358) 2.684 15.884 ( 0.000 -1.501 1.609) 2.200 16.112 ( 0.000 0.053 -2.022) 2.023 16.207 ( 0.000 -0.003 3.782) 3.782 16.225 ( 0.000 3.970 1.318) 4.183 16.330 ( 0.000 -2.248 -0.487) 2.300 16.718 ( 0.000 1.830 -4.338) 4.708 18.726 ( 0.000 -0.019 0.015) 0.024 18.731 ( 0.000 -0.017 -0.038) 0.041 18.782 ( 0.000 0.102 0.254) 0.273 18.800 ( 0.000 0.181 -0.057) 0.190 19.721 ( 0.000 -0.126 0.957) 0.965 19.850 ( 0.000 0.280 -1.015) 1.053 20.174 ( 0.000 0.065 1.023) 1.026 20.275 ( 0.000 0.066 -0.567) 0.571 41.599 ( 0.000 0.018 -0.030) 0.035 41.599 ( 0.000 0.116 -0.028) 0.119 41.765 ( 0.000 -0.040 0.447) 0.449 41.785 ( 0.000 -0.040 0.386) 0.388 42.273 ( 0.000 0.452 3.207) 3.239 42.533 ( 0.000 2.262 1.287) 2.603 42.737 ( 0.000 1.324 -1.283) 1.843 42.902 ( 0.000 3.740 -2.215) 4.346 43.024 ( 0.000 1.267 2.022) 2.386 43.072 ( 0.000 3.378 -0.333) 3.394 43.113 ( 0.000 0.824 -0.759) 1.120 43.191 ( 0.000 2.046 0.146) 2.051 43.196 ( 0.000 0.889 0.051) 0.890 43.321 ( 0.000 1.091 -1.361) 1.745 43.399 ( 0.000 -0.483 4.587) 4.613 43.980 ( 0.000 1.997 -4.272) 4.716 48.614 ( 0.000 -4.712 3.068) 5.623 48.930 ( 0.000 -3.446 -1.822) 3.899 48.937 ( 0.000 -3.326 1.737) 3.752 49.146 ( 0.000 -4.387 -1.432) 4.614 49.676 ( 0.000 -0.306 1.691) 1.719 49.947 ( 0.000 -0.531 -2.434) 2.491 50.197 ( 0.000 -0.351 0.544) 0.648 50.282 ( 0.000 -1.599 -0.751) 1.767 64.933 ( 0.000 -1.681 1.605) 2.324 65.148 ( 0.000 -5.160 -1.673) 5.424 65.556 ( 0.000 0.203 2.253) 2.262 65.885 ( 0.000 -3.174 -2.905) 4.303 88.458 ( 0.000 0.280 -0.472) 0.549 88.467 ( 0.000 -0.105 -0.504) 0.515 88.501 ( 0.000 0.760 -3.069) 3.161 88.545 ( 0.000 0.308 0.120) 0.330 88.582 ( 0.000 -0.607 -0.220) 0.646 88.590 ( 0.000 -0.895 -2.517) 2.671 88.864 ( 0.000 -0.483 -0.445) 0.656 88.882 ( 0.000 -2.004 -7.726) 7.981 88.928 ( 0.000 -0.185 -1.739) 1.749 88.934 ( 0.000 -1.330 -5.398) 5.559 89.040 ( 0.000 -0.167 1.755) 1.763 89.044 ( 0.000 -0.560 1.688) 1.779 90.097 ( 0.000 -2.655 21.546) 21.709 91.180 ( 0.000 -0.921 3.058) 3.194 91.359 ( 0.000 1.717 -1.995) 2.633 91.757 ( 0.000 -1.927 -3.471) 3.970 ======================= Grid point 134 (54/112) ======================= q-point: ( 0.17 0.46 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.322 ( 3.897 -0.710 10.502) 11.224 2.539 ( 11.962 1.751 1.807) 12.224 2.687 ( 0.024 4.993 1.893) 5.340 2.721 ( 0.692 -1.611 0.467) 1.815 2.790 ( 3.930 6.113 5.294) 8.991 2.821 ( 3.028 -2.301 4.317) 5.753 3.001 ( -5.970 1.883 3.850) 7.349 3.145 ( 3.599 3.628 -6.732) 8.452 3.306 ( 0.358 2.615 0.702) 2.731 3.391 ( 0.616 -2.676 -0.781) 2.855 3.460 ( -1.585 -1.176 -6.500) 6.793 3.599 ( 9.439 -1.280 1.818) 9.698 3.720 ( 1.061 7.191 -11.547) 13.645 3.928 ( 0.326 -8.080 2.736) 8.537 4.001 ( 2.852 0.947 1.510) 3.363 4.171 ( -0.930 2.557 2.669) 3.812 4.483 ( -6.453 11.585 11.291) 17.417 4.871 ( -7.080 -16.202 -1.208) 17.722 5.353 ( 1.028 1.842 -17.459) 17.586 5.617 ( -2.196 -2.364 -4.258) 5.342 5.946 ( 4.295 -0.479 10.030) 10.922 6.131 ( -0.243 -1.908 4.585) 4.972 6.498 ( 3.350 6.882 -2.441) 8.034 6.555 ( 2.388 1.506 -2.370) 3.686 6.735 ( -2.572 0.673 0.552) 2.715 6.933 ( -0.495 -4.740 4.377) 6.470 7.161 ( -6.804 4.534 -0.275) 8.181 7.420 ( 3.648 1.853 0.289) 4.102 7.580 ( -5.811 -5.777 -4.199) 9.207 7.593 ( -2.644 -5.192 -2.079) 6.186 8.037 ( 2.709 -0.881 -0.167) 2.853 8.198 ( -0.265 0.264 -2.623) 2.650 14.506 ( 3.364 -2.031 3.588) 5.322 14.930 ( -3.418 -0.994 0.761) 3.640 14.974 ( 0.804 -0.201 -3.208) 3.313 15.086 ( -0.709 -1.781 -1.173) 2.248 15.532 ( 3.983 -1.174 1.187) 4.319 15.725 ( 1.312 -1.208 -2.017) 2.693 15.874 ( -1.067 -1.567 1.515) 2.427 16.057 ( -5.142 -0.201 -1.369) 5.325 16.208 ( 0.215 0.575 3.317) 3.373 16.253 ( 1.938 4.745 0.818) 5.190 16.339 ( 1.273 -3.235 -0.348) 3.493 16.686 ( -3.228 1.438 -3.910) 5.270 18.727 ( 0.093 -0.006 0.019) 0.095 18.732 ( 0.075 -0.024 -0.025) 0.082 18.782 ( 0.000 0.115 0.213) 0.242 18.798 ( -0.209 0.182 -0.058) 0.283 19.733 ( 1.147 -0.049 0.790) 1.393 19.844 ( -0.672 0.301 -0.907) 1.168 20.179 ( 0.591 0.053 0.890) 1.070 20.267 ( -0.824 0.056 -0.487) 0.959 41.591 ( -0.746 0.051 -0.020) 0.748 41.592 ( -0.691 0.127 -0.032) 0.703 41.764 ( -0.044 0.007 0.420) 0.423 41.783 ( -0.284 -0.057 0.385) 0.481 42.335 ( 6.407 0.603 2.874) 7.048 42.563 ( 3.073 2.299 1.221) 4.027 42.757 ( 2.024 1.264 -1.013) 2.592 42.916 ( 1.393 3.509 -1.981) 4.264 43.001 ( -2.642 1.528 1.039) 3.224 43.030 ( -3.715 3.342 0.439) 5.016 43.090 ( -2.518 0.869 -1.282) 2.956 43.145 ( -4.408 1.773 0.480) 4.775 43.213 ( 1.587 0.781 0.522) 1.844 43.361 ( 1.827 0.353 -0.007) 1.861 43.401 ( 2.158 0.483 2.728) 3.512 43.937 ( -4.458 1.925 -4.037) 6.315 48.638 ( 2.491 -4.597 2.988) 6.022 48.917 ( -2.042 -3.424 1.767) 4.361 48.951 ( 2.128 -3.473 -1.764) 4.439 49.137 ( -0.929 -4.315 -1.496) 4.661 49.711 ( 3.696 -0.309 1.579) 4.031 49.964 ( 1.787 -0.612 -2.275) 2.957 50.163 ( -3.557 -0.355 0.592) 3.623 50.254 ( -2.812 -1.535 -0.812) 3.304 64.958 ( 2.459 -1.913 1.365) 3.401 65.142 ( -0.605 -4.852 -1.454) 5.101 65.575 ( 1.969 -0.170 1.930) 2.763 65.859 ( -2.660 -3.076 -2.509) 4.779 88.417 ( -3.258 0.311 -1.275) 3.512 88.432 ( -4.343 0.057 -1.775) 4.692 88.491 ( 2.181 0.411 -0.179) 2.226 88.583 ( 0.637 0.094 0.281) 0.702 88.608 ( 3.067 0.216 -1.340) 3.354 88.617 ( 1.906 -0.658 -1.035) 2.266 88.836 ( -1.375 -0.869 -4.539) 4.822 88.857 ( -1.679 -3.189 -5.635) 6.689 88.959 ( 2.346 -0.172 -1.738) 2.924 88.963 ( 1.857 -0.329 -2.082) 2.809 89.069 ( 2.825 -0.178 0.854) 2.957 89.089 ( 4.200 -1.227 1.698) 4.693 90.139 ( 4.662 -2.253 19.798) 20.464 91.108 ( -8.282 -1.226 4.304) 9.413 91.352 ( 0.095 2.306 -3.247) 3.983 91.717 ( -4.042 -2.113 -3.518) 5.760 ======================= Grid point 135 (55/112) ======================= q-point: ( 0.33 0.46 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.429 ( 7.143 0.092 8.709) 11.264 2.656 ( -0.359 6.642 1.501) 6.819 2.705 ( 0.195 4.337 2.420) 4.970 2.782 ( 2.656 -1.601 2.912) 4.254 2.832 ( 0.474 -5.805 2.459) 6.322 2.842 ( -2.417 -3.080 3.285) 5.110 3.042 ( 14.987 2.278 3.739) 15.614 3.207 ( 2.984 4.836 -5.173) 7.684 3.329 ( 0.320 4.200 0.390) 4.230 3.404 ( 0.601 -2.112 -2.348) 3.215 3.459 ( 2.704 1.004 -9.505) 9.933 3.683 ( -2.515 6.551 -7.493) 10.266 3.797 ( 6.189 3.577 4.287) 8.335 3.963 ( 2.976 -9.565 1.281) 10.099 4.046 ( 1.585 2.053 4.486) 5.182 4.121 ( -4.228 2.756 2.105) 5.469 4.361 ( -3.588 5.095 8.517) 10.553 4.691 ( -11.339 -11.689 -0.517) 16.294 5.396 ( 3.686 0.704 -16.977) 17.387 5.568 ( -3.327 -2.847 -13.170) 13.879 6.028 ( 3.660 -0.975 11.762) 12.357 6.119 ( -0.834 -0.254 11.532) 11.564 6.561 ( 2.453 4.535 -3.651) 6.318 6.622 ( 2.812 6.748 -1.441) 7.451 6.711 ( 2.931 1.042 -0.722) 3.194 6.940 ( 2.025 -8.419 -0.971) 8.713 7.033 ( -6.546 3.097 -1.441) 7.383 7.309 ( -14.169 -6.984 -5.510) 16.730 7.529 ( 2.451 0.229 2.999) 3.880 7.591 ( -0.202 -0.037 1.545) 1.559 8.095 ( 3.189 -1.507 -0.396) 3.550 8.186 ( -1.154 -0.563 -1.684) 2.118 14.594 ( 5.730 -1.476 2.854) 6.570 14.841 ( -5.762 -1.511 1.569) 6.160 14.993 ( 1.106 0.452 -3.259) 3.472 15.069 ( -0.991 -2.387 -1.305) 2.895 15.636 ( 6.833 -0.780 0.820) 6.926 15.757 ( 1.917 -0.836 -1.264) 2.443 15.847 ( -1.716 -1.913 1.239) 2.853 15.936 ( -7.367 -0.790 -0.519) 7.428 16.214 ( 0.386 2.578 1.704) 3.114 16.273 ( 0.202 2.079 1.849) 2.790 16.390 ( 4.084 -1.403 -1.156) 4.470 16.605 ( -5.091 0.168 -2.683) 5.757 18.729 ( 0.139 0.033 0.021) 0.144 18.733 ( 0.029 -0.055 0.018) 0.064 18.783 ( 0.120 0.146 0.109) 0.218 18.793 ( -0.327 0.181 -0.048) 0.377 19.761 ( 1.782 0.122 0.368) 1.824 19.825 ( -1.313 0.322 -0.599) 1.479 20.195 ( 1.108 0.034 0.545) 1.236 20.246 ( -1.341 0.032 -0.247) 1.364 41.576 ( -0.692 0.121 -0.013) 0.703 41.577 ( -0.722 0.149 -0.033) 0.738 41.764 ( 0.034 0.151 0.343) 0.376 41.776 ( -0.352 -0.143 0.403) 0.554 42.498 ( 10.283 1.065 2.038) 10.537 42.640 ( 4.694 2.334 1.125) 5.362 42.808 ( 3.187 1.162 -0.349) 3.410 42.916 ( -4.750 2.005 -0.241) 5.162 42.944 ( -3.762 3.663 0.762) 5.306 42.963 ( -0.019 3.375 -1.720) 3.788 42.997 ( -6.244 -0.382 0.086) 6.256 43.070 ( -3.130 1.793 -0.255) 3.616 43.251 ( 2.364 0.561 1.335) 2.772 43.343 ( -2.095 -0.004 2.905) 3.581 43.511 ( 7.695 1.307 -1.479) 7.944 43.822 ( -7.518 1.736 -3.407) 8.434 48.702 ( 4.076 -4.277 2.740) 6.512 48.862 ( -3.643 -3.706 2.084) 5.599 49.004 ( 3.163 -3.547 -1.828) 5.091 49.110 ( -1.935 -4.159 -1.613) 4.863 49.808 ( 6.349 -0.318 1.291) 6.487 50.014 ( 3.414 -0.814 -1.885) 3.984 50.069 ( -6.113 -0.366 0.753) 6.170 50.183 ( -4.555 -1.360 -1.011) 4.860 65.016 ( 3.494 -2.503 0.736) 4.361 65.122 ( -1.648 -4.115 -0.872) 4.518 65.628 ( 3.583 -1.011 1.032) 3.863 65.792 ( -4.269 -2.774 -1.460) 5.296 88.362 ( -2.518 0.184 -1.374) 2.875 88.364 ( -2.373 0.237 -1.903) 3.051 88.530 ( 1.611 2.081 0.134) 2.635 88.593 ( 0.374 -0.372 0.957) 1.093 88.637 ( 0.591 -0.444 -1.809) 1.954 88.653 ( 1.264 -0.378 -0.145) 1.327 88.829 ( 0.294 -2.358 -4.981) 5.519 88.834 ( -0.700 -2.705 -6.152) 6.757 88.994 ( 1.481 0.028 -0.883) 1.724 89.003 ( 1.942 -0.971 0.532) 2.236 89.129 ( 3.010 0.156 0.981) 3.169 89.167 ( 3.380 -2.255 2.051) 4.552 90.283 ( 10.808 -0.783 14.753) 18.306 90.876 ( -15.362 -2.054 6.826) 16.935 91.378 ( 2.473 3.979 -5.330) 7.096 91.621 ( -5.486 -3.245 -3.159) 7.114 ======================= Grid point 136 (56/112) ======================= q-point: (-0.50 0.46 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.567 ( -0.000 3.550 5.816) 6.814 2.582 ( 0.000 2.822 5.962) 6.596 2.689 ( 0.000 3.326 2.348) 4.071 2.789 ( 0.000 -1.410 6.427) 6.580 2.831 ( 0.000 -6.269 -0.655) 6.303 2.846 ( -0.000 -3.375 1.570) 3.722 3.210 ( 0.000 7.119 -3.308) 7.850 3.290 ( 0.000 6.214 -0.462) 6.231 3.343 ( -0.000 -5.798 -4.273) 7.203 3.392 ( -0.000 -2.957 -1.774) 3.449 3.552 ( -0.000 7.095 -8.459) 11.041 3.565 ( 0.000 6.128 -5.432) 8.189 3.851 ( 0.000 5.433 6.955) 8.825 3.984 ( 0.000 -5.925 3.852) 7.067 4.056 ( 0.000 3.020 8.825) 9.327 4.081 ( -0.000 0.655 2.692) 2.771 4.388 ( 0.000 0.307 -3.395) 3.409 4.520 ( -0.000 -10.215 3.848) 10.916 5.475 ( 0.000 -0.817 -16.065) 16.086 5.495 ( -0.000 -1.897 -17.357) 17.461 6.063 ( 0.000 1.539 12.934) 13.025 6.110 ( 0.000 -2.438 13.495) 13.714 6.585 ( 0.000 5.056 -3.170) 5.968 6.625 ( 0.000 4.130 -1.303) 4.331 6.824 ( -0.000 6.383 -5.139) 8.195 6.926 ( 0.000 4.893 0.128) 4.895 7.043 ( 0.000 -12.795 -4.261) 13.486 7.065 ( -0.000 -9.127 -2.489) 9.461 7.561 ( 0.000 1.947 2.575) 3.229 7.583 ( -0.000 -0.299 3.236) 3.250 8.142 ( 0.000 -0.368 -1.122) 1.181 8.159 ( -0.000 -2.074 -0.589) 2.156 14.693 ( 0.000 0.862 1.120) 1.413 14.742 ( -0.000 -3.824 3.307) 5.056 15.007 ( 0.000 1.394 -3.392) 3.667 15.056 ( 0.000 -3.301 -1.203) 3.513 15.761 ( 0.000 0.825 -0.454) 0.941 15.783 ( 0.000 0.627 -0.748) 0.976 15.800 ( -0.000 -2.449 0.960) 2.630 15.830 ( -0.000 -3.383 0.919) 3.506 16.218 ( 0.000 4.160 0.469) 4.186 16.273 ( 0.000 -0.399 3.002) 3.028 16.459 ( 0.000 2.681 -3.368) 4.305 16.527 ( -0.000 -3.103 -0.423) 3.132 18.731 ( 0.000 0.100 -0.003) 0.100 18.733 ( -0.000 -0.119 0.070) 0.138 18.787 ( 0.000 0.190 -0.001) 0.190 18.787 ( -0.000 0.152 0.011) 0.153 19.795 ( 0.000 0.309 -0.156) 0.346 19.796 ( -0.000 0.231 -0.130) 0.265 20.218 ( 0.000 0.147 0.081) 0.168 20.221 ( -0.000 -0.103 0.164) 0.194 41.569 ( -0.000 0.180 -0.030) 0.183 41.569 ( 0.000 0.135 -0.017) 0.136 41.765 ( 0.000 0.359 0.252) 0.438 41.772 ( 0.000 -0.324 0.465) 0.567 42.663 ( -0.000 2.828 0.962) 2.987 42.685 ( -0.000 0.684 1.826) 1.950 42.821 ( 0.000 3.311 -0.539) 3.354 42.850 ( 0.000 1.641 -0.554) 1.732 42.880 ( -0.000 1.969 1.001) 2.208 42.916 ( 0.000 -0.506 1.293) 1.388 43.005 ( -0.000 3.238 -1.641) 3.630 43.020 ( 0.000 1.777 -1.027) 2.053 43.297 ( 0.000 0.405 2.216) 2.253 43.299 ( -0.000 0.206 2.256) 2.266 43.667 ( 0.001 1.520 -2.543) 2.963 43.667 ( -0.001 1.484 -2.534) 2.936 48.776 ( -0.000 -3.220 2.060) 3.823 48.792 ( 0.000 -4.742 2.786) 5.500 49.056 ( -0.000 -3.121 -2.106) 3.765 49.071 ( 0.000 -4.543 -1.412) 4.757 49.936 ( -0.000 -0.062 0.825) 0.828 49.942 ( 0.000 -0.617 1.082) 1.246 50.091 ( -0.000 -0.837 -1.488) 1.707 50.096 ( 0.000 -1.366 -1.239) 1.844 65.078 ( -0.001 -3.268 -0.089) 3.270 65.079 ( 0.001 -3.281 -0.073) 3.281 65.697 ( 0.000 -1.052 -0.462) 1.149 65.716 ( -0.000 -2.994 0.112) 2.996 88.336 ( 0.000 0.462 -1.531) 1.599 88.342 ( 0.000 0.008 -1.828) 1.828 88.545 ( 0.000 3.558 0.172) 3.562 88.597 ( 0.000 -0.966 1.116) 1.476 88.642 ( 0.000 -0.245 -2.060) 2.074 88.663 ( 0.000 -1.416 -0.047) 1.417 88.827 ( 0.000 -2.995 -6.881) 7.504 88.835 ( 0.000 -2.091 -3.929) 4.451 89.009 ( 0.000 0.115 0.337) 0.356 89.023 ( 0.000 -1.524 0.401) 1.576 89.161 ( 0.000 0.721 1.992) 2.118 89.200 ( 0.000 -3.153 2.105) 3.791 90.489 ( 0.000 5.269 7.056) 8.806 90.622 ( -0.000 -7.674 12.835) 14.954 91.416 ( 0.000 7.168 -7.621) 10.462 91.552 ( 0.000 -6.176 -1.657) 6.395 ======================= Grid point 182 (57/112) ======================= q-point: ( 0.00 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.154 ( 0.000 0.000 28.064) 28.064 1.250 ( 0.000 0.000 29.091) 29.091 1.981 ( 0.000 0.000 15.489) 15.489 2.177 ( 0.000 0.000 -22.775) 22.775 2.349 ( 0.000 0.000 5.529) 5.529 2.456 ( 0.000 0.000 8.643) 8.643 2.654 ( 0.000 0.000 -1.019) 1.019 2.793 ( 0.000 0.000 -5.144) 5.144 3.003 ( 0.000 0.000 17.880) 17.880 3.055 ( 0.000 0.000 3.105) 3.105 3.269 ( 0.000 0.000 1.810) 1.810 3.341 ( 0.000 0.000 -1.178) 1.178 3.367 ( 0.000 0.000 -3.617) 3.617 3.673 ( 0.000 0.000 11.736) 11.736 3.987 ( 0.000 0.000 3.571) 3.571 4.026 ( 0.000 0.000 0.101) 0.101 4.170 ( 0.000 0.000 -11.410) 11.410 4.653 ( 0.000 0.000 -38.847) 38.847 5.355 ( 0.000 0.000 15.982) 15.982 5.985 ( 0.000 0.000 10.202) 10.202 6.029 ( 0.000 0.000 -14.933) 14.933 6.325 ( 0.000 0.000 9.950) 9.950 6.430 ( 0.000 0.000 -10.841) 10.841 6.627 ( 0.000 0.000 -5.061) 5.061 6.919 ( 0.000 0.000 8.682) 8.682 7.329 ( 0.000 0.000 5.531) 5.531 7.408 ( 0.000 0.000 1.969) 1.969 7.438 ( 0.000 0.000 -12.210) 12.210 8.022 ( 0.000 0.000 4.344) 4.344 8.241 ( 0.000 0.000 -5.213) 5.213 8.299 ( 0.000 0.000 15.547) 15.547 8.899 ( 0.000 0.000 -11.763) 11.763 15.079 ( 0.000 0.000 2.664) 2.664 15.214 ( 0.000 0.000 -3.604) 3.604 15.382 ( 0.000 0.000 4.814) 4.814 15.605 ( 0.000 0.000 -5.470) 5.470 15.912 ( 0.000 0.000 1.340) 1.340 15.983 ( 0.000 0.000 -2.167) 2.167 16.003 ( 0.000 0.000 2.873) 2.873 16.099 ( 0.000 0.000 1.651) 1.651 16.123 ( 0.000 0.000 -2.680) 2.680 16.141 ( 0.000 0.000 -0.168) 0.168 16.269 ( 0.000 0.000 4.041) 4.041 16.454 ( 0.000 0.000 -4.471) 4.471 18.700 ( 0.000 0.000 0.227) 0.227 18.705 ( 0.000 0.000 0.036) 0.036 18.737 ( 0.000 0.000 0.251) 0.251 18.744 ( 0.000 0.000 -0.106) 0.106 19.771 ( 0.000 0.000 0.143) 0.143 19.777 ( 0.000 0.000 -0.102) 0.102 20.199 ( 0.000 0.000 0.267) 0.267 20.210 ( 0.000 0.000 -0.236) 0.236 41.582 ( 0.000 0.000 -0.795) 0.795 41.587 ( 0.000 0.000 -0.730) 0.730 41.762 ( 0.000 0.000 -0.317) 0.317 41.764 ( 0.000 0.000 -0.357) 0.357 41.815 ( 0.000 0.000 -0.234) 0.234 41.821 ( 0.000 0.000 -0.610) 0.610 42.193 ( 0.000 0.000 2.907) 2.907 42.212 ( 0.000 0.000 9.773) 9.773 42.280 ( 0.000 0.000 -1.223) 1.223 42.597 ( 0.000 0.000 -6.657) 6.657 42.754 ( 0.000 0.000 1.294) 1.294 42.850 ( 0.000 0.000 1.653) 1.653 42.898 ( 0.000 0.000 -3.543) 3.543 42.938 ( 0.000 0.000 -2.360) 2.360 43.212 ( 0.000 0.000 3.986) 3.986 43.392 ( 0.000 0.000 -4.623) 4.623 49.729 ( 0.000 0.000 4.121) 4.121 49.870 ( 0.000 0.000 -1.988) 1.988 49.952 ( 0.000 0.000 8.147) 8.147 50.155 ( 0.000 0.000 -0.308) 0.308 50.181 ( 0.000 0.000 -1.833) 1.833 50.285 ( 0.000 0.000 -7.122) 7.122 50.588 ( 0.000 0.000 4.036) 4.036 50.767 ( 0.000 0.000 -4.197) 4.197 65.820 ( 0.000 0.000 18.746) 18.746 66.684 ( 0.000 0.000 -20.980) 20.980 66.709 ( 0.000 0.000 4.228) 4.228 66.860 ( 0.000 0.000 -2.758) 2.758 88.392 ( 0.000 0.000 -1.241) 1.241 88.407 ( 0.000 0.000 -2.304) 2.304 88.573 ( 0.000 0.000 1.707) 1.707 88.623 ( 0.000 0.000 -0.468) 0.468 88.787 ( 0.000 0.000 0.573) 0.573 88.809 ( 0.000 0.000 0.340) 0.340 88.840 ( 0.000 0.000 -1.550) 1.550 88.856 ( 0.000 0.000 -2.499) 2.499 88.967 ( 0.000 0.000 2.540) 2.540 89.094 ( 0.000 0.000 -2.415) 2.415 89.290 ( 0.000 0.000 5.553) 5.553 89.323 ( 0.000 0.000 4.160) 4.160 91.242 ( 0.000 0.000 6.128) 6.128 91.533 ( 0.000 0.000 -6.347) 6.347 91.716 ( 0.000 0.000 2.581) 2.581 91.877 ( 0.000 0.000 -5.677) 5.677 ======================= Grid point 183 (58/112) ======================= q-point: ( 0.17 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.299 ( 5.440 0.000 27.042) 27.584 1.385 ( 19.410 0.000 20.850) 28.486 2.065 ( 6.670 0.000 3.567) 7.564 2.264 ( 7.285 0.000 -20.040) 21.323 2.334 ( -2.394 0.000 26.098) 26.207 2.412 ( 0.681 0.000 -1.612) 1.750 2.643 ( -0.038 0.000 -2.112) 2.112 2.706 ( -9.293 0.000 2.375) 9.592 3.072 ( 4.012 0.000 13.313) 13.904 3.076 ( 1.652 0.000 -3.935) 4.267 3.185 ( -4.441 0.000 -0.670) 4.491 3.341 ( -1.324 0.000 -2.788) 3.087 3.351 ( 0.215 0.000 -0.789) 0.818 3.639 ( -3.582 0.000 6.485) 7.409 4.083 ( 8.452 0.000 3.396) 9.109 4.091 ( 6.284 0.000 1.493) 6.459 4.235 ( 5.385 0.000 -6.979) 8.815 4.759 ( 10.024 0.000 -33.235) 34.714 5.236 ( -12.566 0.000 17.502) 21.546 5.968 ( -8.000 0.000 -14.729) 16.761 6.021 ( 3.833 0.000 11.033) 11.680 6.304 ( -1.951 0.000 11.594) 11.757 6.449 ( -1.013 0.000 -0.354) 1.073 6.642 ( 1.338 0.000 -4.571) 4.763 6.684 ( -7.242 0.000 -4.661) 8.612 7.091 ( -14.096 0.000 -12.472) 18.822 7.590 ( 12.172 0.000 6.480) 13.790 7.767 ( 8.677 0.000 8.991) 12.495 7.886 ( -4.367 0.000 -3.085) 5.346 8.166 ( -5.110 0.000 -6.167) 8.009 8.381 ( 6.105 0.000 12.426) 13.845 8.855 ( -4.211 0.000 -8.703) 9.669 15.107 ( 2.769 0.000 1.989) 3.409 15.220 ( 0.571 0.000 -3.216) 3.266 15.374 ( -0.658 0.000 4.576) 4.623 15.573 ( -3.240 0.000 -4.709) 5.716 15.922 ( 1.004 0.000 1.137) 1.517 15.985 ( 0.094 0.000 -1.953) 1.956 16.003 ( 0.053 0.000 2.607) 2.608 16.103 ( -1.591 0.000 -1.458) 2.158 16.110 ( 1.143 0.000 1.620) 1.983 16.164 ( 1.948 0.000 -1.219) 2.298 16.257 ( -1.214 0.000 3.817) 4.005 16.432 ( -2.291 0.000 -4.169) 4.756 18.701 ( 0.163 0.000 0.220) 0.274 18.706 ( 0.102 0.000 0.056) 0.117 18.735 ( -0.210 0.000 0.215) 0.300 18.740 ( -0.405 0.000 0.011) 0.405 19.779 ( 0.672 0.000 -0.192) 0.699 19.780 ( 0.326 0.000 -0.089) 0.338 20.194 ( -0.417 0.000 0.508) 0.658 20.207 ( -0.340 0.000 -0.199) 0.393 41.567 ( -1.742 0.000 -0.555) 1.828 41.571 ( -1.130 0.000 -0.981) 1.496 41.742 ( -1.512 0.000 -0.447) 1.576 41.747 ( -1.298 0.000 -0.533) 1.403 41.844 ( 2.841 0.000 0.374) 2.866 41.875 ( 5.259 0.000 -1.260) 5.407 42.183 ( -2.987 0.000 8.867) 9.357 42.221 ( 2.883 0.000 3.442) 4.490 42.322 ( 4.001 0.000 -1.538) 4.286 42.494 ( -8.420 0.000 -1.773) 8.605 42.693 ( -4.749 0.000 -0.147) 4.751 42.826 ( -3.346 0.000 -2.636) 4.260 42.908 ( 1.949 0.000 1.146) 2.260 43.038 ( 6.783 0.000 -4.959) 8.403 43.193 ( -1.899 0.000 3.864) 4.306 43.375 ( -1.763 0.000 -4.769) 5.084 49.750 ( 2.069 0.000 4.246) 4.723 49.896 ( 2.554 0.000 -1.833) 3.144 49.942 ( -0.842 0.000 7.343) 7.391 50.181 ( 2.705 0.000 0.061) 2.706 50.223 ( 4.292 0.000 -2.053) 4.758 50.258 ( -2.761 0.000 -6.715) 7.261 50.558 ( -3.131 0.000 3.850) 4.962 50.729 ( -3.930 0.000 -4.045) 5.640 65.876 ( 5.614 0.000 18.280) 19.123 66.605 ( -7.108 0.000 -1.981) 7.379 66.749 ( 3.075 0.000 -12.689) 13.057 66.882 ( 1.659 0.000 -6.254) 6.470 88.397 ( 0.525 0.000 -1.290) 1.393 88.418 ( 0.558 0.000 -3.112) 3.162 88.530 ( -3.657 0.000 1.716) 4.039 88.579 ( -3.613 0.000 1.292) 3.837 88.702 ( -3.635 0.000 -1.174) 3.820 88.754 ( -3.134 0.000 -1.946) 3.689 88.919 ( 2.792 0.000 -0.369) 2.816 88.943 ( 3.789 0.000 -1.951) 4.262 89.003 ( 4.218 0.000 2.464) 4.885 89.090 ( 1.612 0.000 -0.333) 1.646 89.333 ( 3.474 0.000 4.640) 5.797 89.352 ( 2.716 0.000 4.114) 4.930 91.266 ( 2.246 0.000 5.604) 6.037 91.518 ( -1.684 0.000 -5.072) 5.345 91.718 ( 0.357 0.000 1.512) 1.554 91.851 ( -2.466 0.000 -5.421) 5.956 ======================= Grid point 184 (59/112) ======================= q-point: ( 0.33 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.454 ( 10.701 0.000 22.106) 24.560 1.709 ( 12.063 0.000 11.410) 16.604 2.034 ( -6.336 0.000 16.716) 17.877 2.337 ( 1.210 0.000 -4.724) 4.877 2.351 ( 0.284 0.000 -14.828) 14.831 2.453 ( -14.932 0.000 14.717) 20.965 2.638 ( 20.594 0.000 9.690) 22.760 2.725 ( 7.583 0.000 -8.532) 11.415 3.001 ( -6.655 0.000 -5.024) 8.338 3.077 ( -2.255 0.000 -10.137) 10.385 3.251 ( 5.257 0.000 6.717) 8.530 3.352 ( 1.384 0.000 0.298) 1.416 3.381 ( 4.788 0.000 -1.477) 5.011 3.555 ( -4.339 0.000 -0.987) 4.449 4.225 ( 5.523 0.000 3.988) 6.812 4.226 ( 6.875 0.000 3.359) 7.651 4.331 ( 4.704 0.000 5.710) 7.398 4.808 ( -17.246 0.000 11.545) 20.753 5.086 ( 10.030 0.000 -15.069) 18.102 5.706 ( -17.770 0.000 -12.950) 21.988 6.116 ( 5.583 0.000 11.262) 12.570 6.263 ( -2.178 0.000 9.289) 9.541 6.436 ( 2.722 0.000 3.137) 4.153 6.640 ( -3.043 0.000 -3.681) 4.776 6.750 ( 8.844 0.000 -13.948) 16.516 6.936 ( -1.885 0.000 -16.619) 16.726 7.551 ( -14.644 0.000 8.695) 17.031 7.579 ( -10.423 0.000 5.720) 11.889 8.099 ( 11.097 0.000 -0.366) 11.103 8.173 ( 4.362 0.000 -3.331) 5.488 8.497 ( 6.385 0.000 7.592) 9.920 8.756 ( -6.212 0.000 -3.736) 7.249 15.173 ( 3.842 0.000 0.214) 3.848 15.231 ( 0.478 0.000 -2.268) 2.318 15.368 ( 0.362 0.000 3.459) 3.478 15.492 ( -4.981 0.000 -2.506) 5.576 15.944 ( 1.257 0.000 0.478) 1.345 15.981 ( -0.531 0.000 -1.327) 1.429 16.009 ( 0.754 0.000 1.816) 1.966 16.069 ( -1.980 0.000 -0.505) 2.044 16.140 ( 1.996 0.000 1.784) 2.677 16.209 ( 1.563 0.000 -0.309) 1.593 16.232 ( -0.045 0.000 1.667) 1.668 16.373 ( -3.857 0.000 -3.396) 5.139 18.706 ( 0.267 0.000 0.211) 0.340 18.708 ( 0.163 0.000 0.106) 0.195 18.730 ( -0.279 0.000 0.130) 0.307 18.732 ( -0.409 0.000 0.084) 0.418 19.787 ( 0.383 0.000 -0.106) 0.397 19.790 ( 0.368 0.000 -0.360) 0.515 20.189 ( -0.078 0.000 0.530) 0.536 20.199 ( -0.470 0.000 -0.049) 0.473 41.537 ( -1.085 0.000 -0.889) 1.403 41.546 ( -1.255 0.000 -1.319) 1.820 41.719 ( -0.877 0.000 -0.862) 1.230 41.724 ( -1.033 0.000 -0.941) 1.397 41.916 ( 4.611 0.000 1.992) 5.023 42.004 ( 8.108 0.000 -2.414) 8.460 42.108 ( -4.790 0.000 6.788) 8.308 42.297 ( 5.038 0.000 4.405) 6.692 42.324 ( -7.941 0.000 -2.010) 8.192 42.418 ( 3.536 0.000 0.759) 3.617 42.597 ( -4.425 0.000 -0.789) 4.494 42.731 ( -6.215 0.000 -3.989) 7.385 42.966 ( 3.882 0.000 3.274) 5.078 43.109 ( -1.503 0.000 0.888) 1.746 43.182 ( 3.215 0.000 -2.959) 4.370 43.328 ( -3.129 0.000 -5.115) 5.996 49.798 ( 2.877 0.000 4.796) 5.593 49.900 ( -2.057 0.000 6.205) 6.537 49.981 ( 4.815 0.000 -2.487) 5.419 50.182 ( -4.715 0.000 -5.659) 7.366 50.257 ( 4.851 0.000 1.007) 4.954 50.332 ( 6.942 0.000 -2.576) 7.404 50.477 ( -5.085 0.000 3.267) 6.044 50.626 ( -6.755 0.000 -3.673) 7.689 66.019 ( 9.371 0.000 15.904) 18.460 66.432 ( -10.856 0.000 5.250) 12.059 66.815 ( 3.641 0.000 -14.443) 14.895 66.899 ( -0.117 0.000 -10.682) 10.683 88.408 ( 0.327 0.000 -2.419) 2.441 88.413 ( -0.880 0.000 -3.161) 3.281 88.470 ( -1.903 0.000 3.028) 3.576 88.520 ( -2.703 0.000 3.360) 4.312 88.662 ( -0.660 0.000 -4.346) 4.396 88.704 ( -2.214 0.000 -3.731) 4.338 88.946 ( 0.673 0.000 1.151) 1.333 88.960 ( -0.313 0.000 0.629) 0.702 89.099 ( 4.944 0.000 1.725) 5.236 89.151 ( 2.893 0.000 -0.443) 2.927 89.394 ( 2.666 0.000 4.184) 4.961 89.404 ( 2.296 0.000 3.855) 4.487 91.317 ( 3.177 0.000 4.586) 5.579 91.466 ( -3.730 0.000 -1.727) 4.110 91.732 ( 1.114 0.000 -0.934) 1.454 91.800 ( -2.621 0.000 -4.697) 5.379 ======================= Grid point 185 (60/112) ======================= q-point: (-0.50 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.675 ( -6.853 0.000 14.235) 15.799 1.675 ( 6.853 0.000 14.235) 15.799 2.137 ( -13.525 0.000 18.050) 22.555 2.137 ( 13.525 0.000 18.050) 22.555 2.357 ( -0.190 0.000 -8.569) 8.571 2.357 ( 0.190 0.000 -8.569) 8.571 2.868 ( -4.814 0.000 -7.806) 9.171 2.868 ( 4.814 0.000 -7.806) 9.171 2.969 ( -10.160 0.000 -4.067) 10.944 2.969 ( 10.160 0.000 -4.067) 10.944 3.324 ( -2.835 0.000 -1.965) 3.449 3.324 ( 2.835 0.000 -1.965) 3.449 3.495 ( -1.819 0.000 -0.820) 1.995 3.495 ( 1.819 0.000 -0.820) 1.995 4.300 ( -0.228 0.000 2.106) 2.118 4.300 ( 0.228 0.000 2.106) 2.118 4.456 ( -7.234 0.000 22.023) 23.181 4.456 ( 7.234 0.000 22.023) 23.181 5.371 ( -16.693 0.000 -18.054) 24.588 5.371 ( 16.693 0.000 -18.054) 24.588 6.208 ( -0.933 0.000 9.746) 9.791 6.208 ( 0.933 0.000 9.746) 9.791 6.536 ( -5.593 0.000 -2.713) 6.216 6.536 ( 5.593 0.000 -2.713) 6.216 6.909 ( -1.061 0.000 -13.509) 13.551 6.909 ( 1.061 0.000 -13.509) 13.551 7.407 ( -0.985 0.000 5.612) 5.698 7.407 ( 0.985 0.000 5.612) 5.698 8.215 ( -0.379 0.000 0.705) 0.801 8.215 ( 0.379 0.000 0.705) 0.801 8.627 ( -4.310 0.000 1.442) 4.545 8.627 ( 4.310 0.000 1.442) 4.545 15.227 ( -0.508 0.000 -1.325) 1.419 15.227 ( 0.508 0.000 -1.325) 1.419 15.404 ( -2.995 0.000 0.826) 3.106 15.404 ( 2.995 0.000 0.826) 3.106 15.966 ( -0.697 0.000 -0.454) 0.832 15.966 ( 0.697 0.000 -0.454) 0.832 16.033 ( -1.379 0.000 0.652) 1.525 16.033 ( 1.379 0.000 0.652) 1.525 16.181 ( -0.817 0.000 2.301) 2.442 16.181 ( 0.817 0.000 2.301) 2.442 16.294 ( -1.867 0.000 -2.453) 3.083 16.294 ( 1.867 0.000 -2.453) 3.083 18.710 ( -0.069 0.000 0.189) 0.201 18.710 ( 0.069 0.000 0.189) 0.201 18.727 ( -0.001 0.000 0.066) 0.066 18.727 ( 0.001 0.000 0.066) 0.066 19.792 ( -0.064 0.000 -0.224) 0.233 19.792 ( 0.064 0.000 -0.224) 0.233 20.191 ( -0.179 0.000 0.236) 0.296 20.191 ( 0.179 0.000 0.236) 0.296 41.530 ( -0.199 0.000 -1.340) 1.355 41.530 ( 0.199 0.000 -1.340) 1.355 41.712 ( -0.024 0.000 -1.091) 1.091 41.712 ( 0.024 0.000 -1.091) 1.091 42.011 ( -5.298 0.000 4.237) 6.784 42.011 ( 5.298 0.000 4.237) 6.784 42.165 ( -8.572 0.000 -2.602) 8.958 42.165 ( 8.572 0.000 -2.602) 8.958 42.400 ( -5.143 0.000 4.369) 6.748 42.400 ( 5.143 0.000 4.369) 6.748 42.612 ( -5.565 0.000 -3.694) 6.679 42.612 ( 5.565 0.000 -3.694) 6.679 43.044 ( -4.167 0.000 3.514) 5.451 43.044 ( 4.167 0.000 3.514) 5.451 43.260 ( -4.076 0.000 -5.379) 6.749 43.260 ( 4.076 0.000 -5.379) 6.749 49.853 ( -2.343 0.000 5.645) 6.112 49.853 ( 2.343 0.000 5.645) 6.112 50.082 ( -5.371 0.000 -4.331) 6.899 50.082 ( 5.371 0.000 -4.331) 6.899 50.360 ( -5.524 0.000 2.008) 5.878 50.360 ( 5.524 0.000 2.008) 5.878 50.486 ( -7.565 0.000 -2.875) 8.093 50.486 ( 7.565 0.000 -2.875) 8.093 66.218 ( -10.806 0.000 11.173) 15.544 66.218 ( 10.806 0.000 11.173) 15.544 66.875 ( -0.449 0.000 -13.210) 13.218 66.875 ( 0.449 0.000 -13.210) 13.218 88.404 ( -0.012 0.000 -2.973) 2.973 88.404 ( 0.012 0.000 -2.973) 2.973 88.475 ( -0.703 0.000 3.761) 3.826 88.475 ( 0.703 0.000 3.761) 3.826 88.671 ( -0.430 0.000 -4.877) 4.896 88.671 ( 0.430 0.000 -4.877) 4.896 88.954 ( -0.027 0.000 1.462) 1.462 88.954 ( 0.027 0.000 1.462) 1.462 89.164 ( -0.652 0.000 0.784) 1.020 89.164 ( 0.652 0.000 0.784) 1.020 89.424 ( -0.051 0.000 3.742) 3.743 89.424 ( 0.051 0.000 3.742) 3.743 91.388 ( -1.662 0.000 2.058) 2.645 91.388 ( 1.662 0.000 2.058) 2.645 91.759 ( -0.143 0.000 -3.224) 3.227 91.759 ( 0.143 0.000 -3.224) 3.227 ======================= Grid point 189 (61/112) ======================= q-point: ( 0.00 0.08 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.235 ( 0.000 7.765 26.015) 27.149 1.376 ( 0.000 11.586 23.428) 26.136 2.056 ( 0.000 6.503 7.251) 9.740 2.178 ( 0.000 1.202 -19.729) 19.765 2.387 ( 0.000 3.617 7.618) 8.433 2.568 ( 0.000 9.237 6.124) 11.082 2.655 ( 0.000 0.256 -0.886) 0.922 2.840 ( 0.000 3.783 -3.910) 5.441 2.980 ( 0.000 -0.203 8.845) 8.847 3.135 ( 0.000 4.769 6.699) 8.223 3.231 ( 0.000 -1.914 3.463) 3.957 3.349 ( 0.000 1.693 4.619) 4.920 3.394 ( 0.000 2.420 -5.457) 5.970 3.746 ( 0.000 6.132 9.630) 11.416 3.906 ( 0.000 -6.560 2.298) 6.950 4.010 ( 0.000 -1.713 1.490) 2.271 4.162 ( 0.000 -0.646 -9.528) 9.550 4.733 ( 0.000 6.363 -35.991) 36.549 5.407 ( 0.000 4.902 14.589) 15.391 5.975 ( 0.000 -1.290 3.257) 3.504 6.044 ( 0.000 1.622 -6.961) 7.148 6.341 ( 0.000 1.178 11.936) 11.994 6.421 ( 0.000 -1.086 -9.940) 9.999 6.538 ( 0.000 -3.578 6.251) 7.202 7.099 ( 0.000 9.829 -4.598) 10.851 7.290 ( 0.000 -2.790 5.642) 6.294 7.377 ( 0.000 -4.387 -13.085) 13.801 7.421 ( 0.000 0.510 0.111) 0.522 8.018 ( 0.000 -0.395 4.089) 4.108 8.194 ( 0.000 -9.856 16.050) 18.834 8.218 ( 0.000 -2.141 -4.740) 5.201 8.777 ( 0.000 -10.515 -11.252) 15.401 15.065 ( 0.000 -1.434 2.383) 2.781 15.183 ( 0.000 -2.906 -3.123) 4.266 15.353 ( 0.000 -2.661 4.755) 5.449 15.571 ( 0.000 -3.271 -5.335) 6.259 15.902 ( 0.000 -0.623 1.827) 1.930 15.998 ( 0.000 0.774 -2.532) 2.648 16.008 ( 0.000 0.432 2.254) 2.296 16.058 ( 0.000 -3.318 2.647) 4.244 16.121 ( 0.000 -0.332 -2.880) 2.899 16.148 ( 0.000 0.488 -1.418) 1.500 16.283 ( 0.000 1.399 4.057) 4.291 16.444 ( 0.000 -0.967 -3.358) 3.495 18.703 ( 0.000 0.260 0.023) 0.261 18.706 ( 0.000 0.192 -0.067) 0.204 18.742 ( 0.000 0.401 0.218) 0.457 18.748 ( 0.000 0.346 -0.099) 0.360 19.770 ( 0.000 -0.164 0.221) 0.275 19.778 ( 0.000 0.160 -0.178) 0.239 20.190 ( 0.000 -0.502 0.777) 0.925 20.218 ( 0.000 0.443 -0.739) 0.862 41.583 ( 0.000 0.037 -0.699) 0.700 41.588 ( 0.000 0.078 -0.710) 0.714 41.761 ( 0.000 -0.047 -0.062) 0.078 41.772 ( 0.000 0.700 -0.483) 0.850 41.851 ( 0.000 3.640 -0.041) 3.640 41.869 ( 0.000 4.498 -0.889) 4.585 42.208 ( 0.000 1.472 3.154) 3.480 42.257 ( 0.000 4.352 8.755) 9.777 42.303 ( 0.000 2.270 -1.385) 2.659 42.613 ( 0.000 1.649 -5.297) 5.547 42.764 ( 0.000 1.224 2.116) 2.444 42.873 ( 0.000 2.199 1.573) 2.703 42.914 ( 0.000 1.554 -3.033) 3.408 42.957 ( 0.000 1.867 -2.282) 2.948 43.245 ( 0.000 3.104 3.308) 4.536 43.405 ( 0.000 1.300 -4.277) 4.470 49.710 ( 0.000 -1.985 4.006) 4.471 49.841 ( 0.000 -2.995 -1.711) 3.449 49.913 ( 0.000 -3.812 7.794) 8.676 50.096 ( 0.000 -5.502 0.031) 5.503 50.141 ( 0.000 -3.575 -2.322) 4.263 50.232 ( 0.000 -5.181 -6.811) 8.557 50.555 ( 0.000 -3.096 3.893) 4.974 50.730 ( 0.000 -3.495 -4.128) 5.409 65.771 ( 0.000 -4.777 17.784) 18.414 66.418 ( 0.000 -19.764 15.844) 25.331 66.588 ( 0.000 -9.192 -19.804) 21.833 66.853 ( 0.000 -5.395 -8.601) 10.153 88.390 ( 0.000 -0.097 -1.151) 1.155 88.411 ( 0.000 0.276 -2.341) 2.357 88.573 ( 0.000 -0.029 1.658) 1.658 88.623 ( 0.000 0.017 -0.562) 0.562 88.712 ( 0.000 -4.361 4.005) 5.922 88.843 ( 0.000 0.330 -1.463) 1.499 88.861 ( 0.000 0.480 -2.459) 2.505 88.895 ( 0.000 3.695 -4.067) 5.494 89.007 ( 0.000 3.988 1.269) 4.185 89.048 ( 0.000 -4.047 -1.730) 4.401 89.279 ( 0.000 -1.065 5.410) 5.514 89.314 ( 0.000 -0.908 3.947) 4.050 90.955 ( 0.000 -25.876 0.987) 25.895 91.049 ( 0.000 -14.611 -1.803) 14.722 91.895 ( 0.000 6.644 8.074) 10.457 92.297 ( 0.000 18.628 -8.519) 20.483 ======================= Grid point 190 (62/112) ======================= q-point: ( 0.17 0.08 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.397 ( 2.693 9.524 22.090) 24.206 1.455 ( 18.730 6.677 19.050) 27.537 2.101 ( 3.027 3.263 -0.384) 4.468 2.249 ( 5.483 1.281 -13.140) 14.296 2.428 ( 5.155 4.918 14.374) 16.043 2.479 ( -5.067 6.369 1.416) 8.261 2.668 ( 1.134 2.633 -0.745) 2.962 2.746 ( -8.641 3.674 1.509) 9.510 3.078 ( 6.365 2.175 6.630) 9.445 3.122 ( -1.111 0.491 -1.155) 1.676 3.192 ( -4.235 3.827 0.622) 5.742 3.288 ( 0.476 -2.409 -1.122) 2.700 3.451 ( 1.895 7.827 2.673) 8.485 3.728 ( -1.935 7.086 5.741) 9.323 3.997 ( 7.998 -6.657 2.362) 10.670 4.066 ( 6.229 -3.097 1.237) 7.065 4.218 ( 4.204 -1.570 -3.711) 5.823 4.823 ( 8.750 5.153 -31.433) 33.033 5.290 ( -12.217 5.065 15.636) 20.479 5.903 ( -8.348 -4.814 -3.619) 10.294 6.047 ( 0.778 1.838 -0.194) 2.005 6.349 ( 0.281 3.007 12.840) 13.190 6.438 ( 0.514 -1.617 -3.875) 4.230 6.491 ( -1.329 -3.455 0.987) 3.831 6.898 ( -11.051 8.118 -5.968) 14.955 7.131 ( -6.810 4.763 -11.719) 14.366 7.570 ( 11.419 -1.840 4.155) 12.290 7.701 ( 11.868 -6.431 5.209) 14.468 7.855 ( -9.291 -3.061 0.186) 9.784 8.119 ( -5.992 -4.665 -4.942) 9.061 8.314 ( 6.542 -5.625 10.820) 13.839 8.754 ( -2.296 -8.770 -8.497) 12.426 15.086 ( 2.029 -2.086 1.655) 3.348 15.182 ( -0.119 -3.461 -2.710) 4.397 15.356 ( 0.390 -1.779 4.346) 4.712 15.542 ( -2.822 -2.884 -4.405) 5.974 15.910 ( 0.624 -0.781 1.583) 1.872 15.974 ( -1.515 -0.303 -0.363) 1.587 16.023 ( 0.542 -0.010 0.293) 0.616 16.057 ( 0.470 -2.783 0.578) 2.881 16.131 ( 0.696 0.699 -1.251) 1.593 16.155 ( 0.749 -0.355 -1.362) 1.594 16.277 ( -0.482 2.091 3.973) 4.516 16.429 ( -1.489 -0.303 -2.931) 3.302 18.704 ( 0.101 0.224 0.036) 0.249 18.707 ( 0.072 0.162 -0.037) 0.181 18.740 ( -0.189 0.416 0.191) 0.495 18.744 ( -0.378 0.378 0.007) 0.534 19.775 ( 0.494 -0.343 -0.021) 0.601 19.780 ( 0.200 0.032 -0.165) 0.261 20.188 ( -0.169 -0.336 0.770) 0.857 20.213 ( -0.443 0.419 -0.579) 0.841 41.568 ( -1.742 0.105 -0.494) 1.814 41.571 ( -1.170 0.032 -0.885) 1.467 41.742 ( -1.530 0.085 -0.143) 1.539 41.757 ( -1.267 0.773 -0.648) 1.620 41.883 ( 2.968 3.702 0.400) 4.762 41.918 ( 5.006 4.174 -1.383) 6.663 42.225 ( -2.560 3.697 7.147) 8.444 42.240 ( 2.621 2.204 4.426) 5.597 42.345 ( 3.955 2.264 -1.628) 4.839 42.521 ( -7.759 2.552 -1.588) 8.321 42.711 ( -4.413 1.850 0.409) 4.802 42.845 ( -3.515 1.805 -2.467) 4.658 42.929 ( 2.209 2.016 1.345) 3.279 43.047 ( 6.587 1.041 -4.188) 7.875 43.224 ( -2.156 2.938 3.347) 4.948 43.388 ( -1.790 1.277 -4.418) 4.935 49.728 ( 1.785 -2.272 4.130) 5.041 49.866 ( 2.458 -3.118 -1.699) 4.318 49.904 ( -0.833 -3.769 7.118) 8.097 50.125 ( 2.923 -5.285 0.365) 6.051 50.183 ( 4.304 -3.577 -2.469) 6.117 50.207 ( -2.545 -4.993 -6.410) 8.515 50.523 ( -3.262 -3.204 3.738) 5.906 50.691 ( -3.962 -3.514 -3.988) 6.629 65.829 ( 5.729 -4.494 16.789) 18.300 66.380 ( -3.117 -17.540 6.716) 19.039 66.650 ( 3.784 -9.420 -12.925) 16.435 66.835 ( -0.829 -6.167 -8.819) 10.793 88.397 ( 0.471 -0.049 -1.379) 1.458 88.411 ( -0.949 -0.601 -2.803) 3.020 88.518 ( -3.737 -0.642 1.285) 4.003 88.575 ( -3.174 -0.628 0.584) 3.288 88.712 ( -0.525 0.684 0.498) 0.996 88.789 ( -3.038 1.959 -2.544) 4.421 88.930 ( 4.640 0.401 -0.616) 4.698 88.942 ( 2.055 -0.554 -0.290) 2.148 89.004 ( -1.456 -0.962 1.331) 2.195 89.064 ( 4.834 0.559 -1.758) 5.174 89.323 ( 3.541 -0.904 5.329) 6.462 89.367 ( 4.704 0.876 3.532) 5.947 91.014 ( 4.895 -25.020 -2.192) 25.589 91.058 ( 1.109 -15.613 -2.139) 15.797 91.864 ( -2.902 6.388 8.257) 10.835 92.223 ( -6.840 16.638 -6.099) 18.995 ======================= Grid point 191 (63/112) ======================= q-point: ( 0.33 0.08 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 236 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.484 ( 6.197 4.616 18.643) 20.181 1.766 ( 11.369 5.452 9.620) 15.859 2.079 ( -3.120 3.926 10.376) 11.524 2.304 ( -0.067 -1.134 -9.029) 9.100 2.430 ( -1.607 5.518 -6.215) 8.465 2.497 ( -9.549 3.768 10.885) 14.962 2.682 ( 13.291 4.125 3.060) 14.249 2.765 ( 8.427 2.649 -1.266) 8.924 3.031 ( -4.091 3.225 -7.369) 9.024 3.137 ( -1.949 4.816 -5.642) 7.670 3.223 ( 5.541 0.627 1.676) 5.823 3.310 ( -0.867 -2.919 -0.579) 3.100 3.511 ( 6.087 12.238 4.957) 14.539 3.687 ( -1.675 9.509 0.439) 9.665 4.149 ( 7.285 -5.716 3.132) 9.775 4.199 ( 5.970 -3.836 2.568) 7.546 4.274 ( 1.580 -4.529 10.224) 11.293 4.891 ( -13.328 6.826 7.032) 16.543 5.122 ( 7.568 3.065 -13.033) 15.380 5.670 ( -15.087 -3.454 -9.573) 18.198 6.069 ( 1.218 -1.241 3.273) 3.706 6.344 ( 0.051 2.901 5.861) 6.539 6.441 ( 2.211 0.348 3.874) 4.474 6.580 ( 7.318 -3.897 -4.036) 9.221 6.713 ( -8.788 1.357 -8.310) 12.171 7.112 ( 3.355 10.913 -11.555) 16.244 7.523 ( -14.254 -1.854 8.953) 16.935 7.592 ( -8.208 0.371 4.640) 9.436 8.006 ( 10.053 -8.569 -2.200) 13.392 8.101 ( 3.940 -7.506 -6.444) 10.648 8.420 ( 4.574 -6.462 9.103) 12.065 8.697 ( -3.505 -5.365 -3.816) 7.459 15.128 ( 1.882 -4.256 -0.037) 4.653 15.185 ( 0.714 -3.889 -2.368) 4.609 15.368 ( 0.893 -0.476 3.487) 3.631 15.476 ( -3.854 -1.610 -1.848) 4.568 15.918 ( 0.269 -1.522 0.616) 1.664 15.947 ( -1.282 -1.338 -0.598) 1.947 16.034 ( 0.884 -1.490 0.458) 1.792 16.076 ( 1.154 -0.290 -0.844) 1.459 16.137 ( -0.109 1.083 0.228) 1.112 16.171 ( 0.643 -2.658 -1.079) 2.939 16.270 ( -0.183 3.548 3.387) 4.909 16.396 ( -1.792 1.696 -1.865) 3.093 18.707 ( 0.156 0.107 0.061) 0.198 18.709 ( 0.136 0.111 -0.000) 0.176 18.735 ( -0.262 0.457 0.139) 0.545 18.736 ( -0.334 0.443 0.094) 0.563 19.783 ( 0.251 -0.448 -0.151) 0.535 19.785 ( 0.278 -0.343 -0.220) 0.493 20.187 ( 0.064 -0.074 0.561) 0.570 20.204 ( -0.539 0.336 -0.273) 0.691 41.537 ( -1.210 0.019 -0.673) 1.384 41.546 ( -1.256 0.001 -1.183) 1.725 41.717 ( -0.973 0.106 -0.449) 1.077 41.734 ( -0.934 0.802 -1.000) 1.587 41.956 ( 4.644 3.818 1.816) 6.280 42.042 ( 7.808 3.681 -2.439) 8.970 42.150 ( -4.802 4.037 6.194) 8.816 42.320 ( 5.277 2.242 4.437) 7.250 42.356 ( -7.540 3.105 -2.115) 8.424 42.443 ( 3.507 2.413 0.626) 4.303 42.619 ( -4.451 2.114 -0.394) 4.943 42.750 ( -6.174 1.764 -3.627) 7.375 42.991 ( 4.014 2.311 3.082) 5.564 43.134 ( -0.305 2.283 -0.488) 2.355 43.194 ( 1.971 1.303 -1.327) 2.710 43.340 ( -3.219 1.172 -4.742) 5.850 49.770 ( 2.406 -2.947 4.620) 5.984 49.869 ( -1.780 -3.130 6.175) 7.148 49.943 ( 4.518 -3.866 -2.561) 6.474 50.135 ( -4.300 -4.600 -5.315) 8.240 50.207 ( 5.139 -4.660 1.188) 7.038 50.294 ( 7.007 -3.553 -2.842) 8.355 50.439 ( -5.377 -3.545 3.243) 7.212 50.588 ( -6.793 -3.563 -3.667) 8.502 65.966 ( 8.418 -5.060 13.800) 16.939 66.295 ( -6.316 -12.340 4.759) 14.656 66.671 ( -0.640 -10.983 -9.096) 14.275 66.858 ( 2.433 -6.319 -11.339) 13.207 88.356 ( -3.233 -3.741 -1.319) 5.117 88.404 ( -0.370 -0.147 -3.567) 3.589 88.480 ( -0.709 0.904 0.868) 1.440 88.533 ( -1.230 -0.217 1.908) 2.280 88.703 ( -0.141 3.659 -2.248) 4.296 88.749 ( -1.347 2.906 -2.433) 4.022 88.927 ( -1.148 -1.432 2.333) 2.968 88.972 ( 0.191 -0.527 0.410) 0.695 89.064 ( 4.860 -1.642 1.327) 5.299 89.152 ( 3.398 1.365 -1.926) 4.138 89.392 ( 3.361 -0.149 5.584) 6.520 89.449 ( 3.389 2.969 3.335) 5.606 91.071 ( 1.484 -18.069 -2.430) 18.292 91.108 ( 2.861 -22.089 -5.906) 23.044 91.808 ( -2.511 5.562 8.225) 10.242 92.091 ( -5.978 12.599 -2.958) 14.256 ======================= Grid point 192 (64/112) ======================= q-point: (-0.50 0.08 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.571 ( 0.000 -0.338 15.209) 15.212 1.827 ( -0.000 7.257 7.350) 10.329 2.137 ( 0.000 2.614 9.608) 9.957 2.221 ( -0.000 1.976 15.152) 15.280 2.365 ( 0.000 6.139 -7.513) 9.702 2.435 ( 0.000 4.197 -2.826) 5.059 2.829 ( 0.000 -0.489 -6.681) 6.698 2.878 ( -0.000 -0.394 -9.446) 9.454 3.036 ( 0.000 4.938 -0.576) 4.972 3.094 ( -0.000 10.132 -4.326) 11.016 3.260 ( 0.000 -4.310 -2.409) 4.938 3.292 ( 0.000 0.569 -2.331) 2.399 3.607 ( 0.000 12.284 2.046) 12.453 3.673 ( -0.000 10.694 -0.229) 10.696 4.233 ( 0.000 -5.441 5.568) 7.785 4.259 ( 0.000 -4.213 2.079) 4.698 4.285 ( -0.000 -7.140 20.938) 22.122 4.672 ( 0.000 10.734 19.223) 22.017 5.341 ( 0.000 -0.896 -21.539) 21.558 5.411 ( -0.000 1.061 -12.146) 12.192 6.082 ( 0.000 -3.169 3.784) 4.936 6.347 ( 0.000 3.321 3.631) 4.920 6.506 ( 0.000 -1.268 0.521) 1.371 6.581 ( 0.000 1.884 -4.863) 5.215 6.679 ( 0.000 -6.328 -4.909) 8.009 7.183 ( 0.000 12.214 -10.001) 15.786 7.343 ( -0.000 -2.623 7.867) 8.292 7.477 ( 0.000 3.172 2.334) 3.938 8.098 ( 0.000 -8.695 -0.328) 8.701 8.159 ( 0.000 -8.711 -5.060) 10.074 8.472 ( 0.000 -8.832 6.988) 11.262 8.652 ( -0.000 -2.266 -0.922) 2.446 15.144 ( 0.000 -5.784 -0.636) 5.819 15.200 ( 0.000 -3.968 -3.222) 5.111 15.384 ( 0.000 -0.846 2.725) 2.854 15.426 ( 0.000 0.309 0.533) 0.616 15.923 ( 0.000 -1.699 -0.249) 1.717 15.931 ( 0.000 -2.157 -0.554) 2.227 16.046 ( 0.000 -1.461 0.413) 1.518 16.089 ( 0.000 1.619 -1.157) 1.991 16.134 ( 0.000 -0.265 0.850) 0.891 16.176 ( 0.000 -3.841 -0.606) 3.888 16.270 ( 0.000 3.793 2.582) 4.588 16.375 ( 0.000 3.417 -1.107) 3.591 18.709 ( 0.000 0.002 0.066) 0.066 18.711 ( 0.000 0.090 0.020) 0.092 18.732 ( 0.000 0.487 0.131) 0.504 18.733 ( 0.000 0.505 0.084) 0.512 19.785 ( 0.000 -0.532 -0.149) 0.552 19.788 ( 0.000 -0.460 -0.239) 0.518 20.189 ( 0.000 0.046 0.274) 0.278 20.197 ( -0.000 0.274 0.004) 0.274 41.526 ( -0.000 -0.118 -0.963) 0.971 41.532 ( 0.000 0.031 -1.276) 1.276 41.708 ( 0.000 0.098 -0.599) 0.607 41.725 ( 0.000 0.826 -1.153) 1.419 42.047 ( -0.000 3.468 3.009) 4.592 42.056 ( 0.000 4.348 4.689) 6.394 42.186 ( -0.000 2.719 -3.096) 4.120 42.214 ( 0.000 4.035 -1.882) 4.452 42.421 ( -0.000 2.363 4.510) 5.091 42.432 ( 0.000 2.825 3.953) 4.859 42.631 ( -0.000 1.856 -3.459) 3.926 42.633 ( 0.000 1.836 -3.433) 3.893 43.068 ( 0.000 2.423 3.291) 4.087 43.074 ( -0.000 2.717 3.154) 4.163 43.268 ( 0.000 0.932 -4.814) 4.903 43.271 ( -0.000 0.979 -5.022) 5.117 49.804 ( 0.000 -3.985 5.244) 6.586 49.841 ( -0.000 -2.249 5.679) 6.108 50.023 ( -0.000 -5.022 -4.427) 6.694 50.057 ( 0.000 -3.410 -3.881) 5.166 50.309 ( -0.000 -4.361 2.100) 4.840 50.326 ( 0.000 -3.540 2.220) 4.178 50.438 ( -0.000 -4.075 -3.097) 5.118 50.455 ( 0.000 -3.271 -2.977) 4.423 66.108 ( 0.000 -8.305 8.071) 11.580 66.172 ( -0.000 -6.467 10.227) 12.101 66.663 ( 0.000 -13.060 -8.920) 15.815 66.885 ( 0.000 -5.528 -12.150) 13.348 88.322 ( 0.000 -4.443 -1.012) 4.557 88.396 ( 0.000 -0.913 -4.934) 5.018 88.479 ( -0.000 1.202 1.557) 1.967 88.520 ( 0.000 0.523 2.918) 2.965 88.704 ( 0.000 4.481 -3.434) 5.645 88.736 ( 0.000 3.476 -2.500) 4.282 88.915 ( 0.000 -2.075 3.035) 3.677 88.974 ( 0.000 -0.649 0.478) 0.806 89.116 ( 0.000 -1.345 1.038) 1.699 89.182 ( 0.000 1.508 -1.002) 1.811 89.428 ( 0.000 0.384 5.305) 5.319 89.482 ( 0.000 3.766 3.241) 4.969 91.087 ( 0.000 -18.931 -3.094) 19.182 91.133 ( 0.000 -20.682 -6.062) 21.553 91.783 ( 0.000 4.914 7.850) 9.261 92.030 ( 0.000 10.576 -1.911) 10.747 ======================= Grid point 196 (65/112) ======================= q-point: ( 0.00 0.15 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.456 ( 0.000 13.350 21.689) 25.468 1.679 ( 0.000 16.939 13.127) 21.430 2.202 ( 0.000 7.055 -5.995) 9.258 2.252 ( 0.000 6.064 -16.419) 17.503 2.485 ( 0.000 5.439 9.689) 11.111 2.673 ( 0.000 1.688 -1.643) 2.356 2.758 ( 0.000 7.848 4.271) 8.935 2.891 ( 0.000 0.224 -0.625) 0.663 3.001 ( 0.000 1.998 4.744) 5.147 3.195 ( 0.000 1.368 -1.369) 1.935 3.269 ( 0.000 6.736 3.258) 7.483 3.451 ( 0.000 7.307 14.152) 15.927 3.478 ( 0.000 6.122 -7.027) 9.320 3.757 ( 0.000 -7.412 2.362) 7.780 3.884 ( 0.000 6.618 6.141) 9.029 3.976 ( 0.000 -0.394 6.977) 6.988 4.149 ( 0.000 -0.511 -5.827) 5.849 4.860 ( 0.000 5.305 -29.068) 29.548 5.543 ( 0.000 8.016 11.039) 13.642 5.925 ( 0.000 -3.786 -0.546) 3.826 6.092 ( 0.000 2.790 -0.397) 2.818 6.345 ( 0.000 -1.167 14.087) 14.135 6.377 ( 0.000 -3.255 -7.480) 8.158 6.542 ( 0.000 3.464 8.682) 9.348 7.062 ( 0.000 -11.677 -4.924) 12.673 7.239 ( 0.000 -2.077 4.593) 5.041 7.398 ( 0.000 3.418 -19.214) 19.515 7.418 ( 0.000 -0.639 -2.805) 2.877 7.936 ( 0.000 -13.630 17.600) 22.260 8.006 ( 0.000 -0.744 3.364) 3.446 8.164 ( 0.000 -2.805 -3.745) 4.679 8.535 ( 0.000 -12.169 -12.799) 17.661 15.017 ( 0.000 -3.533 1.843) 3.985 15.103 ( 0.000 -4.543 -2.164) 5.032 15.282 ( 0.000 -4.109 4.221) 5.891 15.477 ( 0.000 -5.643 -4.809) 7.414 15.883 ( 0.000 -1.998 1.919) 2.771 15.967 ( 0.000 -3.465 -0.294) 3.478 16.009 ( 0.000 -0.981 2.411) 2.603 16.019 ( 0.000 0.637 0.793) 1.017 16.106 ( 0.000 -1.183 -3.028) 3.251 16.173 ( 0.000 2.204 -3.787) 4.381 16.326 ( 0.000 2.630 3.432) 4.324 16.418 ( 0.000 -1.329 -0.579) 1.450 18.709 ( 0.000 0.313 -0.140) 0.343 18.712 ( 0.000 0.328 -0.327) 0.463 18.752 ( 0.000 0.587 0.153) 0.607 18.757 ( 0.000 0.467 -0.029) 0.468 19.765 ( 0.000 -0.268 0.443) 0.518 19.783 ( 0.000 0.343 -0.398) 0.526 20.183 ( 0.000 -0.142 1.054) 1.064 20.226 ( 0.000 0.411 -1.124) 1.197 41.583 ( 0.000 0.040 -0.449) 0.451 41.589 ( 0.000 0.061 -0.564) 0.567 41.761 ( 0.000 0.081 0.410) 0.418 41.787 ( 0.000 0.687 -0.496) 0.848 41.960 ( 0.000 6.763 0.341) 6.772 41.998 ( 0.000 7.872 -1.447) 8.003 42.253 ( 0.000 2.995 3.738) 4.789 42.369 ( 0.000 4.054 -1.794) 4.433 42.384 ( 0.000 7.854 6.551) 10.228 42.668 ( 0.000 3.775 -3.251) 4.982 42.813 ( 0.000 3.534 2.816) 4.518 42.935 ( 0.000 3.786 1.372) 4.027 42.956 ( 0.000 2.438 -1.851) 3.060 43.011 ( 0.000 3.326 -2.100) 3.933 43.329 ( 0.000 4.622 1.995) 5.034 43.449 ( 0.000 3.155 -3.607) 4.792 49.633 ( 0.000 -6.210 3.436) 7.097 49.733 ( 0.000 -7.848 -1.180) 7.936 49.794 ( 0.000 -7.905 6.839) 10.453 49.954 ( 0.000 -7.440 1.243) 7.543 50.057 ( 0.000 -4.092 -3.455) 5.356 50.074 ( 0.000 -10.183 -6.016) 11.827 50.472 ( 0.000 -4.703 3.566) 5.902 50.635 ( 0.000 -5.499 -3.889) 6.735 65.633 ( 0.000 -8.403 15.146) 17.321 66.055 ( 0.000 -14.497 19.662) 24.429 66.325 ( 0.000 -15.991 -16.649) 23.085 66.654 ( 0.000 -12.814 -11.083) 16.942 88.392 ( 0.000 0.305 -0.977) 1.024 88.417 ( 0.000 0.384 -2.281) 2.313 88.571 ( 0.000 -0.159 1.519) 1.528 88.609 ( 0.000 -5.512 3.520) 6.540 88.622 ( 0.000 -0.199 -0.729) 0.756 88.852 ( 0.000 0.527 -1.263) 1.369 88.873 ( 0.000 0.598 -2.342) 2.417 88.884 ( 0.000 -6.736 -8.565) 10.897 88.976 ( 0.000 0.624 4.674) 4.715 89.111 ( 0.000 3.794 -1.407) 4.046 89.247 ( 0.000 -2.017 4.945) 5.340 89.285 ( 0.000 -1.990 3.396) 3.936 90.638 ( 0.000 -5.681 -4.194) 7.062 90.768 ( 0.000 -11.661 -6.091) 13.157 91.950 ( 0.000 -1.748 15.289) 15.388 92.465 ( 0.000 -0.932 -3.997) 4.104 ======================= Grid point 197 (66/112) ======================= q-point: ( 0.17 0.15 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.645 ( 16.078 11.709 15.864) 25.442 1.673 ( 0.497 16.453 12.103) 20.431 2.195 ( -0.492 5.830 -5.141) 7.789 2.323 ( 3.861 5.587 -14.429) 15.948 2.523 ( 4.401 4.358 5.630) 8.370 2.593 ( -4.755 4.443 2.457) 6.956 2.736 ( -0.600 2.804 3.170) 4.274 2.843 ( -4.927 5.576 0.744) 7.478 3.102 ( 3.594 -0.320 0.453) 3.637 3.169 ( 3.064 4.655 2.227) 6.002 3.268 ( -3.122 3.119 2.363) 5.006 3.351 ( -0.361 8.707 -0.985) 8.770 3.655 ( 9.447 11.198 6.557) 16.051 3.834 ( 6.584 -7.208 2.199) 10.007 3.877 ( 0.953 4.966 4.606) 6.840 4.004 ( 2.966 -1.298 2.880) 4.333 4.180 ( 2.138 -1.749 1.555) 3.170 4.924 ( 6.482 4.064 -26.465) 27.548 5.427 ( -11.923 7.931 11.439) 18.328 5.800 ( -10.818 -5.068 -1.317) 12.019 6.095 ( 0.297 2.767 -2.093) 3.482 6.335 ( -2.167 -4.540 -5.943) 7.786 6.400 ( 1.709 -0.368 8.629) 8.805 6.539 ( 1.895 5.283 10.576) 11.973 6.944 ( -10.037 -2.663 -5.860) 11.923 7.250 ( 1.647 3.747 -2.741) 4.926 7.509 ( 9.312 -6.626 -8.648) 14.332 7.537 ( 8.156 -6.015 -0.305) 10.138 7.747 ( -12.435 -7.327 8.085) 16.543 8.000 ( -6.255 -5.556 -1.716) 8.540 8.203 ( 5.029 -4.461 4.317) 7.989 8.549 ( 0.925 -10.458 -9.051) 13.862 15.018 ( 0.029 -4.637 1.111) 4.768 15.095 ( -0.571 -4.541 -2.286) 5.116 15.300 ( 1.694 -3.659 4.132) 5.774 15.461 ( -1.547 -4.871 -3.581) 6.240 15.894 ( 0.910 -1.627 1.522) 2.406 15.949 ( -1.667 -2.777 0.291) 3.252 15.991 ( -1.491 -0.762 0.559) 1.766 16.017 ( 0.038 -1.687 -1.005) 1.964 16.121 ( 1.034 -1.104 -1.173) 1.914 16.172 ( -0.241 1.202 -2.600) 2.874 16.341 ( 1.468 3.948 3.222) 5.303 16.421 ( 0.311 -0.372 -0.073) 0.491 18.709 ( 0.052 0.302 -0.149) 0.341 18.712 ( 0.011 0.310 -0.279) 0.417 18.751 ( -0.158 0.599 0.140) 0.635 18.753 ( -0.300 0.518 0.033) 0.600 19.767 ( 0.203 -0.411 0.294) 0.545 19.782 ( -0.120 0.179 -0.367) 0.425 20.184 ( 0.080 -0.041 0.913) 0.917 20.222 ( -0.471 0.409 -0.967) 1.151 41.571 ( -1.619 0.211 -0.394) 1.679 41.572 ( -1.185 0.048 -0.576) 1.318 41.746 ( -1.267 0.338 0.311) 1.348 41.774 ( -1.133 0.874 -0.630) 1.564 41.990 ( 3.013 6.633 0.643) 7.314 42.040 ( 4.343 7.496 -1.744) 8.837 42.287 ( 3.200 3.361 3.826) 6.015 42.350 ( -2.522 7.322 5.866) 9.715 42.412 ( 3.602 4.300 -1.582) 5.828 42.596 ( -6.434 4.724 -1.374) 8.100 42.770 ( -3.921 3.867 1.369) 5.675 42.895 ( -3.832 2.931 -1.904) 5.186 42.987 ( 2.823 3.492 1.600) 4.767 43.083 ( 5.852 2.460 -2.967) 7.007 43.304 ( -2.538 4.521 2.200) 5.632 43.430 ( -1.923 3.025 -3.708) 5.157 49.644 ( 1.033 -6.596 3.567) 7.569 49.756 ( 2.332 -7.966 -1.558) 8.445 49.786 ( -0.797 -7.782 6.555) 10.206 49.988 ( 3.515 -7.125 1.405) 8.067 50.053 ( -2.052 -9.940 -5.574) 11.580 50.097 ( 4.136 -4.299 -3.458) 6.895 50.438 ( -3.519 -4.805 3.473) 6.894 50.596 ( -3.953 -5.453 -3.797) 7.732 65.696 ( 5.971 -8.426 12.933) 16.550 66.027 ( -1.989 -15.284 11.504) 19.233 66.385 ( 4.199 -15.833 -10.251) 19.323 66.634 ( -1.336 -12.590 -9.869) 16.052 88.382 ( -3.639 -1.234 -1.048) 3.983 88.412 ( 0.244 0.612 -2.178) 2.276 88.513 ( -1.024 -0.004 -0.077) 1.026 88.549 ( -3.950 -1.890 -0.141) 4.381 88.704 ( 3.268 -1.525 1.471) 3.894 88.800 ( -2.138 -1.435 -3.042) 3.986 88.904 ( 2.276 -1.673 -1.648) 3.270 88.916 ( 0.656 -2.598 -1.031) 2.871 88.991 ( 2.243 1.887 3.918) 4.894 89.135 ( 3.548 3.281 -2.476) 5.430 89.293 ( 3.870 -2.087 5.899) 7.357 89.371 ( 7.337 -0.748 2.608) 7.822 90.671 ( 3.114 -8.109 -6.798) 11.030 90.752 ( -1.500 -12.952 -6.440) 14.542 91.913 ( -3.564 -2.047 14.999) 15.552 92.380 ( -8.065 -0.427 -2.640) 8.497 ======================= Grid point 198 (67/112) ======================= q-point: ( 0.33 0.15 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 236 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.687 ( 1.541 15.009 9.653) 17.911 1.922 ( 9.608 9.462 6.366) 14.912 2.185 ( 0.031 6.303 2.841) 6.914 2.313 ( -2.954 2.454 -8.776) 9.579 2.542 ( -1.324 5.420 -1.414) 5.756 2.590 ( -2.494 4.811 3.770) 6.602 2.782 ( 4.142 4.113 -5.713) 8.167 2.806 ( 5.738 2.629 3.937) 7.439 3.095 ( -0.428 2.660 -2.592) 3.738 3.234 ( -1.122 2.975 0.800) 3.279 3.289 ( 5.996 5.519 1.880) 8.364 3.355 ( -0.027 7.892 -3.247) 8.534 3.823 ( 7.946 17.342 5.135) 19.755 3.874 ( 1.136 7.460 3.189) 8.192 4.007 ( 8.606 -7.628 3.538) 12.032 4.089 ( 5.261 -5.944 0.767) 7.975 4.187 ( -1.631 -3.131 15.827) 16.216 5.022 ( -4.886 4.523 -6.370) 9.214 5.200 ( -1.976 4.745 -1.952) 5.498 5.579 ( -11.908 -4.946 -6.730) 14.545 6.099 ( 0.143 3.753 -3.194) 4.930 6.312 ( -0.196 -5.151 -8.953) 10.331 6.408 ( 1.171 -0.743 3.098) 3.394 6.629 ( 5.606 5.242 13.115) 15.196 6.743 ( -10.424 0.337 -4.320) 11.289 7.287 ( 1.847 4.999 -1.525) 5.543 7.491 ( -10.089 -1.091 7.623) 12.692 7.572 ( -2.798 -2.741 2.263) 4.523 7.751 ( 9.196 -16.109 -9.276) 20.739 7.905 ( -1.873 -9.520 -8.754) 13.068 8.286 ( 3.144 -5.827 7.994) 10.380 8.558 ( 0.025 -7.751 -4.238) 8.834 15.014 ( -0.388 -6.457 -0.118) 6.469 15.092 ( 0.180 -4.982 -3.370) 6.017 15.333 ( 1.498 -3.092 4.191) 5.420 15.428 ( -1.642 -2.987 -0.723) 3.484 15.902 ( -0.238 -0.193 0.127) 0.332 15.925 ( -1.011 -2.431 -1.096) 2.852 15.970 ( -0.073 -1.972 0.363) 2.006 16.023 ( 0.326 -4.279 -2.567) 5.000 16.133 ( 0.323 -1.201 0.627) 1.393 16.161 ( -0.848 0.112 -0.956) 1.283 16.370 ( 1.318 5.794 3.102) 6.703 16.430 ( 0.536 1.596 0.847) 1.885 18.710 ( 0.065 0.273 -0.156) 0.321 18.713 ( 0.058 0.251 -0.222) 0.340 18.747 ( -0.209 0.635 0.123) 0.680 18.748 ( -0.253 0.599 0.108) 0.659 19.771 ( 0.205 -0.575 0.044) 0.612 19.779 ( -0.174 -0.205 -0.284) 0.391 20.188 ( 0.310 0.164 0.512) 0.621 20.211 ( -0.647 0.356 -0.583) 0.941 41.540 ( -1.329 0.289 -0.391) 1.416 41.547 ( -1.232 0.121 -0.775) 1.461 41.724 ( -0.891 0.591 0.076) 1.071 41.754 ( -0.878 1.041 -0.865) 1.613 42.064 ( 4.688 6.610 1.571) 8.254 42.150 ( 6.929 6.627 -2.403) 9.884 42.267 ( -4.589 7.269 4.907) 9.898 42.387 ( 5.623 4.238 4.377) 8.291 42.446 ( -6.061 5.541 -2.256) 8.517 42.512 ( 3.116 4.177 0.229) 5.216 42.681 ( -4.708 3.970 0.423) 6.173 42.799 ( -6.042 2.980 -2.731) 7.270 43.056 ( 4.315 3.854 2.591) 6.339 43.187 ( 3.802 2.660 -3.111) 5.586 43.246 ( -2.362 3.734 1.735) 4.746 43.378 ( -3.511 2.678 -3.917) 5.903 49.667 ( 1.306 -7.431 4.019) 8.549 49.766 ( -1.134 -7.229 5.868) 9.380 49.817 ( 3.804 -8.570 -2.656) 9.746 49.994 ( -3.546 -9.215 -4.603) 10.894 50.086 ( 6.098 -6.500 1.965) 9.126 50.204 ( 6.881 -4.706 -3.453) 9.023 50.346 ( -5.976 -5.138 3.186) 8.501 50.493 ( -6.746 -5.329 -3.614) 9.326 65.821 ( 6.444 -9.004 8.579) 14.007 65.996 ( -1.475 -15.222 4.548) 15.956 66.410 ( -1.517 -14.203 -4.092) 14.858 66.643 ( 2.180 -13.730 -8.547) 16.320 88.292 ( -4.124 -2.305 -1.049) 4.840 88.403 ( -2.014 -0.328 -5.445) 5.814 88.493 ( -0.192 -0.082 1.091) 1.111 88.523 ( 0.146 0.178 0.575) 0.619 88.746 ( 1.459 -0.329 0.634) 1.624 88.785 ( -0.064 0.158 -1.272) 1.284 88.897 ( -0.544 -1.230 0.408) 1.406 88.930 ( -0.470 -2.042 -0.579) 2.174 89.081 ( 6.018 2.820 3.274) 7.409 89.214 ( 3.355 3.094 -1.585) 4.831 89.369 ( 3.749 -2.263 7.319) 8.529 89.498 ( 5.205 1.365 2.235) 5.827 90.720 ( -1.556 -15.491 -7.161) 17.137 90.732 ( 2.633 -12.509 -10.721) 16.684 91.840 ( -3.474 -2.776 14.224) 14.903 92.217 ( -7.777 -0.004 -0.593) 7.799 ======================= Grid point 199 (68/112) ======================= q-point: (-0.50 0.15 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.708 ( 0.000 13.345 7.738) 15.426 1.992 ( -0.000 9.040 2.376) 9.347 2.221 ( 0.000 5.389 4.251) 6.864 2.258 ( -0.000 3.340 -1.462) 3.646 2.532 ( -0.029 5.439 -0.541) 5.466 2.532 ( 0.029 8.108 3.100) 8.680 2.841 ( 0.000 1.444 -4.884) 5.093 2.878 ( 0.000 0.498 -10.897) 10.909 3.142 ( -0.000 5.173 2.529) 5.758 3.185 ( 0.000 0.182 2.282) 2.289 3.350 ( 0.000 10.970 -3.509) 11.518 3.357 ( -0.000 5.109 -3.112) 5.982 3.890 ( 0.000 9.678 2.858) 10.091 3.905 ( 0.000 13.270 0.148) 13.271 4.119 ( -0.000 -7.609 5.332) 9.291 4.147 ( 0.000 -6.112 2.910) 6.769 4.164 ( 0.000 0.514 23.409) 23.415 4.861 ( 0.000 6.694 14.051) 15.564 5.329 ( 0.000 -0.132 -21.532) 21.533 5.388 ( -0.000 -3.350 -5.709) 6.620 6.100 ( 0.000 4.580 -3.381) 5.693 6.313 ( 0.000 -5.254 -9.681) 11.015 6.450 ( 0.000 -1.914 -1.933) 2.720 6.600 ( 0.000 -0.247 -4.843) 4.849 6.701 ( 0.000 4.120 17.707) 18.180 7.310 ( 0.000 -0.253 7.207) 7.211 7.379 ( -0.000 6.295 -1.951) 6.591 7.521 ( 0.000 0.335 1.083) 1.133 7.860 ( 0.000 -18.440 -13.379) 22.782 7.886 ( 0.000 -11.408 -4.233) 12.168 8.316 ( 0.000 -6.255 8.618) 10.649 8.556 ( 0.000 -6.396 -2.271) 6.787 15.009 ( 0.000 -6.991 -0.548) 7.012 15.095 ( 0.000 -5.723 -4.416) 7.229 15.348 ( 0.000 -2.970 4.273) 5.203 15.411 ( 0.000 -1.760 0.994) 2.022 15.902 ( 0.000 -0.669 -1.089) 1.278 15.907 ( -0.000 -0.787 -1.279) 1.501 15.977 ( 0.000 -3.157 -0.103) 3.159 16.025 ( 0.000 -5.430 -2.662) 6.048 16.138 ( 0.000 -1.445 1.006) 1.761 16.148 ( 0.000 0.183 0.036) 0.186 16.383 ( 0.000 6.485 3.107) 7.191 16.436 ( 0.000 2.546 1.255) 2.839 18.711 ( 0.000 0.253 -0.156) 0.297 18.714 ( 0.000 0.207 -0.211) 0.296 18.744 ( 0.000 0.668 0.146) 0.684 18.745 ( 0.000 0.631 0.105) 0.639 19.774 ( 0.000 -0.489 -0.105) 0.500 19.777 ( -0.000 -0.542 -0.194) 0.576 20.193 ( 0.000 0.370 0.091) 0.381 20.202 ( -0.000 0.207 -0.186) 0.278 41.527 ( -0.000 0.233 -0.547) 0.595 41.534 ( 0.000 0.181 -0.822) 0.842 41.716 ( 0.000 0.665 -0.033) 0.666 41.745 ( 0.000 1.092 -0.960) 1.455 42.145 ( -0.000 5.937 2.039) 6.278 42.183 ( 0.000 7.888 4.207) 8.940 42.273 ( -0.000 5.680 -3.285) 6.561 42.325 ( 0.000 6.576 -0.894) 6.637 42.492 ( -0.000 4.464 4.333) 6.221 42.512 ( 0.000 4.873 2.996) 5.720 42.683 ( -0.000 2.914 -2.765) 4.017 42.685 ( 0.000 3.374 -2.855) 4.420 43.136 ( 0.000 3.972 2.633) 4.765 43.148 ( -0.000 4.300 2.471) 4.960 43.301 ( 0.000 2.359 -3.738) 4.421 43.302 ( -0.000 2.130 -4.041) 4.568 49.683 ( 0.000 -8.073 4.451) 9.219 49.752 ( 0.000 -6.765 5.385) 8.646 49.874 ( -0.000 -9.528 -4.266) 10.439 49.939 ( 0.000 -8.232 -3.181) 8.825 50.198 ( -0.000 -5.977 2.395) 6.439 50.231 ( 0.000 -5.258 2.733) 5.926 50.336 ( -0.000 -5.513 -3.564) 6.565 50.368 ( 0.000 -4.839 -3.203) 5.803 65.901 ( 0.000 -11.476 4.215) 12.225 65.970 ( -0.000 -12.433 4.720) 13.299 66.385 ( 0.000 -13.629 -1.559) 13.718 66.671 ( 0.000 -14.360 -8.194) 16.534 88.252 ( 0.000 -2.391 -1.162) 2.659 88.376 ( 0.000 -1.356 -6.416) 6.558 88.504 ( -0.000 1.169 1.419) 1.839 88.519 ( 0.000 0.071 1.659) 1.660 88.761 ( 0.000 -0.188 0.409) 0.450 88.784 ( -0.000 0.850 -0.782) 1.155 88.895 ( -0.000 0.742 -0.180) 0.763 88.920 ( 0.000 -3.573 -0.068) 3.574 89.151 ( 0.000 4.506 2.869) 5.342 89.241 ( 0.000 2.753 0.075) 2.754 89.410 ( 0.000 -2.423 7.245) 7.640 89.549 ( 0.000 2.338 2.030) 3.096 90.702 ( 0.000 -17.501 -7.314) 18.968 90.759 ( 0.000 -13.771 -12.222) 18.413 91.805 ( 0.000 -3.234 13.686) 14.063 92.136 ( 0.000 -0.027 0.172) 0.174 ======================= Grid point 203 (69/112) ======================= q-point: ( 0.00 0.23 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.764 ( 0.000 16.497 17.163) 23.806 2.028 ( 0.000 16.556 5.924) 17.584 2.337 ( 0.000 6.402 -8.592) 10.715 2.403 ( 0.000 7.629 -10.631) 13.085 2.592 ( 0.000 4.900 7.290) 8.784 2.726 ( 0.000 3.416 -2.757) 4.390 2.849 ( 0.000 -0.379 0.703) 0.799 2.889 ( 0.000 2.736 -0.323) 2.755 3.047 ( 0.000 2.163 3.529) 4.139 3.225 ( 0.000 2.036 -2.688) 3.373 3.469 ( 0.000 10.823 2.927) 11.212 3.525 ( 0.000 -2.357 5.815) 6.275 3.639 ( 0.000 9.028 -4.989) 10.315 3.640 ( 0.000 -3.103 0.906) 3.233 3.997 ( 0.000 4.246 2.946) 5.168 4.059 ( 0.000 9.095 18.313) 20.447 4.151 ( 0.000 1.117 -3.270) 3.456 4.934 ( 0.000 1.831 -19.822) 19.907 5.713 ( 0.000 7.707 5.750) 9.616 5.815 ( 0.000 -7.014 0.838) 7.064 6.139 ( 0.000 1.208 2.701) 2.959 6.293 ( 0.000 -4.057 12.335) 12.985 6.309 ( 0.000 -2.155 -5.690) 6.084 6.641 ( 0.000 5.419 6.002) 8.087 6.773 ( 0.000 -15.058 -3.469) 15.452 7.200 ( 0.000 -1.865 4.203) 4.598 7.333 ( 0.000 -9.934 -13.116) 16.454 7.405 ( 0.000 -0.624 -4.680) 4.721 7.739 ( 0.000 -4.619 11.411) 12.311 7.991 ( 0.000 -0.547 2.393) 2.454 8.116 ( 0.000 -1.717 -3.207) 3.638 8.293 ( 0.000 -11.628 -14.125) 18.295 14.913 ( 0.000 -6.398 2.369) 6.822 15.016 ( 0.000 -3.787 -2.329) 4.446 15.192 ( 0.000 -4.559 3.371) 5.670 15.351 ( 0.000 -6.484 -3.947) 7.591 15.797 ( 0.000 -5.718 2.229) 6.137 15.895 ( 0.000 -4.237 -2.173) 4.762 16.020 ( 0.000 2.410 4.754) 5.330 16.028 ( 0.000 -0.000 -0.586) 0.586 16.075 ( 0.000 -1.582 -2.574) 3.021 16.230 ( 0.000 3.048 -4.804) 5.689 16.358 ( 0.000 -0.543 3.485) 3.527 16.423 ( 0.000 2.755 0.474) 2.795 18.716 ( 0.000 0.369 -0.260) 0.451 18.718 ( 0.000 0.254 -0.361) 0.441 18.765 ( 0.000 0.675 0.064) 0.678 18.766 ( 0.000 0.476 0.064) 0.481 19.759 ( 0.000 -0.288 0.775) 0.827 19.792 ( 0.000 0.516 -0.739) 0.902 20.184 ( 0.000 0.157 1.168) 1.178 20.235 ( 0.000 0.471 -1.298) 1.381 41.585 ( 0.000 0.122 -0.191) 0.227 41.591 ( 0.000 0.099 -0.391) 0.403 41.764 ( 0.000 0.230 0.742) 0.777 41.798 ( 0.000 0.331 -0.348) 0.480 42.116 ( 0.000 8.103 0.905) 8.153 42.171 ( 0.000 8.411 -1.247) 8.503 42.339 ( 0.000 5.869 3.393) 6.779 42.464 ( 0.000 5.062 -2.206) 5.522 42.567 ( 0.000 9.769 4.311) 10.678 42.764 ( 0.000 5.412 -2.166) 5.829 42.904 ( 0.000 5.238 2.858) 5.968 43.010 ( 0.000 2.752 -0.600) 2.817 43.020 ( 0.000 4.344 1.159) 4.496 43.088 ( 0.000 4.086 -1.945) 4.525 43.412 ( 0.000 3.268 2.027) 3.846 43.543 ( 0.000 6.026 -3.942) 7.201 49.435 ( 0.000 -12.893 2.752) 13.184 49.523 ( 0.000 -12.290 -1.387) 12.368 49.594 ( 0.000 -11.341 5.588) 12.643 49.825 ( 0.000 -13.804 -4.997) 14.681 49.832 ( 0.000 -4.187 2.842) 5.060 49.986 ( 0.000 -2.863 -4.089) 4.991 50.375 ( 0.000 -4.497 3.069) 5.445 50.516 ( 0.000 -5.855 -3.380) 6.761 65.441 ( 0.000 -10.050 11.488) 15.264 65.829 ( 0.000 -8.037 15.273) 17.259 65.962 ( 0.000 -18.882 -12.421) 22.601 66.373 ( 0.000 -13.916 -10.691) 17.548 88.403 ( 0.000 0.723 -0.798) 1.077 88.427 ( 0.000 0.528 -1.982) 2.051 88.503 ( 0.000 -4.479 1.373) 4.685 88.566 ( 0.000 -0.326 1.334) 1.373 88.614 ( 0.000 -0.496 -0.831) 0.968 88.727 ( 0.000 -7.434 -7.082) 10.267 88.863 ( 0.000 0.484 -1.041) 1.148 88.884 ( 0.000 0.441 -2.111) 2.156 88.984 ( 0.000 -0.618 3.190) 3.249 89.134 ( 0.000 -1.644 -1.838) 2.466 89.199 ( 0.000 -2.640 4.119) 4.892 89.233 ( 0.000 -2.992 2.728) 4.049 90.582 ( 0.000 -4.557 -1.669) 4.852 90.677 ( 0.000 5.882 -10.213) 11.786 91.833 ( 0.000 -9.013 17.219) 19.436 92.329 ( 0.000 -10.771 -0.966) 10.814 ======================= Grid point 204 (70/112) ======================= q-point: ( 0.17 0.23 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.916 ( 13.610 14.643 13.233) 23.974 2.032 ( 0.664 17.580 4.994) 18.287 2.327 ( -1.148 6.783 -7.129) 9.907 2.465 ( 1.946 7.766 -8.797) 11.895 2.597 ( 3.188 2.783 0.309) 4.243 2.678 ( -2.269 3.911 -2.737) 5.285 2.781 ( -2.899 2.998 5.673) 7.041 2.951 ( 2.012 4.362 -1.517) 5.037 3.109 ( 1.956 1.118 1.528) 2.722 3.230 ( 3.157 2.066 0.031) 3.773 3.387 ( -2.664 5.423 6.126) 8.604 3.526 ( -1.424 6.919 -1.838) 7.299 3.684 ( 6.775 -5.327 3.191) 9.191 3.798 ( 10.076 2.443 -2.532) 10.672 4.003 ( 1.633 5.502 3.656) 6.805 4.073 ( 0.778 8.413 8.274) 11.825 4.170 ( 1.673 1.759 7.827) 8.195 4.976 ( 4.306 0.996 -18.770) 19.284 5.586 ( -13.115 6.297 5.762) 15.647 5.692 ( -10.524 -5.393 -1.230) 11.890 6.143 ( 1.284 0.910 0.474) 1.644 6.246 ( -3.485 -2.344 -5.937) 7.272 6.382 ( 4.930 -1.968 10.285) 11.574 6.642 ( 1.143 4.273 8.954) 9.987 6.807 ( -0.181 -10.087 -4.081) 10.883 7.190 ( -1.059 -9.441 5.094) 10.780 7.337 ( 4.808 -6.342 -10.327) 13.038 7.483 ( 4.554 -1.585 -7.194) 8.660 7.634 ( -9.029 -2.650 8.271) 12.528 7.910 ( -8.768 -3.746 -2.524) 9.863 8.136 ( 3.211 -2.228 -0.221) 3.914 8.345 ( 3.642 -9.261 -8.458) 13.061 14.901 ( -1.104 -6.404 1.628) 6.700 15.008 ( -0.799 -3.955 -3.087) 5.081 15.211 ( 1.738 -4.938 3.953) 6.560 15.351 ( 0.050 -5.785 -2.689) 6.380 15.808 ( 1.095 -5.574 1.578) 5.896 15.893 ( -0.295 -3.975 -2.413) 4.659 15.987 ( -2.123 1.466 1.958) 3.239 16.017 ( -1.135 0.960 -0.791) 1.684 16.092 ( 0.751 -1.652 -0.150) 1.821 16.191 ( -2.997 0.726 -3.056) 4.341 16.402 ( 3.422 0.551 2.599) 4.333 16.442 ( 1.955 3.653 0.994) 4.261 18.716 ( 0.045 0.368 -0.278) 0.463 18.718 ( -0.001 0.269 -0.333) 0.428 18.764 ( -0.148 0.671 0.067) 0.691 18.764 ( -0.209 0.520 0.088) 0.567 19.760 ( 0.072 -0.296 0.627) 0.697 19.788 ( -0.402 0.417 -0.669) 0.885 20.186 ( 0.220 0.201 0.978) 1.022 20.231 ( -0.491 0.461 -1.151) 1.334 41.574 ( -1.097 0.186 -0.262) 1.143 41.576 ( -1.336 0.273 -0.296) 1.396 41.755 ( -0.863 0.465 0.654) 1.178 41.789 ( -0.812 0.530 -0.455) 1.071 42.144 ( 2.901 8.089 1.063) 8.659 42.207 ( 3.657 8.207 -1.380) 9.090 42.378 ( 3.934 5.905 3.253) 7.806 42.492 ( 2.235 5.635 -0.798) 6.114 42.542 ( -1.782 8.933 2.834) 9.540 42.708 ( -5.243 6.083 -1.264) 8.129 42.866 ( -3.712 5.312 1.838) 6.735 42.959 ( -3.883 3.270 -0.976) 5.169 43.065 ( 3.239 4.007 1.558) 5.382 43.146 ( 5.032 3.554 -2.247) 6.557 43.388 ( -2.470 3.419 2.153) 4.736 43.520 ( -2.463 5.677 -3.850) 7.288 49.443 ( 0.788 -12.745 2.934) 13.102 49.544 ( 2.136 -12.338 -1.724) 12.640 49.588 ( -0.664 -11.382 5.441) 12.633 49.808 ( -1.740 -13.572 -4.710) 14.471 49.870 ( 3.885 -4.304 2.820) 6.447 50.021 ( 3.579 -3.193 -3.993) 6.241 50.340 ( -3.644 -4.504 3.043) 6.544 50.480 ( -3.763 -5.726 -3.353) 7.628 65.493 ( 5.005 -10.995 9.179) 15.172 65.772 ( -3.731 -10.455 6.444) 12.836 66.039 ( 5.454 -16.752 -3.999) 18.066 66.357 ( -1.384 -13.796 -9.107) 16.589 88.358 ( -5.432 -1.041 -0.752) 5.582 88.427 ( 0.384 0.729 -2.239) 2.386 88.489 ( -1.527 -2.505 0.201) 2.941 88.527 ( -0.974 0.157 -2.073) 2.296 88.666 ( 3.447 -1.893 0.836) 4.021 88.728 ( 0.680 -4.380 -2.673) 5.176 88.878 ( 0.474 -0.307 -0.137) 0.581 88.905 ( 1.793 0.182 -2.077) 2.750 89.013 ( 3.241 -0.224 3.009) 4.428 89.147 ( 2.853 -2.402 -2.149) 4.304 89.242 ( 3.832 -2.709 5.569) 7.283 89.330 ( 8.274 -3.250 1.722) 9.055 90.550 ( -3.302 -5.691 -2.777) 7.142 90.663 ( -1.325 5.034 -11.685) 12.793 91.791 ( -4.074 -9.225 17.176) 19.918 92.262 ( -6.527 -9.777 -0.597) 11.771 ======================= Grid point 205 (71/112) ======================= q-point: ( 0.33 0.23 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 236 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.049 ( 0.710 18.695 2.063) 18.822 2.138 ( 6.828 11.351 4.672) 14.047 2.321 ( 1.742 6.677 -2.884) 7.479 2.419 ( -3.851 7.811 -4.018) 9.591 2.658 ( -0.038 5.795 -3.259) 6.649 2.682 ( 1.883 4.443 0.432) 4.845 2.818 ( 5.190 1.980 2.441) 6.068 2.916 ( -2.041 6.373 -6.832) 9.563 3.160 ( 3.471 3.480 4.037) 6.360 3.278 ( 0.238 2.348 2.697) 3.584 3.408 ( 3.509 3.663 2.945) 5.866 3.523 ( 1.207 6.639 -2.724) 7.277 3.831 ( 8.141 -6.889 5.090) 11.817 3.934 ( 3.873 -2.421 0.831) 4.642 4.022 ( -1.742 -0.132 3.388) 3.812 4.117 ( 1.474 5.886 2.234) 6.466 4.245 ( 10.544 12.455 16.649) 23.313 5.056 ( -0.074 -0.322 -13.505) 13.509 5.289 ( -12.811 1.868 4.738) 13.786 5.493 ( -9.888 -2.586 -7.401) 12.619 6.185 ( 2.819 3.129 -2.701) 5.003 6.209 ( -0.650 -3.561 -5.818) 6.853 6.430 ( 1.007 2.865 3.269) 4.462 6.685 ( -3.582 -5.053 11.247) 12.839 6.711 ( -2.186 1.110 -1.649) 2.954 7.224 ( 3.898 -14.345 9.299) 17.534 7.428 ( -2.637 -2.375 -3.047) 4.677 7.494 ( 0.787 -6.671 -1.372) 6.856 7.540 ( 1.511 0.792 -7.447) 7.640 7.740 ( -7.643 -7.050 -7.499) 12.820 8.194 ( 2.318 -3.122 3.412) 5.173 8.398 ( 1.906 -7.458 -4.326) 8.830 14.880 ( -0.919 -6.299 0.381) 6.377 14.991 ( -0.800 -4.568 -4.503) 6.464 15.244 ( 1.508 -5.470 4.947) 7.528 15.353 ( 0.123 -4.455 -0.269) 4.465 15.831 ( 1.167 -5.005 -0.218) 5.143 15.881 ( -0.813 -3.287 -2.915) 4.468 15.962 ( -0.621 0.688 0.294) 0.972 15.995 ( -0.891 2.285 -1.170) 2.717 16.093 ( -0.439 -2.557 1.222) 2.868 16.141 ( -2.006 -1.861 -1.366) 3.058 16.457 ( 2.126 1.071 2.952) 3.792 16.485 ( 2.110 4.860 1.671) 5.556 18.717 ( 0.055 0.342 -0.300) 0.458 18.718 ( 0.020 0.310 -0.308) 0.437 18.760 ( -0.196 0.598 0.128) 0.643 18.760 ( -0.170 0.667 0.078) 0.693 19.763 ( 0.222 -0.254 0.269) 0.431 19.779 ( -0.566 0.172 -0.461) 0.751 20.193 ( 0.494 0.300 0.479) 0.750 20.218 ( -0.744 0.419 -0.744) 1.132 41.548 ( -1.247 0.487 -0.223) 1.357 41.552 ( -1.103 0.376 -0.395) 1.230 41.739 ( -0.677 0.778 0.477) 1.136 41.774 ( -0.693 0.820 -0.629) 1.244 42.217 ( 4.554 8.088 1.503) 9.402 42.301 ( 6.010 7.762 -1.687) 9.961 42.436 ( -2.492 8.892 3.329) 9.816 42.495 ( 4.120 6.532 3.568) 8.507 42.574 ( -1.870 6.590 -2.342) 7.240 42.609 ( 0.159 5.254 -0.023) 5.257 42.777 ( -5.208 5.275 0.931) 7.471 42.866 ( -5.829 3.454 -1.656) 6.975 43.139 ( 4.452 4.044 2.142) 6.384 43.247 ( 4.980 3.271 -2.807) 6.586 43.327 ( -3.405 3.796 2.203) 5.555 43.455 ( -4.268 4.836 -3.615) 7.394 49.461 ( 0.978 -12.428 3.356) 12.910 49.571 ( -0.804 -11.651 4.861) 12.650 49.598 ( 3.115 -12.425 -2.489) 13.049 49.764 ( -2.779 -13.008 -3.838) 13.844 49.971 ( 6.542 -4.474 2.786) 8.401 50.114 ( 6.137 -3.970 -3.771) 8.224 50.245 ( -6.251 -4.519 2.981) 8.269 50.382 ( -6.357 -5.352 -3.329) 8.952 65.597 ( 5.194 -12.496 4.298) 14.199 65.718 ( -1.949 -11.995 2.049) 12.324 66.111 ( 1.640 -14.317 0.182) 14.411 66.340 ( 0.009 -14.971 -5.869) 16.081 88.262 ( -3.969 -0.732 -1.369) 4.262 88.375 ( -3.946 -2.204 -4.760) 6.564 88.492 ( 2.065 0.460 1.425) 2.551 88.544 ( 0.436 1.359 -1.104) 1.804 88.714 ( 1.704 -2.082 1.242) 2.963 88.748 ( 1.019 -3.231 -0.714) 3.462 88.875 ( -0.322 -0.491 0.233) 0.632 88.923 ( -0.074 0.488 -2.440) 2.489 89.120 ( 7.560 -0.226 3.160) 8.197 89.226 ( 3.903 -2.742 -1.285) 4.940 89.312 ( 2.975 -2.554 8.453) 9.318 89.484 ( 6.838 -3.090 1.247) 7.606 90.471 ( -4.377 -7.596 -4.947) 10.066 90.636 ( -1.274 2.358 -14.874) 15.114 91.706 ( -4.150 -9.742 16.996) 20.025 92.125 ( -6.675 -7.954 -0.012) 10.384 ======================= Grid point 206 (72/112) ======================= q-point: (-0.50 0.23 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.053 ( 0.000 18.177 0.035) 18.177 2.186 ( 0.000 9.543 -0.513) 9.557 2.360 ( -0.000 8.603 1.605) 8.752 2.374 ( 0.000 7.712 -4.178) 8.771 2.660 ( 0.000 7.113 -0.682) 7.146 2.677 ( 0.000 6.341 3.663) 7.323 2.887 ( 0.000 3.203 -2.425) 4.017 2.904 ( 0.000 2.270 -9.884) 10.141 3.228 ( -0.000 3.614 5.168) 6.306 3.245 ( 0.000 4.864 3.763) 6.150 3.453 ( 0.000 2.793 -1.909) 3.384 3.542 ( 0.000 6.885 -2.257) 7.246 3.929 ( 0.000 -8.330 6.324) 10.458 3.973 ( -0.000 -3.425 0.306) 3.439 3.986 ( 0.000 -1.198 9.674) 9.748 4.103 ( 0.000 4.276 8.312) 9.347 4.448 ( 0.000 20.322 8.441) 22.006 4.901 ( 0.000 -3.346 4.443) 5.562 5.290 ( 0.000 -5.707 -4.028) 6.985 5.348 ( -0.000 1.885 -15.435) 15.550 6.206 ( 0.000 -4.294 -5.788) 7.207 6.223 ( -0.000 5.540 -5.387) 7.727 6.447 ( 0.000 1.493 1.476) 2.100 6.570 ( 0.000 -1.905 -3.302) 3.812 6.740 ( 0.000 -0.702 14.968) 14.985 7.288 ( 0.000 -17.864 9.199) 20.093 7.343 ( 0.000 3.340 4.972) 5.990 7.515 ( 0.000 0.424 -1.232) 1.303 7.588 ( 0.000 -5.194 -17.537) 18.290 7.653 ( 0.000 -11.015 -6.451) 12.765 8.216 ( 0.000 -3.445 4.420) 5.603 8.416 ( 0.000 -6.808 -3.076) 7.470 14.871 ( 0.000 -6.216 -0.167) 6.218 14.983 ( 0.000 -4.929 -5.149) 7.128 15.259 ( 0.000 -5.666 5.400) 7.827 15.354 ( 0.000 -3.833 0.889) 3.935 15.843 ( 0.000 -4.181 -1.549) 4.459 15.872 ( 0.000 -3.518 -3.265) 4.799 15.957 ( 0.000 0.401 -0.117) 0.418 15.987 ( 0.000 3.203 -1.220) 3.427 16.087 ( 0.000 -3.442 1.702) 3.840 16.122 ( 0.000 -2.746 -0.443) 2.781 16.478 ( 0.000 1.421 3.273) 3.568 16.506 ( 0.000 5.075 1.923) 5.427 18.718 ( -0.005 0.231 -0.295) 0.375 18.718 ( 0.005 0.422 -0.318) 0.529 18.758 ( 0.000 0.655 0.131) 0.667 18.759 ( -0.000 0.647 0.102) 0.655 19.768 ( 0.000 -0.041 -0.116) 0.123 19.769 ( -0.000 -0.137 -0.149) 0.203 20.203 ( 0.000 0.538 -0.111) 0.550 20.206 ( -0.000 0.203 -0.200) 0.285 41.536 ( 0.000 0.554 -0.262) 0.613 41.541 ( 0.000 0.471 -0.433) 0.639 41.732 ( 0.000 0.888 0.395) 0.972 41.767 ( 0.000 0.931 -0.698) 1.163 42.284 ( -0.000 7.573 1.673) 7.755 42.366 ( 0.000 9.566 2.805) 9.968 42.413 ( 0.000 7.849 -2.528) 8.246 42.472 ( 0.000 7.531 0.508) 7.548 42.597 ( -0.000 5.601 3.573) 6.643 42.629 ( 0.000 6.537 1.113) 6.631 42.747 ( -0.000 3.317 -1.838) 3.792 42.763 ( 0.000 4.040 -2.076) 4.542 43.219 ( -0.000 3.836 2.175) 4.410 43.236 ( 0.000 3.897 2.043) 4.401 43.363 ( 0.000 3.915 -3.238) 5.081 43.367 ( -0.000 4.047 -2.949) 5.007 49.472 ( 0.000 -12.246 3.626) 12.771 49.561 ( 0.000 -11.676 4.837) 12.638 49.640 ( -0.000 -12.969 -3.965) 13.561 49.725 ( 0.000 -12.363 -2.636) 12.641 50.086 ( -0.000 -4.645 2.547) 5.297 50.130 ( 0.000 -4.421 3.056) 5.374 50.227 ( -0.000 -4.872 -3.718) 6.129 50.269 ( 0.000 -4.670 -3.147) 5.631 65.655 ( -0.000 -12.254 1.457) 12.340 65.697 ( 0.000 -13.720 0.665) 13.736 66.119 ( 0.000 -12.134 2.237) 12.339 66.346 ( 0.000 -16.373 -4.455) 16.968 88.223 ( 0.000 -0.495 -1.604) 1.678 88.335 ( 0.000 -2.350 -4.942) 5.472 88.524 ( 0.000 0.807 1.623) 1.812 88.536 ( 0.000 1.547 -0.327) 1.581 88.731 ( 0.000 -1.928 1.261) 2.303 88.757 ( 0.000 -3.196 -0.285) 3.208 88.873 ( 0.000 -0.855 0.113) 0.863 88.919 ( 0.000 1.064 -2.695) 2.897 89.231 ( 0.000 0.409 1.621) 1.671 89.245 ( 0.000 -2.499 1.068) 2.718 89.341 ( 0.000 -3.022 9.762) 10.219 89.553 ( 0.000 -2.586 1.202) 2.851 90.422 ( 0.000 -8.762 -6.021) 10.632 90.623 ( 0.000 0.754 -16.593) 16.610 91.663 ( 0.000 -10.059 16.834) 19.610 92.055 ( 0.000 -7.102 0.208) 7.105 ======================= Grid point 210 (73/112) ======================= q-point: ( 0.00 0.31 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.114 ( 0.000 17.277 12.605) 21.386 2.329 ( 0.000 12.034 4.671) 12.909 2.480 ( 0.000 8.022 -2.690) 8.461 2.513 ( 0.000 2.606 -0.532) 2.660 2.693 ( 0.000 5.462 2.758) 6.119 2.803 ( 0.000 3.894 -3.721) 5.386 2.815 ( 0.000 -2.017 -0.407) 2.058 3.005 ( 0.000 8.695 -9.184) 12.647 3.076 ( 0.000 0.324 4.695) 4.706 3.282 ( 0.000 3.456 -3.642) 5.020 3.439 ( 0.000 -3.936 4.660) 6.100 3.583 ( 0.000 -3.178 -2.674) 4.153 3.634 ( 0.000 3.816 3.730) 5.336 3.813 ( 0.000 6.964 -3.011) 7.587 4.066 ( 0.000 3.385 2.405) 4.152 4.213 ( 0.000 5.215 -2.325) 5.710 4.258 ( 0.000 7.146 17.188) 18.615 4.948 ( 0.000 0.377 -13.217) 13.223 5.630 ( 0.000 -10.819 3.298) 11.310 5.798 ( 0.000 -1.359 -2.179) 2.568 6.167 ( 0.000 4.057 5.590) 6.907 6.178 ( 0.000 -6.786 9.153) 11.394 6.330 ( 0.000 3.623 -3.898) 5.321 6.473 ( 0.000 -13.087 -4.942) 13.989 6.757 ( 0.000 4.932 5.137) 7.122 7.126 ( 0.000 -7.289 -3.929) 8.280 7.162 ( 0.000 -1.868 5.398) 5.712 7.386 ( 0.000 -1.426 -4.877) 5.081 7.676 ( 0.000 -2.989 3.206) 4.383 7.989 ( 0.000 0.361 1.495) 1.538 8.052 ( 0.000 -12.119 -12.760) 17.598 8.098 ( 0.000 -0.056 -3.463) 3.464 14.774 ( 0.000 -6.795 4.050) 7.911 14.947 ( 0.000 -3.059 -3.836) 4.906 15.102 ( 0.000 -4.105 2.552) 4.834 15.222 ( 0.000 -5.837 -3.000) 6.563 15.678 ( 0.000 -5.490 2.486) 6.027 15.798 ( 0.000 -4.879 -2.935) 5.694 16.005 ( 0.000 -2.129 -0.293) 2.149 16.058 ( 0.000 -0.085 -2.368) 2.370 16.092 ( 0.000 4.247 4.641) 6.291 16.287 ( 0.000 2.304 -4.338) 4.912 16.335 ( 0.000 -1.156 5.400) 5.522 16.496 ( 0.000 3.726 -2.352) 4.406 18.722 ( 0.000 0.176 -0.225) 0.286 18.724 ( 0.000 0.294 -0.254) 0.388 18.776 ( 0.000 0.432 0.162) 0.462 18.779 ( 0.000 0.670 -0.047) 0.671 19.754 ( 0.000 -0.236 1.152) 1.175 19.804 ( 0.000 0.589 -1.142) 1.285 20.189 ( 0.000 0.314 1.310) 1.347 20.245 ( 0.000 0.470 -1.306) 1.388 41.589 ( 0.000 0.245 -0.053) 0.251 41.593 ( 0.000 0.138 -0.238) 0.275 41.770 ( 0.000 0.260 0.824) 0.864 41.800 ( 0.000 -0.076 -0.137) 0.157 42.259 ( 0.000 5.066 2.595) 5.692 42.328 ( 0.000 7.398 0.640) 7.426 42.503 ( 0.000 9.317 -0.246) 9.321 42.572 ( 0.000 5.681 -2.142) 6.071 42.770 ( 0.000 9.784 2.356) 10.063 42.881 ( 0.000 5.763 -1.315) 5.911 43.015 ( 0.000 5.098 2.123) 5.522 43.067 ( 0.000 2.921 0.354) 2.942 43.105 ( 0.000 3.822 1.051) 3.963 43.172 ( 0.000 3.954 -1.941) 4.405 43.466 ( 0.000 2.187 3.890) 4.462 43.676 ( 0.000 6.492 -5.416) 8.455 49.142 ( 0.000 -14.861 3.217) 15.205 49.258 ( 0.000 -12.991 -2.150) 13.167 49.348 ( 0.000 -12.200 4.394) 12.968 49.531 ( 0.000 -14.372 -3.986) 14.915 49.771 ( 0.000 -2.099 3.336) 3.941 49.936 ( 0.000 -2.068 -4.168) 4.653 50.294 ( 0.000 -3.379 2.355) 4.119 50.403 ( 0.000 -5.115 -2.615) 5.745 65.238 ( 0.000 -9.391 7.672) 12.126 65.583 ( 0.000 -17.462 -8.155) 19.272 65.708 ( 0.000 -4.217 9.962) 10.817 66.108 ( 0.000 -11.550 -8.577) 14.386 88.420 ( 0.000 0.895 -0.621) 1.090 88.435 ( 0.000 -2.102 -0.615) 2.190 88.438 ( 0.000 0.557 -1.510) 1.609 88.559 ( 0.000 -0.366 1.117) 1.175 88.601 ( 0.000 -4.716 -6.684) 8.180 88.602 ( 0.000 -0.686 -0.837) 1.082 88.870 ( 0.000 0.113 -0.737) 0.746 88.891 ( 0.000 0.266 -1.800) 1.819 88.945 ( 0.000 -3.133 1.029) 3.297 89.053 ( 0.000 -5.890 -2.631) 6.451 89.144 ( 0.000 -2.620 3.031) 4.006 89.167 ( 0.000 -3.251 2.116) 3.879 90.536 ( 0.000 -0.233 7.136) 7.140 90.853 ( 0.000 9.987 -11.463) 15.203 91.621 ( 0.000 -10.748 15.293) 18.692 92.078 ( 0.000 -12.879 -1.697) 12.990 ======================= Grid point 211 (74/112) ======================= q-point: ( 0.17 0.31 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.229 ( 10.132 15.564 10.858) 21.512 2.353 ( 2.378 12.872 4.082) 13.712 2.471 ( -0.869 7.502 -2.869) 8.079 2.598 ( 2.781 4.710 -0.191) 5.473 2.634 ( 1.539 1.117 -0.032) 1.902 2.766 ( -0.588 5.589 -7.695) 9.529 2.901 ( 0.720 7.027 -0.337) 7.072 3.007 ( 6.467 2.245 0.598) 6.871 3.153 ( 1.956 2.596 -1.011) 3.404 3.260 ( 0.023 0.855 0.378) 0.935 3.407 ( -2.021 -1.779 4.745) 5.455 3.557 ( -1.295 -2.374 -2.707) 3.827 3.686 ( 4.603 2.734 3.092) 6.182 3.876 ( 4.823 4.770 -2.654) 7.284 4.060 ( -0.669 2.495 2.703) 3.738 4.205 ( -0.542 5.000 -1.458) 5.237 4.294 ( 3.868 5.754 16.526) 17.922 4.981 ( 3.445 0.215 -13.196) 13.640 5.516 ( -11.511 -9.913 2.677) 15.425 5.678 ( -10.839 -0.900 -4.178) 11.651 6.150 ( 0.625 2.136 4.245) 4.793 6.260 ( -3.038 1.127 -1.923) 3.768 6.307 ( 8.846 -3.892 7.496) 12.231 6.584 ( 6.735 -10.306 -3.565) 12.818 6.711 ( -4.189 2.708 5.512) 7.434 7.019 ( -6.664 -4.537 -1.749) 8.249 7.231 ( 4.444 -4.742 1.435) 6.655 7.452 ( 5.088 -1.853 -4.370) 6.959 7.605 ( -6.418 -1.014 1.764) 6.732 7.826 ( -11.353 -4.979 -5.073) 13.394 8.102 ( 2.941 -1.574 -2.137) 3.962 8.185 ( 5.450 -5.653 -4.792) 9.199 14.771 ( -0.240 -6.032 3.189) 6.828 14.936 ( -1.043 -2.985 -4.393) 5.413 15.107 ( 0.532 -4.969 3.410) 6.050 15.231 ( 0.818 -5.783 -2.199) 6.241 15.697 ( 1.852 -5.008 1.952) 5.685 15.802 ( 0.265 -4.497 -2.985) 5.404 15.997 ( -0.615 -1.317 0.119) 1.458 16.044 ( -1.341 -0.174 -1.837) 2.281 16.084 ( -0.855 3.049 3.174) 4.484 16.212 ( -4.850 1.566 -1.650) 5.357 16.402 ( 4.019 -0.370 2.986) 5.021 16.518 ( 2.082 3.178 -1.453) 4.067 18.722 ( 0.026 0.186 -0.213) 0.285 18.725 ( 0.068 0.319 -0.271) 0.424 18.774 ( -0.144 0.458 0.163) 0.507 18.777 ( -0.162 0.658 -0.035) 0.679 19.756 ( 0.194 -0.125 0.962) 0.989 19.799 ( -0.506 0.591 -1.018) 1.281 20.191 ( 0.265 0.319 1.101) 1.176 20.240 ( -0.518 0.456 -1.160) 1.349 41.579 ( -0.926 0.324 -0.092) 0.985 41.582 ( -1.053 0.280 -0.190) 1.106 41.764 ( -0.513 0.422 0.767) 1.015 41.795 ( -0.500 0.063 -0.204) 0.543 42.295 ( 3.594 5.801 2.267) 7.191 42.360 ( 3.389 7.127 0.621) 7.916 42.535 ( 3.327 8.806 -0.113) 9.414 42.603 ( 3.149 5.560 -1.808) 6.641 42.738 ( -3.235 9.579 2.170) 10.341 42.836 ( -4.356 6.205 -0.903) 7.635 42.977 ( -3.598 5.235 1.482) 6.523 43.025 ( -3.715 3.168 -0.057) 4.883 43.143 ( 3.137 3.466 1.506) 4.911 43.222 ( 4.568 3.749 -2.136) 6.283 43.445 ( -2.137 2.332 3.842) 4.976 43.646 ( -3.108 6.237 -5.135) 8.656 49.155 ( 1.307 -14.569 3.278) 14.991 49.278 ( 2.026 -13.022 -2.364) 13.389 49.339 ( -0.928 -12.388 4.388) 13.175 49.518 ( -1.368 -14.230 -3.822) 14.798 49.806 ( 3.618 -2.221 3.204) 5.319 49.965 ( 2.947 -2.340 -4.008) 5.497 50.260 ( -3.581 -3.328 2.380) 5.438 50.369 ( -3.452 -4.966 -2.642) 6.600 65.272 ( 3.316 -10.126 6.286) 12.371 65.536 ( -3.472 -13.591 -4.039) 14.598 65.772 ( 5.019 -8.268 5.656) 11.205 66.093 ( -1.495 -11.550 -7.309) 13.750 88.344 ( -5.079 -0.232 -1.239) 5.233 88.424 ( -4.324 -1.306 -2.734) 5.280 88.460 ( 1.797 0.195 0.409) 1.853 88.534 ( 2.070 0.421 -3.102) 3.753 88.631 ( 2.459 -1.559 0.380) 2.936 88.654 ( 2.323 -2.671 -1.248) 3.754 88.872 ( -0.064 -0.735 0.294) 0.794 88.911 ( 1.709 0.274 -1.895) 2.566 88.982 ( 3.553 -2.459 -0.116) 4.323 89.047 ( 1.169 -6.851 -2.567) 7.409 89.185 ( 3.848 -2.822 4.164) 6.333 89.248 ( 7.008 -4.434 1.176) 8.376 90.502 ( -3.459 0.421 5.795) 6.762 90.829 ( -2.354 10.021 -12.476) 16.174 91.573 ( -4.672 -11.174 15.939) 20.018 92.029 ( -4.761 -12.134 -1.711) 13.147 ======================= Grid point 212 (75/112) ======================= q-point: ( 0.33 0.31 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 236 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.364 ( 1.692 10.468 4.774) 11.629 2.383 ( -0.307 12.161 1.408) 12.246 2.475 ( 3.296 9.245 -2.299) 10.080 2.596 ( 1.369 8.679 -0.691) 8.814 2.757 ( 4.856 2.908 -3.255) 6.530 2.779 ( 1.933 5.757 -4.193) 7.380 2.922 ( 2.630 8.673 1.163) 9.138 3.061 ( -4.253 7.685 -7.750) 11.713 3.210 ( 8.743 0.966 7.055) 11.276 3.317 ( 2.793 -0.203 3.232) 4.276 3.387 ( 0.428 -4.287 4.683) 6.363 3.558 ( 1.187 -2.614 -2.902) 4.082 3.779 ( 4.589 1.653 4.385) 6.559 3.937 ( 0.952 3.220 1.065) 3.523 4.031 ( -2.414 1.428 3.205) 4.259 4.195 ( -0.597 3.356 3.819) 5.119 4.439 ( 12.820 2.574 9.638) 16.244 5.059 ( 1.961 1.270 -12.538) 12.754 5.223 ( -16.465 -7.394 3.344) 18.356 5.475 ( -9.387 -1.079 -8.625) 12.793 6.177 ( 0.939 1.186 0.813) 1.717 6.219 ( -0.290 0.376 -1.758) 1.821 6.485 ( 8.831 -1.797 4.770) 10.197 6.582 ( -6.134 0.805 3.472) 7.095 6.689 ( 1.426 -4.787 1.469) 5.207 6.935 ( -2.155 -8.664 0.781) 8.962 7.313 ( 4.171 -8.447 -2.327) 9.704 7.481 ( -5.819 2.246 0.521) 6.259 7.524 ( 1.046 -4.436 -5.773) 7.355 7.629 ( -7.407 -1.981 -2.413) 8.038 8.150 ( 1.847 -1.576 0.221) 2.438 8.264 ( 2.834 -5.522 -3.375) 7.066 14.767 ( -0.160 -4.605 1.516) 4.850 14.914 ( -1.084 -2.851 -5.134) 5.972 15.118 ( 0.569 -6.533 4.950) 8.217 15.247 ( 0.766 -5.731 -0.797) 5.836 15.740 ( 2.506 -3.689 0.331) 4.472 15.803 ( -0.221 -3.549 -2.969) 4.633 15.993 ( 0.176 0.232 0.248) 0.383 16.016 ( -1.049 -2.583 0.119) 2.790 16.063 ( -1.255 1.827 1.070) 2.461 16.127 ( -3.904 2.339 -1.896) 4.930 16.464 ( 2.407 -0.520 3.582) 4.347 16.559 ( 1.864 2.156 -0.096) 2.852 18.722 ( 0.038 0.212 -0.193) 0.289 18.726 ( 0.078 0.360 -0.308) 0.481 18.771 ( -0.120 0.516 0.149) 0.551 18.774 ( -0.201 0.624 0.007) 0.656 19.762 ( 0.442 0.140 0.472) 0.662 19.786 ( -0.762 0.555 -0.663) 1.153 20.199 ( 0.551 0.327 0.560) 0.851 20.227 ( -0.793 0.423 -0.741) 1.165 41.559 ( -1.015 0.546 -0.110) 1.158 41.562 ( -0.939 0.482 -0.188) 1.072 41.754 ( -0.443 0.678 0.656) 1.042 41.785 ( -0.456 0.302 -0.316) 0.632 42.380 ( 4.982 7.364 1.802) 9.072 42.451 ( 6.039 6.742 0.213) 9.054 42.613 ( 3.300 8.289 0.638) 8.945 42.656 ( -1.413 8.658 2.164) 9.035 42.694 ( 3.842 5.290 -1.943) 6.821 42.733 ( -6.084 6.639 -0.033) 9.005 42.890 ( -5.346 5.568 0.628) 7.744 42.935 ( -5.624 3.195 -0.633) 6.499 43.213 ( 4.173 3.148 2.175) 5.661 43.317 ( 4.265 3.292 -2.240) 5.835 43.397 ( -1.953 3.157 2.948) 4.741 43.566 ( -5.257 5.567 -4.382) 8.822 49.185 ( 1.699 -13.804 3.344) 14.304 49.310 ( -0.688 -13.114 2.842) 13.436 49.332 ( 2.189 -12.973 -1.433) 13.234 49.483 ( -2.165 -13.879 -3.268) 14.422 49.901 ( 6.209 -2.517 2.877) 7.291 50.043 ( 5.191 -3.025 -3.610) 7.009 50.166 ( -6.107 -3.174 2.474) 7.314 50.280 ( -5.761 -4.541 -2.756) 7.837 65.347 ( 4.150 -11.408 3.060) 12.519 65.475 ( -2.939 -12.129 -2.056) 12.649 65.860 ( 3.880 -9.625 3.295) 10.888 66.059 ( -1.841 -12.073 -4.252) 12.931 88.261 ( -3.327 0.617 -1.924) 3.893 88.333 ( -3.919 -1.500 -3.304) 5.341 88.505 ( 2.504 0.610 1.254) 2.866 88.572 ( 0.841 1.292 -2.241) 2.720 88.669 ( 1.490 -2.304 0.728) 2.839 88.685 ( 1.043 -2.464 0.103) 2.677 88.867 ( -0.287 -0.667 0.251) 0.768 88.932 ( 0.272 0.094 -2.890) 2.905 89.065 ( 5.193 -4.996 0.326) 7.213 89.113 ( 4.271 -6.763 -1.539) 8.146 89.263 ( 3.748 -2.756 6.027) 7.614 89.384 ( 6.359 -5.988 0.487) 8.748 90.420 ( -4.553 2.029 2.908) 5.770 90.778 ( -2.594 10.104 -14.806) 18.112 91.474 ( -4.895 -12.181 17.378) 21.779 91.928 ( -4.954 -10.622 -1.792) 11.856 ======================= Grid point 213 (76/112) ======================= q-point: (-0.50 0.31 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.363 ( 0.000 11.472 0.884) 11.506 2.370 ( -0.000 8.284 -0.322) 8.290 2.553 ( -0.000 9.193 -0.772) 9.225 2.581 ( 0.000 12.174 -3.422) 12.646 2.800 ( 0.000 5.690 2.423) 6.185 2.804 ( 0.000 5.829 -2.539) 6.358 2.978 ( -0.000 4.989 -8.114) 9.525 2.997 ( 0.000 8.571 0.025) 8.571 3.296 ( 0.000 2.106 5.010) 5.435 3.337 ( 0.000 3.539 5.790) 6.786 3.420 ( 0.000 -5.658 -1.233) 5.791 3.575 ( 0.000 -4.535 -2.319) 5.093 3.826 ( 0.000 0.492 11.602) 11.613 3.935 ( -0.000 1.092 0.604) 1.248 4.001 ( 0.000 2.426 3.111) 3.945 4.186 ( 0.000 3.328 6.977) 7.730 4.737 ( 0.000 -11.838 1.653) 11.953 4.809 ( -0.000 11.711 5.212) 12.818 5.183 ( 0.000 -3.473 -7.931) 8.658 5.363 ( -0.000 -1.755 -12.322) 12.446 6.173 ( 0.000 2.164 -1.637) 2.713 6.237 ( -0.000 -3.941 -2.841) 4.858 6.504 ( 0.000 3.244 7.612) 8.274 6.591 ( 0.000 3.791 -1.448) 4.058 6.692 ( 0.000 -2.917 3.274) 4.385 6.916 ( 0.000 -14.861 3.708) 15.317 7.378 ( 0.000 -5.712 -2.095) 6.084 7.405 ( -0.000 -8.909 -7.440) 11.607 7.487 ( 0.000 -0.195 0.153) 0.247 7.595 ( 0.000 2.105 -1.706) 2.709 8.167 ( 0.000 -1.687 0.970) 1.946 8.291 ( 0.000 -5.342 -2.901) 6.079 14.766 ( 0.000 -3.921 0.684) 3.980 14.903 ( 0.000 -2.805 -5.339) 6.031 15.124 ( 0.000 -7.251 5.645) 9.189 15.255 ( 0.000 -5.718 -0.162) 5.721 15.772 ( 0.000 -2.545 -1.318) 2.866 15.796 ( 0.000 -3.085 -2.578) 4.020 15.987 ( 0.000 -2.066 1.360) 2.474 16.028 ( -0.000 1.771 0.886) 1.980 16.038 ( 0.000 -4.095 0.515) 4.127 16.085 ( 0.000 5.051 -2.823) 5.786 16.487 ( 0.000 -0.621 3.926) 3.975 16.578 ( 0.000 1.699 0.435) 1.754 18.723 ( 0.000 0.224 -0.187) 0.292 18.727 ( 0.000 0.381 -0.325) 0.501 18.771 ( 0.000 0.567 0.104) 0.577 18.771 ( -0.000 0.584 0.067) 0.588 19.772 ( 0.000 0.369 -0.117) 0.387 19.773 ( -0.000 0.443 -0.143) 0.466 20.210 ( 0.000 0.251 -0.066) 0.260 20.214 ( -0.000 0.485 -0.176) 0.516 41.549 ( 0.000 0.658 -0.111) 0.667 41.552 ( 0.000 0.571 -0.211) 0.609 41.750 ( 0.000 0.780 0.604) 0.987 41.781 ( 0.000 0.405 -0.364) 0.545 42.445 ( -0.000 7.924 1.714) 8.107 42.547 ( -0.000 7.668 -0.625) 7.694 42.592 ( 0.000 9.324 1.048) 9.383 42.620 ( -0.000 6.739 1.527) 6.910 42.715 ( -0.000 5.793 1.609) 6.012 42.772 ( 0.000 7.143 -1.014) 7.215 42.816 ( 0.000 3.377 -0.605) 3.431 42.844 ( 0.000 3.864 -1.174) 4.039 43.287 ( 0.000 2.840 2.545) 3.814 43.301 ( -0.000 2.526 2.393) 3.479 43.456 ( 0.000 4.854 -3.225) 5.828 43.459 ( -0.000 4.713 -3.046) 5.612 49.205 ( 0.000 -13.158 3.281) 13.560 49.296 ( 0.000 -13.565 4.362) 14.249 49.366 ( -0.000 -13.215 -3.671) 13.716 49.454 ( 0.000 -13.603 -2.486) 13.828 50.012 ( -0.000 -2.682 2.304) 3.535 50.053 ( 0.000 -3.135 2.788) 4.196 50.140 ( -0.000 -3.617 -3.308) 4.902 50.180 ( 0.000 -4.035 -2.773) 4.896 65.410 ( -0.000 -11.483 0.169) 11.484 65.426 ( 0.000 -12.490 -0.337) 12.495 65.901 ( 0.000 -8.954 2.137) 9.206 66.038 ( -0.000 -13.093 -2.166) 13.271 88.228 ( 0.000 0.965 -2.167) 2.372 88.295 ( 0.000 -1.286 -3.393) 3.628 88.536 ( 0.000 0.337 2.169) 2.196 88.572 ( 0.000 1.646 -1.734) 2.390 88.685 ( -0.000 -3.409 -0.177) 3.413 88.693 ( 0.000 -1.631 0.923) 1.874 88.864 ( 0.000 -0.448 0.051) 0.450 88.932 ( 0.000 -0.016 -3.389) 3.389 89.125 ( -0.000 -8.284 0.497) 8.299 89.160 ( 0.000 -5.128 -0.676) 5.172 89.302 ( 0.000 -2.454 7.019) 7.435 89.450 ( 0.000 -6.601 0.321) 6.609 90.368 ( 0.000 3.059 1.342) 3.341 90.751 ( 0.000 10.155 -16.170) 19.094 91.422 ( 0.000 -12.767 18.166) 22.204 91.876 ( 0.000 -9.843 -1.861) 10.017 ======================= Grid point 217 (77/112) ======================= q-point: ( 0.00 0.38 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.419 ( 0.000 9.013 6.459) 11.089 2.494 ( 0.000 4.453 9.982) 10.930 2.556 ( 0.000 4.722 2.989) 5.588 2.662 ( 0.000 8.614 3.660) 9.360 2.784 ( 0.000 0.069 2.617) 2.618 2.831 ( 0.000 7.164 -3.402) 7.931 2.894 ( 0.000 6.410 -4.514) 7.840 3.057 ( 0.000 -1.929 8.879) 9.087 3.215 ( 0.000 10.377 -15.032) 18.266 3.346 ( 0.000 0.932 -2.032) 2.235 3.392 ( 0.000 0.224 -0.540) 0.585 3.512 ( 0.000 -3.579 -3.483) 4.994 3.612 ( 0.000 -5.100 5.688) 7.640 3.877 ( 0.000 -0.560 -5.704) 5.732 4.171 ( 0.000 6.321 5.143) 8.149 4.282 ( 0.000 -4.117 14.754) 15.318 4.364 ( 0.000 9.395 -1.734) 9.554 4.965 ( 0.000 0.512 -15.999) 16.008 5.374 ( 0.000 -13.878 6.698) 15.410 5.700 ( 0.000 -5.981 -4.846) 7.698 6.056 ( 0.000 -3.977 6.707) 7.797 6.250 ( 0.000 -8.585 -2.857) 9.048 6.308 ( 0.000 7.975 3.195) 8.591 6.421 ( 0.000 4.599 -2.451) 5.211 6.823 ( 0.000 1.640 5.483) 5.723 7.100 ( 0.000 4.648 -2.370) 5.217 7.123 ( 0.000 -1.965 6.530) 6.820 7.345 ( 0.000 -2.407 -4.079) 4.737 7.605 ( 0.000 -3.678 -0.214) 3.684 7.793 ( 0.000 -13.240 -9.434) 16.257 8.002 ( 0.000 0.786 1.031) 1.297 8.109 ( 0.000 0.901 -3.907) 4.010 14.651 ( 0.000 -4.987 5.660) 7.544 14.893 ( 0.000 -2.097 -5.424) 5.816 15.029 ( 0.000 -2.839 1.935) 3.436 15.120 ( 0.000 -4.013 -2.220) 4.586 15.582 ( 0.000 -3.734 2.464) 4.474 15.707 ( 0.000 -3.766 -3.237) 4.966 15.960 ( 0.000 -2.018 1.565) 2.553 16.059 ( 0.000 0.091 -2.850) 2.851 16.181 ( 0.000 4.263 3.448) 5.483 16.316 ( 0.000 -0.631 6.214) 6.246 16.319 ( 0.000 0.704 -2.895) 2.979 16.563 ( 0.000 2.682 -5.301) 5.941 18.725 ( 0.000 0.130 -0.041) 0.136 18.729 ( 0.000 0.149 -0.171) 0.227 18.784 ( 0.000 0.325 0.264) 0.419 18.791 ( 0.000 0.497 -0.122) 0.512 19.750 ( 0.000 -0.148 1.480) 1.488 19.815 ( 0.000 0.478 -1.510) 1.583 20.196 ( 0.000 0.306 1.468) 1.499 20.254 ( 0.000 0.341 -1.212) 1.259 41.594 ( 0.000 0.259 -0.028) 0.261 41.596 ( 0.000 0.129 -0.108) 0.169 41.774 ( 0.000 0.180 0.749) 0.770 41.796 ( 0.000 -0.275 0.059) 0.281 42.330 ( 0.000 2.305 4.587) 5.134 42.466 ( 0.000 5.611 -0.053) 5.611 42.651 ( 0.000 4.774 -1.073) 4.894 42.719 ( 0.000 8.005 -2.634) 8.427 42.952 ( 0.000 7.616 0.748) 7.653 42.990 ( 0.000 4.678 -0.162) 4.681 43.089 ( 0.000 2.065 1.414) 2.503 43.136 ( 0.000 3.453 0.144) 3.456 43.171 ( 0.000 2.525 1.060) 2.738 43.243 ( 0.000 2.860 -2.076) 3.534 43.504 ( 0.000 1.457 6.229) 6.397 43.794 ( 0.000 4.725 -6.784) 8.267 48.864 ( 0.000 -11.609 4.139) 12.325 49.018 ( 0.000 -9.834 -2.996) 10.280 49.121 ( 0.000 -9.433 3.454) 10.046 49.265 ( 0.000 -11.021 -3.128) 11.457 49.739 ( 0.000 -1.104 3.310) 3.490 49.901 ( 0.000 -1.366 -4.071) 4.294 50.239 ( 0.000 -1.996 1.577) 2.544 50.313 ( 0.000 -3.568 -1.802) 3.997 65.072 ( 0.000 -6.621 4.550) 8.034 65.274 ( 0.000 -12.234 -4.749) 13.124 65.646 ( 0.000 -2.038 6.049) 6.383 65.912 ( 0.000 -7.491 -6.180) 9.711 88.417 ( 0.000 0.266 -1.887) 1.906 88.437 ( 0.000 0.755 -0.480) 0.895 88.448 ( 0.000 0.421 -1.007) 1.091 88.534 ( 0.000 -1.879 -5.886) 6.179 88.553 ( 0.000 -0.197 0.833) 0.856 88.587 ( 0.000 -0.718 -0.719) 1.016 88.865 ( 0.000 -4.473 -1.387) 4.683 88.867 ( 0.000 -0.343 -0.252) 0.426 88.895 ( 0.000 0.102 -1.589) 1.592 88.921 ( 0.000 -6.213 -3.263) 7.018 89.097 ( 0.000 -1.835 1.983) 2.702 89.108 ( 0.000 -2.352 1.590) 2.839 90.547 ( 0.000 0.840 16.683) 16.705 91.053 ( 0.000 9.029 -10.217) 13.635 91.430 ( 0.000 -7.183 10.735) 12.917 91.830 ( 0.000 -10.872 -4.336) 11.705 ======================= Grid point 218 (78/112) ======================= q-point: ( 0.17 0.38 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.506 ( 1.915 2.709 8.117) 8.769 2.516 ( 7.361 10.059 7.089) 14.339 2.628 ( 3.928 2.682 0.859) 4.833 2.646 ( 1.777 8.432 3.640) 9.354 2.753 ( -0.557 8.392 0.201) 8.413 2.891 ( 2.891 5.769 -5.616) 8.554 2.947 ( 6.036 1.493 0.529) 6.240 3.094 ( 3.822 -1.798 7.180) 8.330 3.195 ( -1.049 6.647 -9.807) 11.894 3.300 ( -4.064 2.076 -1.057) 4.684 3.398 ( -1.174 1.254 -0.048) 1.719 3.495 ( 0.487 -3.308 -4.013) 5.223 3.688 ( 6.598 -2.483 3.070) 7.689 3.913 ( 3.424 -1.381 -5.829) 6.900 4.158 ( -1.734 6.248 5.273) 8.358 4.297 ( 1.762 -4.350 13.910) 14.680 4.344 ( -2.222 8.672 0.171) 8.954 4.990 ( 2.825 -0.071 -15.891) 16.140 5.267 ( -10.491 -13.788 5.510) 18.181 5.589 ( -9.419 -6.145 -7.516) 13.526 6.148 ( 6.335 -3.312 6.173) 9.445 6.266 ( 2.410 0.341 5.728) 6.224 6.330 ( 1.721 4.151 -1.881) 4.872 6.459 ( 3.981 0.104 -2.822) 4.881 6.761 ( -5.327 2.210 4.967) 7.612 7.013 ( -6.773 2.689 -3.880) 8.256 7.136 ( 0.381 -4.248 5.124) 6.666 7.401 ( 3.091 -3.095 -4.657) 6.390 7.581 ( -2.281 -1.332 -0.312) 2.659 7.693 ( -7.335 -7.835 -5.027) 11.851 8.060 ( 4.015 -1.818 -0.482) 4.434 8.133 ( 2.284 -0.414 -3.255) 3.998 14.665 ( 1.411 -4.215 4.985) 6.679 14.890 ( -0.402 -1.516 -5.405) 5.627 15.017 ( -1.219 -3.645 2.538) 4.606 15.122 ( 0.219 -4.635 -2.115) 5.099 15.611 ( 2.927 -3.261 2.136) 4.875 15.721 ( 1.280 -3.259 -2.947) 4.576 15.952 ( -0.680 -2.397 1.415) 2.865 16.030 ( -2.945 -0.662 -1.993) 3.617 16.175 ( -0.931 4.819 2.292) 5.417 16.253 ( -2.767 2.256 0.589) 3.618 16.384 ( 3.213 -1.445 2.392) 4.259 16.565 ( 0.227 1.438 -4.198) 4.443 18.725 ( 0.063 0.151 -0.032) 0.167 18.730 ( 0.100 0.159 -0.177) 0.258 18.782 ( -0.107 0.337 0.240) 0.427 18.789 ( -0.187 0.487 -0.110) 0.533 19.754 ( 0.472 -0.004 1.247) 1.334 19.811 ( -0.442 0.536 -1.335) 1.505 20.198 ( 0.254 0.294 1.257) 1.316 20.248 ( -0.549 0.325 -1.061) 1.239 41.586 ( -0.785 0.313 -0.045) 0.846 41.587 ( -0.830 0.220 -0.086) 0.863 41.771 ( -0.274 0.281 0.712) 0.813 41.793 ( -0.311 -0.214 0.033) 0.379 42.378 ( 4.896 2.710 4.076) 6.923 42.496 ( 3.084 5.627 0.121) 6.418 42.678 ( 2.810 4.640 -0.890) 5.497 42.742 ( 2.422 7.598 -2.474) 8.350 42.915 ( -3.664 7.329 0.766) 8.229 42.952 ( -3.725 5.018 -0.186) 6.252 43.058 ( -2.950 2.396 0.992) 3.928 43.094 ( -3.957 3.459 0.089) 5.257 43.203 ( 2.780 2.274 1.588) 3.927 43.290 ( 4.311 2.724 -2.340) 5.611 43.486 ( -1.774 1.606 5.930) 6.395 43.759 ( -3.542 4.566 -6.403) 8.625 48.882 ( 1.897 -11.364 4.092) 12.226 49.038 ( 1.984 -9.830 -3.073) 10.489 49.108 ( -1.357 -9.624 3.547) 10.346 49.254 ( -1.159 -10.957 -3.126) 11.453 49.772 ( 3.431 -1.164 3.119) 4.780 49.925 ( 2.479 -1.540 -3.842) 4.825 50.206 ( -3.470 -1.952 1.636) 4.304 50.282 ( -3.166 -3.455 -1.870) 5.046 65.094 ( 2.268 -6.989 3.841) 8.291 65.266 ( -0.883 -11.396 -3.966) 12.098 65.667 ( 2.141 -3.028 5.097) 6.303 65.897 ( -1.569 -7.507 -5.325) 9.337 88.352 ( -4.111 1.058 -1.740) 4.588 88.403 ( -4.774 -0.559 -2.244) 5.304 88.472 ( 2.296 0.795 0.105) 2.432 88.544 ( 3.279 0.636 -3.445) 4.798 88.602 ( 2.084 -1.114 0.411) 2.398 88.619 ( 2.279 -0.960 -0.418) 2.508 88.831 ( -0.789 -3.352 -0.729) 3.520 88.882 ( -0.784 -7.106 -3.250) 7.853 88.922 ( 2.306 -0.518 -1.426) 2.761 88.939 ( 2.922 -1.451 -2.058) 3.857 89.133 ( 3.465 -2.111 2.726) 4.888 89.166 ( 5.210 -3.307 1.118) 6.271 90.536 ( -1.086 2.230 15.209) 15.409 91.038 ( -1.531 9.745 -10.979) 14.760 91.369 ( -6.062 -8.039 11.982) 15.650 91.791 ( -3.830 -10.725 -4.504) 12.247 ======================= Grid point 219 (79/112) ======================= q-point: ( 0.33 0.38 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 236 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.525 ( 0.102 5.395 4.994) 7.352 2.573 ( -0.909 7.701 4.996) 9.224 2.672 ( 3.205 7.939 2.704) 8.979 2.755 ( 6.073 5.676 -0.266) 8.317 2.825 ( 5.914 5.982 -0.549) 8.430 2.902 ( -1.364 4.918 -2.843) 5.842 3.088 ( 4.698 4.440 -1.292) 6.592 3.158 ( 1.811 -2.493 -4.889) 5.779 3.209 ( 3.021 -3.526 -0.026) 4.643 3.262 ( 2.930 6.844 2.788) 7.950 3.364 ( -1.012 -0.282 2.932) 3.115 3.512 ( -0.039 -0.704 -2.899) 2.983 3.820 ( 6.351 1.571 2.786) 7.111 3.989 ( 3.739 -0.293 -3.576) 5.182 4.097 ( -4.447 5.102 5.045) 8.441 4.288 ( -2.954 6.265 1.370) 7.060 4.362 ( 5.591 -7.330 12.276) 15.353 5.021 ( -14.365 -11.808 4.936) 19.239 5.073 ( 5.730 -1.110 -15.804) 16.847 5.403 ( -9.638 -5.707 -12.062) 16.461 6.203 ( 0.342 2.384 5.036) 5.582 6.300 ( -0.217 5.500 3.348) 6.443 6.425 ( 7.975 -0.590 2.894) 8.505 6.543 ( 3.883 -4.939 -0.345) 6.292 6.674 ( -2.651 3.877 2.838) 5.488 6.895 ( -5.604 1.907 -4.062) 7.179 7.129 ( -0.088 -9.168 -0.038) 9.168 7.350 ( -8.723 -9.567 -8.747) 15.624 7.551 ( 0.263 2.796 2.944) 4.069 7.625 ( -0.148 0.191 0.378) 0.448 8.119 ( 2.087 -1.583 -0.469) 2.661 8.178 ( 2.040 -2.819 -2.335) 4.191 14.697 ( 1.779 -2.208 3.214) 4.286 14.878 ( -0.732 -0.684 -4.860) 4.962 14.991 ( -1.231 -5.448 3.683) 6.690 15.127 ( 0.245 -5.768 -1.891) 6.075 15.683 ( 4.391 -1.912 0.999) 4.892 15.747 ( 1.257 -1.845 -2.190) 3.127 15.939 ( -0.710 -3.904 0.945) 4.078 15.959 ( -4.094 -2.401 -0.311) 4.757 16.144 ( -1.866 5.143 1.255) 5.613 16.221 ( -0.816 5.623 -1.407) 5.854 16.433 ( 1.847 -2.511 3.017) 4.338 16.570 ( 0.260 -0.964 -2.107) 2.331 18.727 ( 0.077 0.198 -0.017) 0.213 18.732 ( 0.105 0.172 -0.183) 0.272 18.781 ( -0.063 0.369 0.161) 0.407 18.785 ( -0.249 0.457 -0.063) 0.524 19.767 ( 0.797 0.315 0.638) 1.069 19.799 ( -0.771 0.624 -0.845) 1.302 20.205 ( 0.538 0.272 0.708) 0.930 20.235 ( -0.829 0.287 -0.633) 1.082 41.569 ( -0.820 0.435 -0.045) 0.929 41.571 ( -0.782 0.386 -0.084) 0.876 41.766 ( -0.252 0.463 0.639) 0.828 41.787 ( -0.299 -0.111 -0.010) 0.319 42.499 ( 7.341 4.133 2.802) 8.878 42.577 ( 5.364 5.422 0.528) 7.645 42.750 ( 4.632 4.358 -0.282) 6.366 42.803 ( 3.476 6.491 -2.042) 7.641 42.829 ( -5.069 6.711 0.615) 8.433 42.858 ( -5.710 5.381 0.132) 7.847 42.985 ( -4.753 2.619 0.231) 5.432 43.001 ( -5.424 3.866 -0.070) 6.661 43.266 ( 3.772 1.957 2.536) 4.948 43.372 ( 2.282 1.966 -0.787) 3.113 43.458 ( 0.704 2.661 2.707) 3.861 43.668 ( -5.954 4.153 -5.353) 9.019 48.928 ( 2.766 -10.635 3.863) 11.648 49.065 ( -1.528 -10.249 2.379) 10.632 49.093 ( 2.088 -9.772 -1.841) 10.160 49.223 ( -1.951 -10.871 -3.019) 11.450 49.863 ( 5.936 -1.316 2.641) 6.628 49.992 ( 4.481 -1.976 -3.269) 5.888 50.115 ( -5.913 -1.836 1.829) 6.457 50.201 ( -5.244 -3.142 -2.102) 6.465 65.147 ( 3.096 -7.806 2.039) 8.642 65.242 ( -1.678 -9.894 -2.235) 10.281 65.718 ( 2.953 -4.674 2.914) 6.249 65.857 ( -2.440 -7.584 -3.109) 8.552 88.286 ( -2.620 1.796 -2.171) 3.848 88.320 ( -3.382 0.157 -2.391) 4.145 88.516 ( 2.124 0.631 1.509) 2.681 88.591 ( 0.995 0.432 -2.384) 2.619 88.627 ( 0.280 -1.617 -0.091) 1.643 88.656 ( 1.935 -0.276 0.316) 1.981 88.834 ( 0.606 -2.960 -0.844) 3.137 88.869 ( -0.467 -8.096 -3.351) 8.775 88.968 ( 2.510 -1.145 -0.958) 2.920 89.014 ( 4.099 -3.062 -2.314) 5.615 89.206 ( 3.604 -2.454 3.698) 5.717 89.268 ( 4.841 -4.818 0.514) 6.849 90.513 ( -1.125 6.057 11.308) 12.878 91.005 ( -1.685 11.324 -12.774) 17.153 91.236 ( -6.864 -10.534 15.449) 19.919 91.710 ( -3.987 -10.457 -4.846) 12.196 ======================= Grid point 220 (80/112) ======================= q-point: (-0.50 0.38 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.524 ( 0.000 6.953 1.893) 7.206 2.555 ( -0.000 8.123 4.730) 9.400 2.732 ( 0.000 7.984 5.352) 9.612 2.792 ( -0.000 6.934 -5.251) 8.698 2.884 ( 0.000 2.916 1.171) 3.142 2.894 ( -0.000 2.562 2.190) 3.370 3.094 ( 0.000 5.809 -8.523) 10.314 3.171 ( 0.000 0.504 -1.167) 1.272 3.270 ( -0.000 0.467 -1.952) 2.007 3.292 ( 0.000 -2.342 -0.628) 2.425 3.432 ( 0.000 3.667 2.987) 4.730 3.469 ( 0.000 -2.926 1.900) 3.489 3.898 ( 0.000 4.737 8.795) 9.989 3.989 ( -0.000 3.047 0.735) 3.134 4.062 ( 0.000 2.998 0.702) 3.079 4.258 ( 0.000 4.117 2.457) 4.795 4.461 ( 0.000 -13.715 6.794) 15.306 4.832 ( -0.000 -7.134 6.950) 9.959 5.170 ( 0.000 -0.579 -17.286) 17.296 5.270 ( -0.000 -6.338 -12.993) 14.457 6.201 ( -0.000 2.946 4.101) 5.049 6.293 ( 0.000 7.624 1.170) 7.713 6.522 ( 0.000 -0.704 8.179) 8.210 6.565 ( 0.000 -6.138 1.800) 6.397 6.684 ( 0.000 1.963 -3.034) 3.614 6.817 ( 0.000 4.019 -1.342) 4.237 7.181 ( 0.000 -10.388 -5.086) 11.566 7.191 ( -0.000 -11.745 -6.425) 13.388 7.558 ( 0.000 4.000 3.388) 5.242 7.631 ( 0.000 1.300 1.081) 1.691 8.138 ( 0.000 -1.190 -0.255) 1.217 8.198 ( 0.000 -3.713 -2.002) 4.218 14.717 ( 0.000 -0.723 1.905) 2.037 14.869 ( 0.000 -0.765 -3.976) 4.048 14.979 ( 0.000 -6.362 4.077) 7.556 15.130 ( 0.000 -6.284 -1.771) 6.528 15.743 ( 0.000 -0.327 -0.687) 0.761 15.757 ( 0.000 -0.634 -1.460) 1.591 15.902 ( -0.000 -4.485 1.597) 4.761 15.936 ( -0.000 -5.126 0.266) 5.133 16.124 ( 0.000 5.729 1.030) 5.821 16.214 ( 0.000 6.951 -2.433) 7.365 16.451 ( 0.000 -2.908 3.251) 4.362 16.573 ( 0.000 -2.117 -1.122) 2.396 18.728 ( 0.000 0.223 -0.012) 0.224 18.733 ( 0.000 0.176 -0.179) 0.251 18.781 ( 0.000 0.417 0.055) 0.421 18.782 ( -0.000 0.409 0.022) 0.410 19.782 ( 0.000 0.570 -0.107) 0.580 19.784 ( -0.000 0.573 -0.160) 0.595 20.216 ( 0.000 0.276 0.098) 0.293 20.221 ( -0.000 0.250 -0.082) 0.263 41.561 ( 0.000 0.517 -0.042) 0.518 41.563 ( 0.000 0.447 -0.091) 0.456 41.763 ( 0.000 0.546 0.602) 0.813 41.784 ( 0.000 -0.068 -0.028) 0.073 42.595 ( -0.000 6.376 1.965) 6.672 42.673 ( -0.000 4.397 0.320) 4.408 42.741 ( 0.000 4.915 1.042) 5.025 42.762 ( 0.000 6.452 0.630) 6.482 42.823 ( -0.000 4.544 -0.348) 4.558 42.892 ( -0.000 4.242 0.302) 4.253 42.894 ( 0.000 3.771 -1.402) 4.023 42.924 ( 0.000 4.348 -0.839) 4.428 43.335 ( 0.000 1.781 3.309) 3.758 43.342 ( -0.000 1.463 3.177) 3.498 43.547 ( 0.001 3.707 -3.674) 5.220 43.547 ( -0.001 3.620 -3.589) 5.097 48.965 ( 0.000 -9.632 3.388) 10.211 49.036 ( 0.000 -11.229 4.205) 11.991 49.128 ( -0.000 -9.497 -3.570) 10.146 49.196 ( 0.000 -11.042 -2.670) 11.360 49.973 ( -0.000 -1.177 1.918) 2.251 50.001 ( 0.000 -1.999 2.228) 2.994 50.081 ( -0.000 -2.196 -2.678) 3.464 50.107 ( 0.000 -2.980 -2.341) 3.790 65.201 ( -0.000 -8.557 -0.118) 8.558 65.203 ( 0.000 -8.896 -0.202) 8.899 65.757 ( 0.000 -5.092 0.984) 5.186 65.823 ( -0.000 -7.915 -1.070) 7.987 88.261 ( 0.000 2.106 -2.378) 3.177 88.287 ( 0.000 0.459 -2.353) 2.398 88.540 ( 0.000 0.246 2.772) 2.782 88.594 ( 0.000 0.341 -1.621) 1.656 88.628 ( -0.000 -2.017 -1.019) 2.260 88.675 ( 0.000 0.230 -0.143) 0.271 88.841 ( 0.000 -2.137 -0.843) 2.297 88.865 ( 0.000 -8.178 -3.221) 8.789 88.996 ( 0.000 -2.026 -0.410) 2.067 89.059 ( 0.000 -4.207 -2.054) 4.681 89.244 ( 0.000 -2.597 3.978) 4.750 89.319 ( 0.000 -5.631 0.241) 5.636 90.501 ( 0.000 8.852 8.572) 12.322 90.987 ( 0.000 12.161 -13.833) 18.418 91.162 ( 0.000 -12.405 17.958) 21.826 91.668 ( 0.000 -10.337 -5.015) 11.489 ======================= Grid point 224 (81/112) ======================= q-point: ( 0.00 0.46 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.469 ( 0.000 0.057 3.972) 3.973 2.539 ( 0.000 0.714 11.983) 12.005 2.645 ( 0.000 0.810 -4.307) 4.383 2.800 ( 0.000 4.185 6.092) 7.391 2.891 ( 0.000 7.840 8.589) 11.629 2.926 ( 0.000 3.427 -1.765) 3.855 2.998 ( 0.000 -2.756 8.173) 8.625 3.108 ( 0.000 10.970 -1.157) 11.031 3.292 ( 0.000 -5.707 -1.963) 6.035 3.355 ( 0.000 0.946 -10.239) 10.282 3.401 ( 0.000 -1.194 -3.577) 3.771 3.467 ( 0.000 -0.056 -5.057) 5.057 3.503 ( 0.000 -2.199 3.078) 3.783 3.836 ( 0.000 -2.093 -8.124) 8.389 4.178 ( 0.000 -3.763 15.197) 15.656 4.273 ( 0.000 2.805 6.255) 6.855 4.568 ( 0.000 8.647 -6.413) 10.766 4.952 ( 0.000 -1.097 -21.301) 21.329 5.102 ( 0.000 -10.507 15.142) 18.430 5.608 ( 0.000 -2.465 -5.955) 6.445 6.028 ( 0.000 0.512 4.457) 4.487 6.124 ( 0.000 -3.664 -0.983) 3.794 6.440 ( 0.000 4.025 -0.213) 4.030 6.492 ( 0.000 1.878 -1.443) 2.368 6.848 ( 0.000 0.868 8.208) 8.254 7.088 ( 0.000 -1.129 7.290) 7.377 7.267 ( 0.000 10.757 -4.268) 11.573 7.302 ( 0.000 -1.335 -3.301) 3.561 7.516 ( 0.000 -12.457 -5.643) 13.675 7.546 ( 0.000 -2.665 -2.445) 3.616 8.015 ( 0.000 0.381 0.954) 1.028 8.125 ( 0.000 0.505 -4.131) 4.161 14.579 ( 0.000 -1.821 6.598) 6.845 14.864 ( 0.000 -0.749 -6.392) 6.436 14.989 ( 0.000 -1.012 1.604) 1.897 15.064 ( 0.000 -1.426 -1.785) 2.285 15.530 ( 0.000 -1.301 2.393) 2.724 15.653 ( 0.000 -1.419 -3.363) 3.650 15.930 ( 0.000 -0.787 2.891) 2.996 16.061 ( 0.000 0.026 -3.099) 3.099 16.256 ( 0.000 2.760 1.747) 3.266 16.308 ( 0.000 -0.181 6.370) 6.373 16.315 ( 0.000 -0.925 -1.022) 1.378 16.601 ( 0.000 0.961 -7.116) 7.180 18.727 ( 0.000 0.065 0.063) 0.091 18.730 ( 0.000 0.027 -0.084) 0.088 18.788 ( 0.000 0.125 0.334) 0.356 18.798 ( 0.000 0.182 -0.144) 0.232 19.748 ( 0.000 -0.049 1.673) 1.674 19.822 ( 0.000 0.185 -1.731) 1.741 20.200 ( 0.000 0.129 1.570) 1.575 20.259 ( 0.000 0.122 -1.120) 1.126 41.598 ( 0.000 0.054 -0.029) 0.062 41.598 ( 0.000 0.112 -0.041) 0.119 41.777 ( 0.000 0.061 0.692) 0.695 41.792 ( 0.000 -0.145 0.138) 0.201 42.360 ( 0.000 0.737 5.394) 5.445 42.544 ( 0.000 1.915 -1.254) 2.289 42.719 ( 0.000 1.818 0.366) 1.854 42.841 ( 0.000 3.311 -3.715) 4.976 43.054 ( 0.000 2.107 0.544) 2.176 43.075 ( 0.000 3.413 0.073) 3.413 43.109 ( 0.000 0.005 1.404) 1.404 43.185 ( 0.000 1.125 -0.940) 1.466 43.206 ( 0.000 0.858 1.110) 1.403 43.284 ( 0.000 1.041 -2.210) 2.443 43.525 ( 0.000 0.560 7.842) 7.862 43.861 ( 0.000 1.716 -7.535) 7.727 48.695 ( 0.000 -4.406 4.811) 6.524 48.877 ( 0.000 -3.674 -3.553) 5.111 48.984 ( 0.000 -3.554 2.911) 4.594 49.105 ( 0.000 -4.164 -2.605) 4.912 49.725 ( 0.000 -0.352 3.213) 3.232 49.882 ( 0.000 -0.489 -3.972) 4.002 50.213 ( 0.000 -0.609 1.019) 1.187 50.262 ( 0.000 -1.332 -1.226) 1.811 64.978 ( 0.000 -2.382 2.799) 3.676 65.101 ( 0.000 -4.390 -2.867) 5.244 65.620 ( 0.000 -0.599 4.030) 4.074 65.808 ( 0.000 -2.598 -4.673) 5.347 88.435 ( 0.000 1.007 -2.502) 2.697 88.448 ( 0.000 0.308 -0.407) 0.511 88.455 ( 0.000 0.158 -0.648) 0.667 88.514 ( 0.000 -0.447 -4.798) 4.819 88.551 ( 0.000 0.032 0.500) 0.501 88.575 ( 0.000 -0.416 -0.485) 0.639 88.781 ( 0.000 -2.792 -2.372) 3.663 88.829 ( 0.000 -2.410 -4.373) 4.993 88.860 ( 0.000 -0.248 0.143) 0.286 88.895 ( 0.000 -0.019 -1.513) 1.513 89.072 ( 0.000 -0.619 1.351) 1.486 89.076 ( 0.000 -0.806 1.242) 1.481 90.559 ( 0.000 0.248 23.094) 23.095 91.191 ( 0.000 3.431 -5.959) 6.876 91.348 ( 0.000 -0.732 4.296) 4.358 91.653 ( 0.000 -5.582 -6.963) 8.924 ======================= Grid point 225 (82/112) ======================= q-point: ( 0.17 0.46 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.516 ( 4.066 -0.265 6.217) 7.433 2.620 ( 7.204 2.530 6.472) 10.009 2.672 ( 3.511 -0.211 -1.096) 3.684 2.797 ( -0.216 4.626 6.394) 7.895 2.927 ( 3.570 7.919 7.427) 11.429 2.979 ( 1.588 -2.462 8.050) 8.567 2.998 ( 2.617 3.256 -5.296) 6.745 3.079 ( -2.544 5.586 2.882) 6.781 3.272 ( -0.098 -4.574 -2.266) 5.106 3.311 ( -2.302 2.810 -7.501) 8.334 3.383 ( -2.843 -3.417 -3.226) 5.492 3.499 ( 3.752 3.362 -8.098) 9.537 3.629 ( 10.326 -1.959 1.756) 10.656 3.858 ( 2.172 -2.748 -6.531) 7.411 4.194 ( 1.602 -3.252 14.087) 14.546 4.261 ( -1.574 2.641 6.128) 6.856 4.546 ( -2.612 9.507 -4.330) 10.768 4.944 ( -3.369 -6.482 -9.914) 12.315 5.016 ( -5.271 -6.184 2.092) 8.391 5.487 ( -10.225 -2.875 -8.978) 13.907 6.108 ( 6.954 -0.675 6.241) 9.368 6.214 ( 7.448 -2.182 2.421) 8.130 6.449 ( 1.035 4.406 -1.135) 4.666 6.516 ( 2.559 2.598 -1.962) 4.141 6.801 ( -4.538 1.460 6.619) 8.157 7.017 ( -6.637 -2.607 3.210) 7.820 7.137 ( -7.606 4.129 -1.829) 8.846 7.331 ( -4.344 -3.386 -9.531) 11.008 7.527 ( 2.844 -4.148 0.937) 5.116 7.576 ( 2.695 -1.486 -0.788) 3.177 8.040 ( 2.387 -0.334 0.701) 2.510 8.133 ( 0.740 0.129 -3.568) 3.646 14.605 ( 2.651 -1.509 6.185) 6.896 14.872 ( 0.780 -0.301 -5.974) 6.032 14.965 ( -2.423 -1.326 1.823) 3.310 15.052 ( -1.117 -1.921 -2.086) 3.048 15.566 ( 3.667 -1.106 2.181) 4.408 15.674 ( 2.157 -1.189 -2.902) 3.806 15.915 ( -1.540 -1.024 2.522) 3.128 16.020 ( -4.005 -0.277 -2.275) 4.615 16.268 ( 0.116 4.142 1.497) 4.405 16.291 ( 0.319 1.145 2.673) 2.925 16.340 ( 1.474 -2.856 1.940) 3.754 16.581 ( -2.032 0.259 -6.417) 6.736 18.728 ( 0.104 0.080 0.070) 0.148 18.731 ( 0.101 0.024 -0.076) 0.129 18.787 ( -0.093 0.127 0.290) 0.330 18.796 ( -0.202 0.179 -0.138) 0.303 19.755 ( 0.698 0.016 1.413) 1.576 19.819 ( -0.344 0.218 -1.527) 1.580 20.202 ( 0.233 0.122 1.364) 1.389 20.253 ( -0.577 0.114 -0.966) 1.131 41.590 ( -0.726 0.086 -0.015) 0.731 41.591 ( -0.698 0.129 -0.046) 0.711 41.775 ( -0.118 0.113 0.647) 0.668 41.789 ( -0.271 -0.148 0.153) 0.345 42.414 ( 5.476 0.865 4.827) 7.351 42.575 ( 3.170 1.952 -0.978) 3.849 42.744 ( 2.544 1.745 0.466) 3.120 42.860 ( 1.882 3.187 -3.493) 5.090 43.012 ( -4.076 2.108 0.385) 4.605 43.042 ( -3.370 3.330 -0.446) 4.758 43.083 ( -2.689 0.091 1.423) 3.044 43.145 ( -3.787 1.275 -0.575) 4.037 43.234 ( 2.537 0.766 1.673) 3.134 43.328 ( 4.083 0.952 -2.423) 4.842 43.509 ( -1.470 0.631 7.234) 7.409 43.824 ( -3.770 1.660 -7.109) 8.216 48.717 ( 2.289 -4.305 4.716) 6.783 48.897 ( 2.014 -3.659 -3.524) 5.464 48.968 ( -1.666 -3.635 3.040) 5.023 49.094 ( -1.106 -4.156 -2.725) 5.091 49.757 ( 3.354 -0.368 2.989) 4.508 49.903 ( 2.234 -0.549 -3.699) 4.356 50.180 ( -3.414 -0.600 1.101) 3.637 50.233 ( -2.990 -1.284 -1.324) 3.513 64.996 ( 1.790 -2.495 2.400) 3.898 65.102 ( 0.026 -4.198 -2.482) 4.877 65.629 ( 1.041 -0.844 3.471) 3.721 65.792 ( -1.585 -2.603 -4.050) 5.068 88.380 ( -3.572 1.260 -1.836) 4.209 88.397 ( -4.008 -0.266 -1.719) 4.369 88.490 ( 2.871 0.792 0.271) 2.990 88.558 ( 2.930 0.448 -2.891) 4.141 88.592 ( 2.237 0.147 0.361) 2.271 88.607 ( 3.204 -0.350 -0.393) 3.247 88.741 ( -2.511 -4.191 -3.065) 5.767 88.770 ( -2.957 -2.598 -3.801) 5.472 88.920 ( 3.401 -0.184 -1.445) 3.700 88.926 ( 2.272 -0.029 -1.418) 2.679 89.103 ( 3.106 -0.764 1.850) 3.695 89.120 ( 4.099 -1.141 1.105) 4.396 90.572 ( 1.573 1.002 21.994) 22.073 91.184 ( -1.244 2.585 -3.231) 4.321 91.280 ( -6.329 0.455 2.132) 6.694 91.610 ( -4.356 -6.091 -7.346) 10.490 ======================= Grid point 226 (83/112) ======================= q-point: ( 0.33 0.46 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 236 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.604 ( 4.899 2.400 6.748) 8.678 2.716 ( 2.283 4.979 2.029) 5.841 2.735 ( 2.008 1.804 3.895) 4.739 2.839 ( 4.031 -1.704 3.422) 5.556 2.938 ( -1.808 -0.337 5.836) 6.119 2.945 ( -4.428 4.515 6.865) 9.334 3.089 ( 3.656 1.181 -5.714) 6.885 3.126 ( 9.524 0.109 2.737) 9.910 3.233 ( -4.155 1.520 -9.143) 10.158 3.341 ( 1.298 -1.607 -2.781) 3.464 3.361 ( 4.132 1.607 -0.925) 4.529 3.544 ( 0.366 2.812 -5.354) 6.059 3.846 ( 10.813 1.596 0.968) 10.973 3.928 ( 6.566 -4.425 -3.292) 8.575 4.186 ( -5.589 2.767 5.022) 8.007 4.233 ( 0.556 -3.561 10.284) 10.897 4.466 ( -5.173 10.059 2.112) 11.507 4.759 ( -11.330 -12.492 8.056) 18.690 5.037 ( 4.267 -1.451 -18.088) 18.641 5.295 ( -9.341 -3.392 -14.150) 17.291 6.239 ( 5.973 0.211 9.089) 10.878 6.329 ( 3.482 -0.909 8.867) 9.569 6.487 ( 2.985 4.632 -3.489) 6.522 6.582 ( 3.610 5.834 -2.673) 7.363 6.715 ( -3.143 0.080 2.063) 3.761 6.898 ( -4.074 -4.191 -3.511) 6.818 7.007 ( -5.973 0.215 -0.580) 6.005 7.167 ( -11.069 -6.933 -7.981) 15.306 7.593 ( 2.997 1.218 2.990) 4.405 7.625 ( 2.024 -0.199 1.464) 2.506 8.091 ( 2.600 -0.860 0.119) 2.741 8.144 ( 0.209 -0.702 -2.273) 2.388 14.673 ( 4.308 -0.383 4.968) 6.587 14.869 ( -2.475 -0.808 -0.800) 2.723 14.925 ( -0.408 -0.467 -1.517) 1.639 15.027 ( -1.414 -3.449 -2.801) 4.663 15.659 ( 5.958 -0.538 1.454) 6.157 15.726 ( 3.135 -0.327 -1.706) 3.584 15.875 ( -2.590 -1.908 1.471) 3.537 15.922 ( -6.061 -0.989 -0.846) 6.199 16.254 ( -0.832 5.239 2.190) 5.739 16.320 ( 1.620 2.222 1.603) 3.183 16.369 ( 1.650 -2.675 0.312) 3.158 16.532 ( -2.844 -2.052 -4.480) 5.689 18.730 ( 0.134 0.125 0.077) 0.199 18.733 ( 0.089 0.001 -0.040) 0.098 18.786 ( -0.032 0.137 0.164) 0.216 18.792 ( -0.280 0.168 -0.100) 0.342 19.772 ( 1.070 0.158 0.732) 1.306 19.809 ( -0.717 0.272 -0.956) 1.226 20.209 ( 0.527 0.111 0.819) 0.981 20.239 ( -0.871 0.093 -0.527) 1.022 41.576 ( -0.697 0.153 -0.004) 0.713 41.576 ( -0.712 0.160 -0.045) 0.731 41.773 ( -0.080 0.252 0.538) 0.600 41.783 ( -0.300 -0.198 0.202) 0.413 42.553 ( 8.882 1.294 3.394) 9.596 42.656 ( 5.143 2.035 -0.178) 5.533 42.808 ( 3.825 1.438 0.715) 4.148 42.909 ( 3.090 2.958 -2.989) 5.218 42.917 ( -5.750 2.006 0.203) 6.093 42.949 ( -6.226 2.847 -0.823) 6.895 43.013 ( -4.525 0.422 1.531) 4.796 43.062 ( -4.474 1.641 -0.596) 4.802 43.292 ( 3.531 0.651 2.817) 4.563 43.397 ( 1.104 0.601 0.604) 1.395 43.498 ( 2.231 1.077 2.050) 3.216 43.727 ( -6.313 1.516 -5.927) 8.791 48.775 ( 3.630 -3.986 4.393) 6.954 48.915 ( -2.519 -3.915 2.457) 5.265 48.954 ( 2.535 -3.560 -2.478) 5.024 49.064 ( -2.102 -4.206 -2.978) 5.566 49.845 ( 5.827 -0.408 2.430) 6.327 49.964 ( 4.128 -0.698 -3.013) 5.158 50.090 ( -5.845 -0.579 1.360) 6.029 50.156 ( -4.945 -1.157 -1.643) 5.338 65.037 ( 2.386 -2.787 1.339) 3.906 65.098 ( -0.583 -3.727 -1.450) 4.041 65.658 ( 1.943 -1.368 1.946) 3.071 65.753 ( -2.477 -2.594 -2.392) 4.311 88.323 ( -2.225 1.309 -1.735) 3.110 88.331 ( -2.664 0.514 -1.585) 3.142 88.542 ( 2.231 1.913 0.969) 3.095 88.591 ( 0.747 -0.186 -1.285) 1.498 88.609 ( -0.672 0.227 -0.320) 0.778 88.665 ( 2.589 -1.240 1.231) 3.123 88.707 ( -1.090 -3.721 -5.104) 6.410 88.758 ( 1.316 -3.876 -3.179) 5.183 88.965 ( 2.031 0.140 -1.289) 2.409 88.978 ( 2.414 -0.707 -1.929) 3.170 89.172 ( 3.590 -0.808 2.326) 4.353 89.199 ( 3.535 -1.827 0.957) 4.092 90.627 ( 4.415 3.931 18.351) 19.280 91.063 ( -10.530 -5.091 11.427) 16.352 91.222 ( 0.168 8.546 -10.283) 13.372 91.512 ( -5.144 -8.125 -8.056) 12.545 ======================= Grid point 227 (84/112) ======================= q-point: (-0.50 0.46 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.665 ( 0.000 7.036 2.841) 7.588 2.710 ( -0.000 7.092 7.340) 10.207 2.804 ( 0.001 -4.874 -0.787) 4.937 2.832 ( -0.001 -1.826 9.918) 10.085 2.899 ( 0.000 1.402 4.030) 4.267 2.930 ( -0.000 0.105 6.380) 6.381 3.128 ( 0.000 1.805 -5.080) 5.391 3.176 ( -0.000 0.003 -11.197) 11.197 3.262 ( 0.000 1.953 -2.221) 2.957 3.322 ( -0.000 -1.066 -4.972) 5.085 3.479 ( 0.000 2.642 -0.009) 2.642 3.500 ( 0.000 1.844 -1.169) 2.183 3.981 ( 0.000 3.191 5.871) 6.682 4.024 ( 0.000 -0.288 2.051) 2.071 4.116 ( 0.000 2.438 0.591) 2.509 4.201 ( -0.000 -7.543 -0.589) 7.566 4.413 ( 0.000 8.589 10.658) 13.688 4.628 ( -0.000 -11.427 7.373) 13.599 5.132 ( 0.000 -1.427 -18.833) 18.887 5.155 ( -0.000 -3.857 -15.812) 16.276 6.304 ( -0.000 3.752 11.332) 11.937 6.349 ( 0.000 -1.553 9.878) 10.000 6.524 ( 0.000 4.183 -2.747) 5.004 6.608 ( 0.000 4.432 -0.022) 4.432 6.705 ( -0.000 2.874 -6.010) 6.662 6.895 ( 0.000 -1.698 -5.440) 5.699 6.948 ( 0.000 -7.485 -2.529) 7.901 7.004 ( -0.000 -5.996 -3.327) 6.857 7.622 ( 0.000 2.138 3.045) 3.721 7.644 ( 0.000 -0.082 2.384) 2.386 8.123 ( 0.000 -0.114 -0.647) 0.657 8.140 ( -0.000 -1.881 -1.143) 2.201 14.737 ( 0.000 2.599 3.223) 4.140 14.816 ( -0.000 -4.625 3.613) 5.868 14.931 ( 0.000 2.069 -3.697) 4.236 15.010 ( 0.000 -5.158 -3.315) 6.132 15.757 ( 0.000 1.628 0.057) 1.629 15.769 ( 0.000 1.497 -0.527) 1.587 15.821 ( -0.000 -3.037 0.981) 3.192 15.841 ( -0.000 -3.927 0.159) 3.930 16.245 ( 0.000 5.889 2.181) 6.280 16.336 ( 0.000 0.834 2.348) 2.491 16.392 ( 0.000 1.155 -2.300) 2.574 16.496 ( -0.000 -5.141 -2.538) 5.733 18.732 ( 0.000 0.177 0.070) 0.190 18.734 ( -0.000 -0.041 -0.003) 0.041 18.787 ( 0.000 0.170 0.011) 0.171 18.787 ( -0.000 0.134 -0.001) 0.134 19.792 ( 0.000 0.302 -0.125) 0.327 19.793 ( -0.000 0.227 -0.153) 0.274 20.221 ( 0.000 0.217 0.163) 0.271 20.224 ( -0.000 -0.030 0.077) 0.083 41.569 ( -0.000 0.204 -0.016) 0.204 41.569 ( 0.000 0.159 -0.029) 0.162 41.773 ( 0.000 0.388 0.462) 0.604 41.780 ( 0.000 -0.293 0.249) 0.384 42.695 ( -0.000 3.251 2.057) 3.848 42.723 ( -0.000 0.534 1.621) 1.707 42.815 ( -0.000 2.268 -0.147) 2.272 42.831 ( 0.000 0.831 -1.041) 1.332 42.905 ( -0.000 3.091 1.122) 3.288 42.933 ( 0.000 0.366 0.272) 0.456 42.973 ( -0.000 2.952 -1.121) 3.158 42.991 ( 0.000 1.378 -1.637) 2.140 43.359 ( 0.000 0.634 3.809) 3.862 43.361 ( -0.000 0.445 3.758) 3.785 43.599 ( 0.001 1.358 -3.979) 4.204 43.599 ( -0.001 1.342 -4.002) 4.221 48.835 ( -0.000 -2.674 3.720) 4.582 48.863 ( 0.000 -5.227 4.041) 6.608 49.000 ( -0.000 -2.633 -3.390) 4.292 49.026 ( 0.000 -5.088 -3.035) 5.925 49.961 ( -0.000 -0.024 1.688) 1.688 49.971 ( 0.000 -0.950 1.797) 2.032 50.053 ( -0.000 -0.495 -2.216) 2.270 50.062 ( 0.000 -1.393 -2.100) 2.520 65.077 ( -0.001 -3.197 -0.058) 3.198 65.077 ( 0.001 -3.218 -0.070) 3.219 65.693 ( 0.000 -1.151 0.102) 1.155 65.712 ( -0.000 -3.076 -0.481) 3.113 88.302 ( 0.000 1.355 -1.755) 2.217 88.304 ( 0.000 0.826 -1.496) 1.709 88.565 ( -0.000 2.815 1.679) 3.278 88.592 ( 0.000 -0.123 -0.929) 0.937 88.602 ( 0.000 -0.609 -1.635) 1.745 88.681 ( 0.000 -7.549 0.188) 7.552 88.707 ( 0.000 2.175 -3.628) 4.230 88.775 ( 0.000 -3.821 -2.378) 4.501 88.988 ( 0.000 0.287 -1.309) 1.340 89.003 ( 0.000 -1.395 -1.693) 2.193 89.211 ( 0.000 -0.386 2.192) 2.226 89.233 ( 0.000 -2.621 1.027) 2.815 90.701 ( 0.000 10.362 13.318) 16.875 90.921 ( -0.000 -11.213 16.338) 19.816 91.230 ( 0.000 11.485 -11.197) 16.040 91.455 ( 0.000 -10.626 -8.265) 13.462 ======================= Grid point 273 (85/112) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.691 ( 0.000 0.000 -26.056) 26.056 1.691 ( 0.000 0.000 26.056) 26.056 1.770 ( 0.000 0.000 -22.454) 22.454 1.770 ( 0.000 0.000 22.454) 22.454 2.570 ( 0.000 0.000 -7.930) 7.930 2.570 ( 0.000 0.000 7.930) 7.930 2.641 ( 0.000 0.000 -9.402) 9.402 2.641 ( 0.000 0.000 9.402) 9.402 3.135 ( 0.000 0.000 -3.836) 3.836 3.135 ( 0.000 0.000 3.836) 3.836 3.309 ( 0.000 0.000 -2.298) 2.298 3.309 ( 0.000 0.000 2.298) 2.298 3.805 ( 0.000 0.000 -39.981) 39.981 3.805 ( 0.000 0.000 39.981) 39.981 3.923 ( 0.000 0.000 -12.995) 12.995 3.923 ( 0.000 0.000 12.995) 12.995 4.039 ( 0.000 0.000 -3.085) 3.085 4.039 ( 0.000 0.000 3.085) 3.085 5.698 ( 0.000 0.000 -17.794) 17.794 5.698 ( 0.000 0.000 17.794) 17.794 6.205 ( 0.000 0.000 -11.600) 11.600 6.205 ( 0.000 0.000 11.600) 11.600 6.508 ( 0.000 0.000 -7.649) 7.649 6.508 ( 0.000 0.000 7.649) 7.649 7.150 ( 0.000 0.000 -14.420) 14.420 7.150 ( 0.000 0.000 14.420) 14.420 7.408 ( 0.000 0.000 -2.124) 2.124 7.408 ( 0.000 0.000 2.124) 2.124 8.127 ( 0.000 0.000 -5.955) 5.955 8.127 ( 0.000 0.000 5.955) 5.955 8.623 ( 0.000 0.000 -15.840) 15.840 8.623 ( 0.000 0.000 15.840) 15.840 15.142 ( 0.000 0.000 -3.525) 3.525 15.142 ( 0.000 0.000 3.525) 3.525 15.490 ( 0.000 0.000 -5.873) 5.873 15.490 ( 0.000 0.000 5.873) 5.873 15.943 ( 0.000 0.000 -1.825) 1.825 15.943 ( 0.000 0.000 1.825) 1.825 16.064 ( 0.000 0.000 -3.160) 3.160 16.064 ( 0.000 0.000 3.160) 3.160 16.128 ( 0.000 0.000 -1.156) 1.156 16.128 ( 0.000 0.000 1.156) 1.156 16.359 ( 0.000 0.000 -4.896) 4.896 16.359 ( 0.000 0.000 4.896) 4.896 18.704 ( 0.000 0.000 -0.141) 0.141 18.704 ( 0.000 0.000 0.141) 0.141 18.742 ( 0.000 0.000 -0.169) 0.169 18.742 ( 0.000 0.000 0.169) 0.169 19.774 ( 0.000 0.000 -0.140) 0.140 19.774 ( 0.000 0.000 0.140) 0.140 20.205 ( 0.000 0.000 -0.299) 0.299 20.205 ( 0.000 0.000 0.299) 0.299 41.576 ( 0.000 0.000 -0.189) 0.189 41.576 ( 0.000 0.000 0.189) 0.189 41.759 ( 0.000 0.000 -0.045) 0.045 41.759 ( 0.000 0.000 0.045) 0.045 41.813 ( 0.000 0.000 -0.111) 0.111 41.813 ( 0.000 0.000 0.111) 0.111 42.245 ( 0.000 0.000 -2.239) 2.239 42.245 ( 0.000 0.000 2.239) 2.239 42.416 ( 0.000 0.000 -10.376) 10.376 42.416 ( 0.000 0.000 10.376) 10.376 42.819 ( 0.000 0.000 -4.112) 4.112 42.819 ( 0.000 0.000 4.112) 4.112 42.890 ( 0.000 0.000 -2.342) 2.342 42.890 ( 0.000 0.000 2.342) 2.342 43.298 ( 0.000 0.000 -4.650) 4.650 43.298 ( 0.000 0.000 4.650) 4.650 49.811 ( 0.000 0.000 -3.817) 3.817 49.811 ( 0.000 0.000 3.817) 3.817 50.124 ( 0.000 0.000 -8.802) 8.802 50.124 ( 0.000 0.000 8.802) 8.802 50.156 ( 0.000 0.000 -0.585) 0.585 50.156 ( 0.000 0.000 0.585) 0.585 50.676 ( 0.000 0.000 -4.727) 4.727 50.676 ( 0.000 0.000 4.727) 4.727 66.240 ( 0.000 0.000 -22.811) 22.811 66.240 ( 0.000 0.000 22.811) 22.811 66.792 ( 0.000 0.000 -3.983) 3.983 66.792 ( 0.000 0.000 3.983) 3.983 88.381 ( 0.000 0.000 -0.300) 0.300 88.381 ( 0.000 0.000 0.300) 0.300 88.604 ( 0.000 0.000 -1.334) 1.334 88.604 ( 0.000 0.000 1.334) 1.334 88.802 ( 0.000 0.000 -0.815) 0.815 88.802 ( 0.000 0.000 0.815) 0.815 88.828 ( 0.000 0.000 -0.379) 0.379 88.828 ( 0.000 0.000 0.379) 0.379 89.032 ( 0.000 0.000 -3.612) 3.612 89.032 ( 0.000 0.000 3.612) 3.612 89.357 ( 0.000 0.000 -0.902) 0.902 89.357 ( 0.000 0.000 0.902) 0.902 91.385 ( 0.000 0.000 -7.954) 7.954 91.385 ( 0.000 0.000 7.954) 7.954 91.780 ( 0.000 0.000 -4.006) 4.006 91.780 ( 0.000 0.000 4.006) 4.006 ======================= Grid point 275 (86/112) ======================= q-point: ( 0.17 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.727 ( 3.491 0.000 -2.877) 4.524 1.727 ( 3.491 0.000 2.877) 4.524 1.903 ( 12.193 0.000 -3.466) 12.676 1.903 ( 12.193 0.000 3.466) 12.676 2.510 ( -3.265 0.000 -8.194) 8.820 2.510 ( -3.265 0.000 8.194) 8.820 2.702 ( 4.066 0.000 -8.370) 9.306 2.702 ( 4.066 0.000 8.370) 9.306 3.049 ( -9.949 0.000 -3.525) 10.555 3.049 ( -9.949 0.000 3.525) 10.555 3.304 ( 1.946 0.000 -1.597) 2.517 3.304 ( 1.946 0.000 1.597) 2.517 3.615 ( -10.181 0.000 -16.635) 19.503 3.615 ( -10.181 0.000 16.635) 19.503 4.109 ( 9.157 0.000 -0.804) 9.192 4.109 ( 9.157 0.000 0.804) 9.192 4.213 ( 16.796 0.000 -12.626) 21.013 4.213 ( 16.796 0.000 12.626) 21.013 5.614 ( -9.442 0.000 -19.551) 21.712 5.614 ( -9.442 0.000 19.551) 21.712 6.262 ( 5.243 0.000 -12.728) 13.766 6.262 ( 5.243 0.000 12.728) 13.766 6.528 ( 2.577 0.000 -8.364) 8.752 6.528 ( 2.577 0.000 8.364) 8.752 6.813 ( -19.673 0.000 -13.215) 23.699 6.813 ( -19.673 0.000 13.215) 23.699 7.720 ( 15.252 0.000 -6.445) 16.558 7.720 ( 15.252 0.000 6.445) 16.558 8.016 ( -8.043 0.000 -9.006) 12.075 8.016 ( -8.043 0.000 9.006) 12.075 8.639 ( 1.058 0.000 -12.645) 12.689 8.639 ( 1.058 0.000 12.645) 12.689 15.157 ( 1.508 0.000 -2.986) 3.345 15.157 ( 1.508 0.000 2.986) 3.345 15.472 ( -1.704 0.000 -5.218) 5.489 15.472 ( -1.704 0.000 5.218) 5.489 15.949 ( 0.553 0.000 -1.615) 1.707 15.949 ( 0.553 0.000 1.615) 1.707 16.058 ( -0.590 0.000 -2.777) 2.839 16.058 ( -0.590 0.000 2.777) 2.839 16.139 ( 1.296 0.000 -1.333) 1.859 16.139 ( 1.296 0.000 1.333) 1.859 16.343 ( -1.706 0.000 -4.648) 4.952 16.343 ( -1.706 0.000 4.648) 4.952 18.705 ( 0.140 0.000 -0.124) 0.187 18.705 ( 0.140 0.000 0.124) 0.187 18.739 ( -0.289 0.000 -0.119) 0.312 18.739 ( -0.289 0.000 0.119) 0.312 19.779 ( 0.398 0.000 -0.047) 0.401 19.779 ( 0.398 0.000 0.047) 0.401 20.202 ( -0.290 0.000 -0.323) 0.434 20.202 ( -0.290 0.000 0.323) 0.434 41.561 ( -1.481 0.000 -0.026) 1.482 41.561 ( -1.481 0.000 0.026) 1.482 41.739 ( -1.606 0.000 -0.142) 1.613 41.739 ( -1.606 0.000 0.142) 1.613 41.855 ( 4.078 0.000 -0.759) 4.148 41.855 ( 4.078 0.000 0.759) 4.148 42.280 ( 3.162 0.000 -2.674) 4.141 42.280 ( 3.162 0.000 2.674) 4.141 42.368 ( -4.484 0.000 -8.906) 9.971 42.368 ( -4.484 0.000 8.906) 9.971 42.752 ( -5.127 0.000 -4.272) 6.674 42.752 ( -5.127 0.000 4.272) 6.674 42.956 ( 4.731 0.000 -3.362) 5.804 42.956 ( 4.731 0.000 3.362) 5.804 43.279 ( -2.001 0.000 -4.741) 5.146 43.279 ( -2.001 0.000 4.741) 5.146 49.835 ( 2.407 0.000 -3.973) 4.646 49.835 ( 2.407 0.000 3.973) 4.646 50.104 ( -2.018 0.000 -8.330) 8.571 50.104 ( -2.018 0.000 8.330) 8.571 50.192 ( 3.647 0.000 -0.956) 3.770 50.192 ( 3.647 0.000 0.956) 3.770 50.642 ( -3.557 0.000 -4.517) 5.749 50.642 ( -3.557 0.000 4.517) 5.749 66.275 ( 3.304 0.000 -21.240) 21.495 66.275 ( 3.304 0.000 21.240) 21.495 66.769 ( -2.300 0.000 -5.305) 5.782 66.769 ( -2.300 0.000 5.305) 5.782 88.385 ( 0.202 0.000 -0.339) 0.394 88.385 ( 0.202 0.000 0.339) 0.394 88.570 ( -2.644 0.000 -1.836) 3.219 88.570 ( -2.644 0.000 1.836) 3.219 88.712 ( -4.871 0.000 -1.854) 5.212 88.712 ( -4.871 0.000 1.854) 5.212 88.919 ( 4.020 0.000 -0.505) 4.052 88.919 ( 4.020 0.000 0.505) 4.052 89.059 ( 3.158 0.000 -2.588) 4.082 89.059 ( 3.158 0.000 2.588) 4.082 89.388 ( 2.852 0.000 -0.569) 2.908 89.388 ( 2.852 0.000 0.569) 2.908 91.394 ( 0.778 0.000 -6.919) 6.962 91.394 ( 0.778 0.000 6.919) 6.962 91.764 ( -1.503 0.000 -3.260) 3.590 91.764 ( -1.503 0.000 3.260) 3.590 ======================= Grid point 277 (87/112) ======================= q-point: ( 0.33 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.810 ( 4.702 0.000 -8.855) 10.026 1.810 ( 4.702 0.000 8.855) 10.026 2.104 ( 6.485 0.000 -5.621) 8.582 2.104 ( 6.485 0.000 5.621) 8.582 2.497 ( 2.258 0.000 -14.284) 14.461 2.497 ( 2.258 0.000 14.284) 14.461 2.736 ( -4.931 0.000 -10.592) 11.683 2.736 ( -4.931 0.000 10.592) 11.683 2.882 ( -1.060 0.000 -6.346) 6.434 2.882 ( -1.060 0.000 6.346) 6.434 3.356 ( 0.376 0.000 -0.180) 0.417 3.356 ( 0.376 0.000 0.180) 0.417 3.476 ( -2.657 0.000 -8.448) 8.856 3.476 ( -2.657 0.000 8.448) 8.856 4.264 ( 6.251 0.000 -0.384) 6.263 4.264 ( 6.251 0.000 0.384) 6.263 4.541 ( 17.600 0.000 -17.550) 24.855 4.541 ( 17.600 0.000 17.550) 24.855 5.340 ( -18.495 0.000 -21.559) 28.405 5.340 ( -18.495 0.000 21.559) 28.405 6.354 ( 3.492 0.000 -10.934) 11.478 6.354 ( 3.492 0.000 10.934) 11.478 6.543 ( -8.837 0.000 -11.921) 14.839 6.543 ( -8.837 0.000 11.921) 14.839 6.629 ( 8.036 0.000 -6.310) 10.217 6.629 ( 8.036 0.000 6.310) 10.217 7.641 ( -14.494 0.000 -0.231) 14.496 7.641 ( -14.494 0.000 0.231) 14.496 8.113 ( 10.665 0.000 -2.189) 10.887 8.113 ( 10.665 0.000 2.189) 10.887 8.647 ( -0.143 0.000 -6.955) 6.956 8.647 ( -0.143 0.000 6.955) 6.956 15.191 ( 1.895 0.000 -1.581) 2.468 15.191 ( 1.895 0.000 1.581) 2.468 15.435 ( -1.982 0.000 -3.232) 3.791 15.435 ( -1.982 0.000 3.232) 3.791 15.958 ( 0.333 0.000 -0.954) 1.010 15.958 ( 0.333 0.000 0.954) 1.010 16.046 ( -0.601 0.000 -1.670) 1.775 16.046 ( -0.601 0.000 1.670) 1.775 16.177 ( 2.616 0.000 -1.905) 3.236 16.177 ( 2.616 0.000 1.905) 3.236 16.299 ( -2.828 0.000 -3.887) 4.807 16.299 ( -2.828 0.000 3.887) 4.807 18.709 ( 0.235 0.000 -0.081) 0.249 18.709 ( 0.235 0.000 0.081) 0.249 18.732 ( -0.367 0.000 -0.035) 0.369 18.732 ( -0.367 0.000 0.035) 0.369 19.786 ( 0.361 0.000 -0.044) 0.363 19.786 ( 0.361 0.000 0.044) 0.363 20.196 ( -0.258 0.000 -0.247) 0.357 20.196 ( -0.258 0.000 0.247) 0.357 41.531 ( -1.375 0.000 -0.215) 1.392 41.531 ( -1.375 0.000 0.215) 1.392 41.712 ( -1.165 0.000 -0.167) 1.177 41.712 ( -1.165 0.000 0.167) 1.177 41.958 ( 6.610 0.000 -2.250) 6.982 41.958 ( 6.610 0.000 2.250) 6.982 42.238 ( -6.979 0.000 -5.932) 9.160 42.238 ( -6.979 0.000 5.932) 9.160 42.381 ( 5.376 0.000 -3.820) 6.595 42.381 ( 5.376 0.000 3.820) 6.595 42.645 ( -6.076 0.000 -4.376) 7.488 42.645 ( -6.076 0.000 4.376) 7.488 43.044 ( 4.486 0.000 -4.500) 6.354 43.044 ( 4.486 0.000 4.500) 6.354 43.228 ( -3.192 0.000 -4.689) 5.672 43.228 ( -3.192 0.000 4.689) 5.672 49.894 ( 3.644 0.000 -4.487) 5.780 49.894 ( 3.644 0.000 4.487) 5.780 50.052 ( -3.314 0.000 -7.089) 7.826 50.052 ( -3.314 0.000 7.089) 7.826 50.286 ( 6.154 0.000 -1.937) 6.451 50.286 ( 6.154 0.000 1.937) 6.451 50.550 ( -6.039 0.000 -3.912) 7.195 50.550 ( -6.039 0.000 3.912) 7.195 66.343 ( 3.331 0.000 -15.020) 15.385 66.343 ( 3.331 0.000 15.020) 15.385 66.719 ( -2.486 0.000 -6.171) 6.653 66.719 ( -2.486 0.000 6.171) 6.653 88.381 ( -0.588 0.000 -0.016) 0.588 88.381 ( -0.588 0.000 0.016) 0.588 88.539 ( -0.354 0.000 -2.918) 2.939 88.539 ( -0.354 0.000 2.918) 2.939 88.631 ( -3.589 0.000 -2.725) 4.506 88.631 ( -3.589 0.000 2.725) 4.506 88.960 ( 0.900 0.000 -0.395) 0.983 88.960 ( 0.900 0.000 0.395) 0.983 89.136 ( 3.900 0.000 -1.439) 4.157 89.136 ( 3.900 0.000 1.439) 4.157 89.441 ( 2.248 0.000 -0.307) 2.269 89.441 ( 2.248 0.000 0.307) 2.269 91.407 ( 0.480 0.000 -4.153) 4.180 91.407 ( 0.480 0.000 4.153) 4.180 91.735 ( -1.295 0.000 -1.564) 2.030 91.735 ( -1.295 0.000 1.564) 2.030 ======================= Grid point 279 (88/112) ======================= q-point: (-0.50 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.864 ( 0.000 0.000 0.000) 0.000 1.864 ( 0.000 0.000 0.000) 0.000 2.152 ( 0.000 0.000 0.000) 0.000 2.152 ( 0.000 0.000 0.000) 0.000 2.556 ( 0.000 0.000 0.000) 0.000 2.556 ( -0.000 0.000 0.000) 0.000 2.618 ( 0.000 0.000 -0.000) 0.000 2.618 ( 0.000 0.000 -0.000) 0.000 2.926 ( 0.000 0.000 0.000) 0.000 2.926 ( 0.000 0.000 0.000) 0.000 3.320 ( 0.000 0.000 0.000) 0.000 3.320 ( 0.000 0.000 0.000) 0.000 3.489 ( 0.000 0.000 0.000) 0.000 3.489 ( 0.000 0.000 0.000) 0.000 4.323 ( 0.000 0.000 0.000) 0.000 4.323 ( 0.000 0.000 0.000) 0.000 4.803 ( -0.000 0.000 0.000) 0.000 4.803 ( 0.000 0.000 0.000) 0.000 5.056 ( -0.000 0.000 -0.000) 0.000 5.056 ( 0.000 0.000 0.000) 0.000 6.388 ( 0.000 0.000 -0.000) 0.000 6.388 ( 0.000 0.000 0.000) 0.000 6.461 ( 0.000 0.000 0.000) 0.000 6.461 ( -0.000 0.000 0.000) 0.000 6.740 ( 0.000 0.000 0.000) 0.000 6.740 ( 0.000 0.000 0.000) 0.000 7.465 ( -0.000 0.000 0.000) 0.000 7.465 ( 0.000 0.000 0.000) 0.000 8.222 ( 0.000 0.000 0.000) 0.000 8.222 ( 0.000 0.000 0.000) 0.000 8.643 ( 0.000 0.000 0.000) 0.000 8.643 ( 0.000 0.000 0.000) 0.000 15.213 ( 0.000 0.000 0.000) 0.000 15.213 ( 0.000 0.000 0.000) 0.000 15.413 ( -0.000 0.000 0.000) 0.000 15.413 ( 0.000 0.000 0.000) 0.000 15.961 ( 0.000 0.000 0.000) 0.000 15.961 ( 0.000 0.000 0.000) 0.000 16.039 ( 0.000 0.000 0.000) 0.000 16.039 ( 0.000 0.000 0.000) 0.000 16.222 ( 0.000 0.000 -0.000) 0.000 16.222 ( 0.000 0.000 0.000) 0.000 16.252 ( -0.000 0.000 0.000) 0.000 16.252 ( -0.000 0.000 0.000) 0.000 18.712 ( 0.000 0.000 0.000) 0.000 18.712 ( 0.000 0.000 0.000) 0.000 18.728 ( -0.000 0.000 0.000) 0.000 18.728 ( 0.000 0.000 0.000) 0.000 19.790 ( 0.000 0.000 0.000) 0.000 19.790 ( 0.000 0.000 0.000) 0.000 20.194 ( 0.000 0.000 0.000) 0.000 20.194 ( 0.000 0.000 0.000) 0.000 41.517 ( 0.000 0.000 0.000) 0.000 41.517 ( 0.000 0.000 0.000) 0.000 41.700 ( 0.000 0.000 0.000) 0.000 41.700 ( 0.000 0.000 0.000) 0.000 42.080 ( -0.000 0.000 -0.000) 0.000 42.080 ( -0.000 0.000 0.000) 0.000 42.111 ( 0.000 0.000 -0.000) 0.000 42.111 ( 0.000 0.000 0.000) 0.000 42.465 ( 0.000 0.000 0.000) 0.000 42.465 ( 0.000 0.000 0.000) 0.000 42.555 ( 0.000 0.000 0.000) 0.000 42.555 ( 0.000 0.000 0.000) 0.000 43.102 ( 0.000 0.000 -0.000) 0.000 43.102 ( 0.000 0.000 0.000) 0.000 43.182 ( -0.000 0.000 -0.000) 0.000 43.182 ( 0.000 0.000 0.000) 0.000 49.949 ( 0.000 0.000 -0.000) 0.000 49.949 ( -0.000 0.000 -0.000) 0.000 50.000 ( 0.000 0.000 0.000) 0.000 50.000 ( -0.000 0.000 0.000) 0.000 50.392 ( -0.000 0.000 -0.000) 0.000 50.392 ( -0.000 0.000 0.000) 0.000 50.446 ( 0.000 0.000 -0.000) 0.000 50.446 ( 0.000 0.000 0.000) 0.000 66.378 ( 0.000 0.000 0.000) 0.000 66.378 ( 0.000 0.000 0.000) 0.000 66.693 ( 0.000 0.000 0.000) 0.000 66.693 ( 0.000 0.000 0.000) 0.000 88.373 ( 0.000 0.000 0.000) 0.000 88.373 ( 0.000 0.000 0.000) 0.000 88.544 ( 0.000 0.000 0.000) 0.000 88.544 ( 0.000 0.000 0.000) 0.000 88.590 ( -0.000 0.000 -0.000) 0.000 88.590 ( 0.000 0.000 0.000) 0.000 88.967 ( 0.000 0.000 0.000) 0.000 88.967 ( 0.000 0.000 0.000) 0.000 89.176 ( 0.000 0.000 0.000) 0.000 89.176 ( 0.000 0.000 0.000) 0.000 89.463 ( 0.000 0.000 0.000) 0.000 89.463 ( 0.000 0.000 0.000) 0.000 91.411 ( 0.000 0.000 0.000) 0.000 91.411 ( 0.000 0.000 0.000) 0.000 91.722 ( 0.000 0.000 0.000) 0.000 91.722 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 287 (89/112) ======================= q-point: ( 0.00 0.08 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 104 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.736 ( 0.000 4.542 -24.189) 24.612 1.736 ( 0.000 4.542 24.189) 24.612 1.820 ( 0.000 4.830 -20.294) 20.861 1.820 ( 0.000 4.830 20.294) 20.861 2.586 ( 0.000 1.526 -6.682) 6.854 2.586 ( 0.000 1.526 6.682) 6.854 2.717 ( 0.000 6.501 -7.799) 10.154 2.717 ( 0.000 6.501 7.799) 10.154 3.122 ( 0.000 -0.816 -5.380) 5.442 3.122 ( 0.000 -0.816 5.380) 5.442 3.303 ( 0.000 -0.016 -3.870) 3.870 3.303 ( 0.000 -0.016 3.870) 3.870 3.788 ( 0.000 -2.036 -23.519) 23.607 3.788 ( 0.000 -2.036 23.519) 23.607 3.954 ( 0.000 2.744 -10.968) 11.306 3.954 ( 0.000 2.744 10.968) 11.306 4.106 ( 0.000 6.488 -15.426) 16.735 4.106 ( 0.000 6.488 15.426) 16.735 5.720 ( 0.000 2.070 -16.216) 16.348 5.720 ( 0.000 2.070 16.216) 16.348 6.209 ( 0.000 0.247 -11.069) 11.072 6.209 ( 0.000 0.247 11.069) 11.072 6.545 ( 0.000 2.954 -6.264) 6.925 6.545 ( 0.000 2.954 6.264) 6.925 7.132 ( 0.000 -1.723 -8.634) 8.804 7.132 ( 0.000 -1.723 8.634) 8.804 7.386 ( 0.000 -1.946 -3.592) 4.085 7.386 ( 0.000 -1.946 3.592) 4.085 8.115 ( 0.000 -1.178 -5.395) 5.522 8.115 ( 0.000 -1.178 5.395) 5.522 8.513 ( 0.000 -10.009 -15.167) 18.172 8.513 ( 0.000 -10.009 15.167) 18.172 15.120 ( 0.000 -2.075 -3.099) 3.730 15.120 ( 0.000 -2.075 3.099) 3.730 15.458 ( 0.000 -2.958 -5.727) 6.446 15.458 ( 0.000 -2.958 5.727) 6.446 15.946 ( 0.000 0.117 -2.541) 2.543 15.946 ( 0.000 0.117 2.541) 2.543 16.061 ( 0.000 -0.334 -3.007) 3.026 16.061 ( 0.000 -0.334 3.007) 3.026 16.110 ( 0.000 -1.519 -2.392) 2.833 16.110 ( 0.000 -1.519 2.392) 2.833 16.367 ( 0.000 0.743 -4.261) 4.325 16.367 ( 0.000 0.743 4.261) 4.325 18.705 ( 0.000 0.113 -0.088) 0.143 18.705 ( 0.000 0.113 0.088) 0.143 18.745 ( 0.000 0.361 -0.158) 0.394 18.745 ( 0.000 0.361 0.158) 0.394 19.774 ( 0.000 -0.001 -0.228) 0.228 19.774 ( 0.000 -0.001 0.228) 0.228 20.204 ( 0.000 -0.039 -0.675) 0.676 20.204 ( 0.000 -0.039 0.675) 0.676 41.578 ( 0.000 0.123 -0.190) 0.226 41.578 ( 0.000 0.123 0.190) 0.226 41.764 ( 0.000 0.397 -0.324) 0.512 41.764 ( 0.000 0.397 0.324) 0.512 41.855 ( 0.000 4.031 -0.443) 4.055 41.855 ( 0.000 4.031 0.443) 4.055 42.265 ( 0.000 1.909 -2.461) 3.114 42.265 ( 0.000 1.909 2.461) 3.114 42.446 ( 0.000 2.932 -9.767) 10.197 42.446 ( 0.000 2.932 9.767) 10.197 42.841 ( 0.000 2.029 -4.221) 4.683 42.841 ( 0.000 2.029 4.221) 4.683 42.911 ( 0.000 2.031 -2.247) 3.029 42.911 ( 0.000 2.031 2.247) 3.029 43.320 ( 0.000 2.054 -4.158) 4.638 43.320 ( 0.000 2.054 4.158) 4.638 49.788 ( 0.000 -2.399 -3.549) 4.284 49.788 ( 0.000 -2.399 3.549) 4.284 50.078 ( 0.000 -4.520 -8.423) 9.559 50.078 ( 0.000 -4.520 8.423) 9.559 50.106 ( 0.000 -4.623 -1.104) 4.753 50.106 ( 0.000 -4.623 1.104) 4.753 50.641 ( 0.000 -3.325 -4.620) 5.692 50.641 ( 0.000 -3.325 4.620) 5.692 66.168 ( 0.000 -6.878 -21.593) 22.662 66.168 ( 0.000 -6.878 21.593) 22.662 66.668 ( 0.000 -11.098 -10.429) 15.229 66.668 ( 0.000 -11.098 10.429) 15.229 88.382 ( 0.000 0.122 -0.490) 0.505 88.382 ( 0.000 0.122 0.490) 0.505 88.604 ( 0.000 -0.076 -1.349) 1.351 88.604 ( 0.000 -0.076 1.349) 1.351 88.800 ( 0.000 -1.374 -4.910) 5.099 88.800 ( 0.000 -1.374 4.910) 5.099 88.833 ( 0.000 0.462 -0.440) 0.638 88.833 ( 0.000 0.462 0.440) 0.638 89.027 ( 0.000 0.417 -0.772) 0.877 89.027 ( 0.000 0.417 0.772) 0.877 89.345 ( 0.000 -1.166 -0.957) 1.509 89.345 ( 0.000 -1.166 0.957) 1.509 91.002 ( 0.000 -22.248 -2.840) 22.429 91.002 ( 0.000 -22.248 2.840) 22.429 92.090 ( 0.000 15.453 -11.074) 19.012 92.090 ( 0.000 15.453 11.074) 19.012 ======================= Grid point 289 (90/112) ======================= q-point: ( 0.17 0.08 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.766 ( 2.437 4.099 -3.125) 5.701 1.766 ( 2.437 4.099 3.125) 5.701 1.936 ( 10.981 3.355 -3.655) 12.050 1.936 ( 10.981 3.355 3.655) 12.050 2.539 ( -3.015 2.303 -6.325) 7.375 2.539 ( -3.015 2.303 6.325) 7.375 2.751 ( 1.858 4.158 -5.398) 7.063 2.751 ( 1.858 4.158 5.398) 7.063 3.069 ( -6.059 2.222 -0.997) 6.531 3.069 ( -6.059 2.222 0.997) 6.531 3.281 ( 0.154 -0.747 -1.233) 1.450 3.281 ( 0.154 -0.747 1.233) 1.450 3.715 ( -5.888 7.872 -13.553) 16.743 3.715 ( -5.888 7.872 13.553) 16.743 4.028 ( 8.830 -5.285 -2.770) 10.657 4.028 ( 8.830 -5.285 2.770) 10.657 4.288 ( 14.227 5.118 -15.597) 21.722 4.288 ( 14.227 5.118 15.597) 21.722 5.630 ( -9.918 1.440 -17.527) 20.190 5.630 ( -9.918 1.440 17.527) 20.190 6.213 ( 0.660 -3.358 -11.561) 12.057 6.213 ( 0.660 -3.358 11.561) 12.057 6.571 ( 1.414 2.756 -2.676) 4.093 6.571 ( 1.414 2.756 2.676) 4.093 6.880 ( -12.822 5.908 -8.192) 16.322 6.880 ( -12.822 5.908 8.192) 16.322 7.664 ( 15.543 -5.630 -4.684) 17.182 7.664 ( 15.543 -5.630 4.684) 17.182 7.982 ( -10.850 -3.040 -8.189) 13.929 7.982 ( -10.850 -3.040 8.189) 13.929 8.550 ( 2.660 -7.915 -11.726) 14.396 8.550 ( 2.660 -7.915 11.726) 14.396 15.128 ( 0.753 -2.729 -2.556) 3.814 15.128 ( 0.753 -2.729 2.556) 3.814 15.449 ( -0.914 -2.260 -4.877) 5.452 15.449 ( -0.914 -2.260 4.877) 5.452 15.946 ( -0.238 -0.246 -1.960) 1.990 15.946 ( -0.238 -0.246 1.960) 1.990 16.046 ( -0.575 -1.530 -1.591) 2.282 16.046 ( -0.575 -1.530 1.591) 2.282 16.130 ( 1.363 -0.524 -1.065) 1.807 16.130 ( 1.363 -0.524 1.065) 1.807 16.359 ( -0.795 1.488 -4.023) 4.362 16.359 ( -0.795 1.488 4.023) 4.362 18.706 ( 0.101 0.084 -0.078) 0.153 18.706 ( 0.101 0.084 0.078) 0.153 18.743 ( -0.260 0.383 -0.107) 0.476 18.743 ( -0.260 0.383 0.107) 0.476 19.777 ( 0.266 -0.127 -0.147) 0.329 19.777 ( 0.266 -0.127 0.147) 0.329 20.202 ( -0.255 -0.007 -0.624) 0.674 20.202 ( -0.255 -0.007 0.624) 0.674 41.562 ( -1.474 0.142 -0.020) 1.480 41.562 ( -1.474 0.142 0.020) 1.480 41.745 ( -1.559 0.516 -0.436) 1.699 41.745 ( -1.559 0.516 0.436) 1.699 41.895 ( 4.001 3.901 -0.880) 5.657 41.895 ( 4.001 3.901 0.880) 5.657 42.300 ( 3.221 1.938 -2.759) 4.663 42.300 ( 3.221 1.938 2.759) 4.663 42.400 ( -4.308 3.125 -8.395) 9.940 42.400 ( -4.308 3.125 8.395) 9.940 42.775 ( -5.036 2.234 -4.191) 6.922 42.775 ( -5.036 2.234 4.191) 6.922 42.975 ( 4.660 1.835 -3.085) 5.882 42.975 ( 4.660 1.835 3.085) 5.882 43.300 ( -2.052 2.013 -4.282) 5.157 43.300 ( -2.052 2.013 4.282) 5.157 49.809 ( 2.137 -2.658 -3.738) 5.060 49.809 ( 2.137 -2.658 3.738) 5.060 50.059 ( -1.863 -4.392 -7.952) 9.273 50.059 ( -1.863 -4.392 7.952) 9.273 50.143 ( 3.803 -4.466 -1.392) 6.029 50.143 ( 3.803 -4.466 1.392) 6.029 50.606 ( -3.631 -3.383 -4.434) 6.655 50.606 ( -3.631 -3.383 4.434) 6.655 66.192 ( 2.163 -7.848 -18.703) 20.398 66.192 ( 2.163 -7.848 18.703) 20.398 66.662 ( -0.555 -9.641 -8.370) 12.780 66.662 ( -0.555 -9.641 8.370) 12.780 88.382 ( -0.482 -0.195 -0.191) 0.554 88.382 ( -0.482 -0.195 0.191) 0.554 88.556 ( -3.416 -1.096 -2.035) 4.125 88.556 ( -3.416 -1.096 2.035) 4.125 88.739 ( -2.597 1.675 -2.208) 3.798 88.739 ( -2.597 1.675 2.208) 3.798 88.931 ( 4.507 0.095 -0.606) 4.548 88.931 ( 4.507 0.095 0.606) 4.548 89.034 ( 1.865 -0.782 -1.506) 2.522 89.034 ( 1.865 -0.782 1.506) 2.522 89.391 ( 4.136 -0.014 -1.229) 4.315 89.391 ( 4.136 -0.014 1.229) 4.315 91.018 ( 1.519 -22.504 -1.686) 22.618 91.018 ( 1.519 -22.504 1.686) 22.618 92.051 ( -3.761 14.192 -9.981) 17.753 92.051 ( -3.761 14.192 9.981) 17.753 ======================= Grid point 291 (91/112) ======================= q-point: ( 0.33 0.08 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.820 ( 2.891 1.695 -10.758) 11.267 1.820 ( 2.891 1.695 10.758) 11.268 2.118 ( 5.926 1.681 -4.839) 7.833 2.118 ( 5.926 1.681 4.839) 7.833 2.525 ( 1.962 2.521 -11.082) 11.533 2.525 ( 1.962 2.521 11.082) 11.533 2.728 ( -5.057 0.406 -9.740) 10.982 2.728 ( -5.057 0.406 9.740) 10.982 2.996 ( 1.003 8.886 -6.751) 11.205 2.996 ( 1.003 8.886 6.751) 11.205 3.292 ( -0.633 -2.106 -2.373) 3.235 3.292 ( -0.633 -2.106 2.373) 3.235 3.644 ( -0.866 12.047 -5.732) 13.369 3.644 ( -0.866 12.047 5.732) 13.369 4.200 ( 7.562 -5.479 -1.710) 9.494 4.200 ( 7.562 -5.479 1.710) 9.494 4.566 ( 14.592 1.699 -20.036) 24.844 4.566 ( 14.592 1.699 20.036) 24.844 5.362 ( -16.986 1.862 -19.014) 25.564 5.362 ( -16.986 1.862 19.014) 25.564 6.233 ( 1.182 -7.504 -11.645) 13.904 6.233 ( 1.182 -7.504 11.645) 13.904 6.525 ( -4.782 0.472 -8.225) 9.526 6.525 ( -4.782 0.472 8.225) 9.526 6.825 ( 5.106 12.385 -15.848) 20.751 6.825 ( 5.106 12.385 15.848) 20.751 7.632 ( -13.743 -1.015 -1.418) 13.854 7.632 ( -13.743 -1.015 1.418) 13.854 8.005 ( 9.214 -10.254 -2.782) 14.063 8.005 ( 9.214 -10.254 2.782) 14.063 8.586 ( 1.064 -5.582 -7.246) 9.208 8.586 ( 1.064 -5.582 7.246) 9.208 15.144 ( 0.777 -4.286 -1.567) 4.629 15.144 ( 0.777 -4.286 1.567) 4.629 15.430 ( -0.861 -0.656 -2.729) 2.936 15.430 ( -0.861 -0.656 2.729) 2.936 15.933 ( -0.934 -1.532 -0.821) 1.973 15.933 ( -0.934 -1.532 0.821) 1.973 16.052 ( 0.880 -1.394 -1.302) 2.101 16.052 ( 0.880 -1.394 1.302) 2.101 16.149 ( 0.627 -0.927 -0.936) 1.459 16.149 ( 0.627 -0.927 0.936) 1.459 16.342 ( -0.850 3.399 -3.425) 4.900 16.342 ( -0.850 3.399 3.425) 4.900 18.708 ( 0.157 0.001 -0.063) 0.169 18.708 ( 0.157 0.001 0.063) 0.169 18.737 ( -0.300 0.451 -0.027) 0.542 18.737 ( -0.300 0.451 0.027) 0.542 19.782 ( 0.240 -0.362 -0.070) 0.440 19.782 ( 0.240 -0.362 0.070) 0.440 20.197 ( -0.230 0.049 -0.433) 0.492 20.197 ( -0.230 0.049 0.433) 0.492 41.533 ( -1.391 0.151 -0.219) 1.416 41.533 ( -1.391 0.151 0.219) 1.416 41.718 ( -1.125 0.607 -0.530) 1.384 41.718 ( -1.125 0.607 0.530) 1.384 41.996 ( 6.428 3.669 -2.213) 7.725 41.996 ( 6.428 3.669 2.213) 7.725 42.272 ( -6.609 3.281 -5.690) 9.318 42.272 ( -6.609 3.281 5.690) 9.318 42.405 ( 5.322 2.262 -3.823) 6.932 42.405 ( 5.322 2.262 3.823) 6.932 42.669 ( -6.093 2.299 -4.215) 7.757 42.669 ( -6.093 2.299 4.215) 7.757 43.064 ( 4.591 1.855 -4.218) 6.504 43.064 ( 4.591 1.855 4.218) 6.504 43.247 ( -3.336 1.855 -4.356) 5.792 43.247 ( -3.336 1.855 4.356) 5.792 49.862 ( 3.240 -3.269 -4.377) 6.351 49.862 ( 3.240 -3.269 4.377) 6.351 50.012 ( -3.003 -3.985 -6.815) 8.446 50.012 ( -3.003 -3.985 6.815) 8.446 50.242 ( 6.373 -4.135 -2.247) 7.922 50.242 ( 6.373 -4.135 2.247) 7.922 50.511 ( -6.190 -3.564 -3.912) 8.143 50.511 ( -6.190 -3.564 3.912) 8.143 66.233 ( 1.805 -9.976 -11.392) 15.250 66.233 ( 1.805 -9.976 11.392) 15.250 66.652 ( -0.416 -6.590 -7.587) 10.058 66.652 ( -0.416 -6.590 7.587) 10.058 88.352 ( -2.182 -2.150 -1.254) 3.310 88.352 ( -2.182 -2.150 1.254) 3.310 88.523 ( -0.195 -0.599 -2.426) 2.506 88.523 ( -0.195 -0.599 2.426) 2.506 88.701 ( -1.491 4.570 -1.920) 5.176 88.701 ( -1.491 4.570 1.920) 5.176 88.963 ( 0.155 -0.681 -1.237) 1.421 88.963 ( 0.155 -0.681 1.237) 1.421 89.108 ( 4.188 -0.653 -2.512) 4.927 89.108 ( 4.188 -0.653 2.512) 4.927 89.467 ( 3.278 1.714 -1.602) 4.031 89.467 ( 3.278 1.714 1.602) 4.031 91.048 ( 1.458 -22.770 -0.592) 22.824 91.048 ( 1.458 -22.770 0.592) 22.824 91.974 ( -3.660 11.598 -7.927) 14.517 91.974 ( -3.660 11.598 7.927) 14.517 ======================= Grid point 293 (92/112) ======================= q-point: (-0.50 0.08 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 104 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.852 ( 0.000 0.017 -9.286) 9.286 1.852 ( 0.000 0.017 9.286) 9.286 2.162 ( 0.000 1.240 -0.273) 1.270 2.162 ( 0.000 1.240 0.273) 1.270 2.572 ( 0.000 1.932 -2.845) 3.439 2.572 ( -0.000 1.932 2.845) 3.439 2.642 ( 0.000 2.297 -2.338) 3.278 2.642 ( 0.000 2.297 2.338) 3.278 3.038 ( 0.000 9.082 -1.158) 9.155 3.038 ( 0.000 9.082 1.158) 9.155 3.268 ( 0.000 -1.758 -0.964) 2.005 3.268 ( 0.000 -1.758 0.964) 2.005 3.651 ( 0.000 12.358 -1.970) 12.514 3.651 ( 0.000 12.358 1.970) 12.514 4.274 ( 0.000 -4.424 -0.628) 4.468 4.274 ( 0.000 -4.424 0.628) 4.468 4.761 ( 0.000 -3.162 -21.129) 21.364 4.761 ( 0.000 -3.162 21.129) 21.364 5.130 ( 0.000 5.762 -12.434) 13.704 5.130 ( 0.000 5.762 12.434) 13.704 6.246 ( 0.000 -8.640 -11.383) 14.291 6.246 ( 0.000 -8.640 11.383) 14.291 6.475 ( 0.000 0.731 -4.393) 4.453 6.475 ( 0.000 0.731 4.393) 4.453 6.909 ( 0.000 11.856 -16.356) 20.201 6.909 ( 0.000 11.856 16.356) 20.201 7.463 ( 0.000 -0.233 -3.697) 3.704 7.463 ( 0.000 -0.233 3.697) 3.704 8.100 ( 0.000 -11.441 -1.011) 11.486 8.100 ( 0.000 -11.441 1.011) 11.486 8.595 ( 0.000 -4.567 -4.788) 6.616 8.595 ( 0.000 -4.567 4.788) 6.616 15.152 ( 0.000 -5.218 -1.490) 5.427 15.152 ( 0.000 -5.218 1.490) 5.427 15.422 ( 0.000 0.283 -1.029) 1.067 15.422 ( 0.000 0.283 1.029) 1.067 15.922 ( 0.000 -2.157 -0.195) 2.166 15.922 ( 0.000 -2.157 0.195) 2.166 16.063 ( 0.000 -0.906 -1.224) 1.523 16.063 ( 0.000 -0.906 1.224) 1.523 16.154 ( 0.000 -1.879 -1.171) 2.214 16.154 ( 0.000 -1.879 1.171) 2.214 16.333 ( 0.000 4.664 -3.024) 5.559 16.333 ( 0.000 4.664 3.024) 5.559 18.710 ( 0.000 -0.070 -0.061) 0.093 18.710 ( 0.000 -0.070 0.061) 0.093 18.734 ( 0.000 0.514 -0.045) 0.516 18.734 ( 0.000 0.514 0.045) 0.516 19.785 ( 0.000 -0.472 -0.076) 0.479 19.785 ( 0.000 -0.472 0.076) 0.479 20.194 ( 0.000 0.072 -0.226) 0.237 20.194 ( 0.000 0.072 0.226) 0.237 41.518 ( 0.000 0.138 -0.143) 0.199 41.518 ( 0.000 0.138 0.143) 0.199 41.707 ( 0.000 0.647 -0.534) 0.839 41.707 ( 0.000 0.647 0.534) 0.839 42.109 ( -0.000 2.888 -2.645) 3.916 42.109 ( -0.000 2.888 2.645) 3.916 42.155 ( 0.000 4.168 -3.226) 5.270 42.155 ( 0.000 4.168 3.226) 5.270 42.490 ( -0.000 2.360 -0.402) 2.394 42.490 ( 0.000 2.360 0.402) 2.394 42.578 ( 0.000 2.191 -0.212) 2.201 42.578 ( 0.000 2.191 0.212) 2.201 43.125 ( 0.000 2.154 -0.252) 2.169 43.125 ( 0.000 2.154 0.252) 2.169 43.198 ( -0.000 1.523 -0.011) 1.523 43.198 ( 0.000 1.523 0.011) 1.523 49.909 ( 0.000 -4.008 -4.192) 5.800 49.909 ( -0.000 -4.008 4.192) 5.800 49.967 ( -0.000 -3.334 -4.116) 5.296 49.967 ( 0.000 -3.334 4.116) 5.296 50.351 ( -0.000 -3.737 -1.272) 3.948 50.351 ( -0.000 -3.737 1.272) 3.948 50.403 ( 0.000 -3.895 -1.249) 4.091 50.403 ( 0.000 -3.895 1.249) 4.091 66.251 ( 0.000 -11.130 -4.318) 11.938 66.251 ( 0.000 -11.130 4.318) 11.938 66.648 ( 0.000 -4.999 -8.956) 10.256 66.648 ( 0.000 -4.999 8.956) 10.256 88.328 ( 0.000 -3.149 -1.806) 3.630 88.328 ( 0.000 -3.149 1.806) 3.630 88.525 ( 0.000 -0.249 -2.261) 2.274 88.525 ( 0.000 -0.249 2.261) 2.274 88.686 ( 0.000 5.833 -1.808) 6.107 88.686 ( 0.000 5.833 1.808) 6.107 88.963 ( 0.000 -1.203 -1.591) 1.995 88.963 ( 0.000 -1.203 1.591) 1.995 89.150 ( 0.000 -0.226 -1.994) 2.006 89.150 ( 0.000 -0.226 1.994) 2.006 89.500 ( 0.000 2.416 -1.523) 2.856 89.500 ( 0.000 2.416 1.523) 2.856 91.063 ( 0.000 -22.778 -0.939) 22.797 91.063 ( 0.000 -22.778 0.939) 22.797 91.936 ( 0.000 10.253 -6.911) 12.365 91.936 ( 0.000 10.253 6.911) 12.365 ======================= Grid point 301 (93/112) ======================= q-point: ( 0.00 0.15 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 104 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.880 ( 0.000 9.506 -20.620) 22.706 1.880 ( 0.000 9.506 20.620) 22.706 1.961 ( 0.000 8.724 -14.643) 17.045 1.961 ( 0.000 8.724 14.643) 17.045 2.626 ( 0.000 2.289 -4.160) 4.748 2.626 ( 0.000 2.289 4.160) 4.748 2.845 ( 0.000 4.415 -3.953) 5.926 2.845 ( 0.000 4.415 3.953) 5.926 3.119 ( 0.000 0.647 -5.757) 5.793 3.119 ( 0.000 0.646 5.757) 5.793 3.354 ( 0.000 6.080 -5.317) 8.077 3.354 ( 0.000 6.080 5.317) 8.077 3.718 ( 0.000 -4.534 -7.679) 8.918 3.718 ( 0.000 -4.534 7.679) 8.918 4.017 ( 0.000 3.035 -7.056) 7.681 4.017 ( 0.000 3.035 7.056) 7.681 4.283 ( 0.000 10.128 -25.520) 27.456 4.283 ( 0.000 10.128 25.520) 27.456 5.772 ( 0.000 2.691 -11.326) 11.641 5.772 ( 0.000 2.691 11.326) 11.641 6.209 ( 0.000 -0.354 -8.810) 8.817 6.209 ( 0.000 -0.354 8.810) 8.817 6.589 ( 0.000 0.364 -7.291) 7.300 6.589 ( 0.000 0.364 7.291) 7.300 7.076 ( 0.000 -3.803 -10.024) 10.721 7.076 ( 0.000 -3.803 10.024) 10.721 7.339 ( 0.000 -2.349 -4.960) 5.488 7.339 ( 0.000 -2.349 4.960) 5.488 8.083 ( 0.000 -1.775 -4.228) 4.586 8.083 ( 0.000 -1.775 4.228) 4.586 8.262 ( 0.000 -13.256 -15.063) 20.066 8.262 ( 0.000 -13.256 15.063) 20.066 15.058 ( 0.000 -3.926 -2.287) 4.544 15.058 ( 0.000 -3.926 2.287) 4.544 15.376 ( 0.000 -4.881 -5.146) 7.093 15.376 ( 0.000 -4.881 5.146) 7.093 15.928 ( 0.000 -2.452 -2.452) 3.467 15.928 ( 0.000 -2.452 2.452) 3.467 16.051 ( 0.000 -0.639 -2.313) 2.400 16.051 ( 0.000 -0.639 2.313) 2.400 16.089 ( 0.000 0.260 -4.497) 4.504 16.089 ( 0.000 0.260 4.497) 4.504 16.387 ( 0.000 1.137 -2.511) 2.756 16.387 ( 0.000 1.137 2.511) 2.756 18.708 ( 0.000 0.231 -0.092) 0.249 18.708 ( 0.000 0.231 0.092) 0.249 18.755 ( 0.000 0.530 -0.125) 0.545 18.755 ( 0.000 0.530 0.125) 0.545 19.775 ( 0.000 0.037 -0.483) 0.485 19.775 ( 0.000 0.037 0.483) 0.485 20.205 ( 0.000 0.102 -1.080) 1.085 20.205 ( 0.000 0.102 1.080) 1.085 41.581 ( 0.000 0.168 -0.187) 0.252 41.581 ( 0.000 0.168 0.187) 0.252 41.773 ( 0.000 0.522 -0.770) 0.930 41.773 ( 0.000 0.522 0.770) 0.930 41.973 ( 0.000 7.305 -0.993) 7.372 41.973 ( 0.000 7.305 0.993) 7.372 42.321 ( 0.000 3.538 -2.996) 4.636 42.321 ( 0.000 3.538 2.996) 4.636 42.535 ( 0.000 5.649 -8.054) 9.838 42.535 ( 0.000 5.649 8.054) 9.838 42.898 ( 0.000 3.445 -4.026) 5.299 42.898 ( 0.000 3.445 4.026) 5.299 42.969 ( 0.000 3.547 -2.016) 4.080 42.969 ( 0.000 3.547 2.016) 4.080 43.380 ( 0.000 3.725 -3.138) 4.870 43.380 ( 0.000 3.725 3.138) 4.870 49.696 ( 0.000 -7.217 -2.639) 7.685 49.696 ( 0.000 -7.217 2.639) 7.685 49.938 ( 0.000 -9.101 -7.406) 11.733 49.938 ( 0.000 -9.101 7.406) 11.733 49.993 ( 0.000 -5.563 -2.735) 6.199 49.993 ( 0.000 -5.563 2.735) 6.199 50.551 ( 0.000 -5.113 -4.308) 6.686 50.551 ( 0.000 -5.113 4.308) 6.686 65.971 ( 0.000 -12.042 -18.286) 21.895 65.971 ( 0.000 -12.042 18.286) 21.895 66.397 ( 0.000 -14.183 -14.973) 20.623 66.397 ( 0.000 -14.183 14.973) 20.623 88.387 ( 0.000 0.435 -0.648) 0.781 88.387 ( 0.000 0.435 0.648) 0.781 88.600 ( 0.000 -0.261 -1.352) 1.377 88.600 ( 0.000 -0.261 1.352) 1.377 88.715 ( 0.000 -6.334 -7.341) 9.696 88.715 ( 0.000 -6.334 7.341) 9.696 88.845 ( 0.000 0.651 -0.518) 0.832 88.845 ( 0.000 0.651 0.518) 0.832 89.063 ( 0.000 2.101 -3.526) 4.104 89.063 ( 0.000 2.101 3.526) 4.104 89.309 ( 0.000 -2.332 -1.030) 2.550 89.309 ( 0.000 -2.332 1.030) 2.550 90.657 ( 0.000 -10.474 -4.424) 11.370 90.657 ( 0.000 -10.474 4.424) 11.370 92.260 ( 0.000 1.049 -14.674) 14.712 92.260 ( 0.000 1.049 14.674) 14.712 ======================= Grid point 303 (94/112) ======================= q-point: ( 0.17 0.15 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.904 ( 0.890 9.423 -2.973) 9.921 1.904 ( 0.890 9.423 2.973) 9.921 2.045 ( 8.695 7.306 -5.581) 12.654 2.045 ( 8.695 7.306 5.581) 12.654 2.587 ( -2.443 2.189 -3.828) 5.042 2.587 ( -2.443 2.189 3.828) 5.042 2.835 ( -2.227 3.444 -2.956) 5.056 2.835 ( -2.227 3.444 2.956) 5.056 3.133 ( 1.265 3.137 -3.109) 4.594 3.133 ( 1.265 3.137 3.109) 4.594 3.327 ( -1.150 5.937 -1.793) 6.307 3.327 ( -1.150 5.937 1.793) 6.307 3.818 ( 7.964 -1.537 -5.006) 9.531 3.818 ( 7.964 -1.537 5.006) 9.531 3.979 ( -1.128 3.287 -4.960) 6.056 3.979 ( -1.128 3.287 4.960) 6.056 4.403 ( 10.173 6.299 -22.251) 25.264 4.403 ( 10.173 6.299 22.251) 25.264 5.662 ( -11.437 1.386 -11.237) 16.094 5.662 ( -11.437 1.386 11.237) 16.094 6.161 ( -2.892 -1.453 -7.844) 8.486 6.161 ( -2.892 -1.453 7.844) 8.486 6.611 ( -0.562 0.958 -7.552) 7.633 6.611 ( -0.562 0.958 7.552) 7.633 7.004 ( -2.128 4.549 -14.601) 15.441 7.004 ( -2.128 4.549 14.601) 15.441 7.495 ( 11.267 -10.023 -3.188) 15.413 7.495 ( 11.267 -10.023 3.188) 15.413 7.904 ( -13.611 -4.398 -6.869) 15.868 7.904 ( -13.611 -4.398 6.869) 15.868 8.361 ( 5.937 -9.384 -9.644) 14.707 8.361 ( 5.937 -9.384 9.644) 14.707 15.050 ( -0.756 -4.674 -2.084) 5.173 15.050 ( -0.756 -4.674 2.084) 5.173 15.383 ( 0.717 -4.046 -4.171) 5.855 15.383 ( 0.717 -4.046 4.171) 5.855 15.929 ( -0.266 -2.340 -1.787) 2.956 15.929 ( -0.266 -2.340 1.787) 2.956 16.005 ( -2.516 -1.267 -0.629) 2.886 16.005 ( -2.516 -1.267 0.629) 2.886 16.125 ( 1.823 -0.119 -1.699) 2.495 16.125 ( 1.823 -0.119 1.699) 2.495 16.398 ( 1.068 2.180 -2.192) 3.271 16.398 ( 1.068 2.180 2.192) 3.271 18.709 ( 0.045 0.212 -0.085) 0.233 18.709 ( 0.045 0.212 0.085) 0.233 18.753 ( -0.208 0.556 -0.084) 0.599 18.753 ( -0.208 0.556 0.084) 0.599 19.774 ( -0.011 -0.101 -0.400) 0.413 19.774 ( -0.011 -0.101 0.400) 0.413 20.203 ( -0.194 0.130 -0.956) 0.984 20.203 ( -0.194 0.130 0.956) 0.984 41.566 ( -1.394 0.241 -0.030) 1.415 41.566 ( -1.394 0.241 0.030) 1.415 41.758 ( -1.320 0.746 -0.833) 1.730 41.758 ( -1.320 0.746 0.833) 1.730 42.009 ( 3.693 7.071 -1.292) 8.081 42.009 ( 3.693 7.071 1.292) 8.081 42.357 ( 3.463 3.618 -3.048) 5.863 42.357 ( 3.463 3.618 3.048) 5.863 42.493 ( -4.033 5.836 -7.012) 9.975 42.493 ( -4.033 5.836 7.012) 9.975 42.838 ( -4.794 3.775 -3.753) 7.164 42.838 ( -4.794 3.775 3.753) 7.164 43.027 ( 4.463 3.234 -2.511) 6.057 43.027 ( 4.463 3.234 2.511) 6.057 43.359 ( -2.181 3.656 -3.309) 5.392 43.359 ( -2.181 3.656 3.309) 5.392 49.711 ( 1.536 -7.456 -2.975) 8.173 49.711 ( 1.536 -7.456 2.975) 8.173 49.924 ( -1.483 -8.873 -6.998) 11.398 49.924 ( -1.483 -8.873 6.998) 11.398 50.033 ( 4.067 -5.564 -2.814) 7.444 50.033 ( 4.067 -5.564 2.814) 7.444 50.515 ( -3.745 -5.139 -4.190) 7.616 50.515 ( -3.745 -5.139 4.190) 7.616 65.975 ( 0.287 -12.783 -13.581) 18.653 65.975 ( 0.287 -12.783 13.581) 18.653 66.418 ( 2.015 -13.314 -10.900) 17.324 66.418 ( 2.015 -13.314 10.900) 17.324 88.380 ( -1.905 -0.008 -0.884) 2.100 88.380 ( -1.905 -0.008 0.884) 2.100 88.530 ( -3.357 -1.545 -1.434) 3.964 88.530 ( -3.357 -1.545 1.434) 3.964 88.742 ( 1.264 -1.750 -2.488) 3.294 88.742 ( 1.264 -1.750 2.488) 3.294 88.896 ( 3.030 -1.903 -0.633) 3.634 88.896 ( 3.030 -1.903 0.633) 3.634 89.072 ( 2.339 2.777 -3.828) 5.276 89.072 ( 2.339 2.777 3.828) 5.276 89.376 ( 5.921 -1.605 -2.155) 6.502 89.376 ( 5.921 -1.605 2.155) 6.502 90.650 ( -0.677 -12.179 -3.176) 12.604 90.650 ( -0.677 -12.179 3.176) 12.604 92.205 ( -5.308 0.789 -13.286) 14.328 92.205 ( -5.308 0.789 13.286) 14.328 ======================= Grid point 305 (95/112) ======================= q-point: ( 0.33 0.15 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.912 ( 0.169 7.754 -10.334) 12.920 1.912 ( 0.169 7.754 10.334) 12.920 2.187 ( 4.408 5.319 -4.474) 8.231 2.187 ( 4.408 5.319 4.474) 8.231 2.587 ( 2.546 3.258 -6.376) 7.599 2.587 ( 2.546 3.258 6.376) 7.599 2.763 ( -4.440 2.835 -4.983) 7.251 2.763 ( -4.440 2.835 4.983) 7.251 3.167 ( 2.573 6.310 -6.084) 9.135 3.167 ( 2.573 6.310 6.084) 9.135 3.323 ( -0.166 5.629 -1.273) 5.773 3.323 ( -0.166 5.629 1.273) 5.773 3.896 ( 1.402 10.728 -1.267) 10.894 3.896 ( 1.402 10.728 1.267) 10.894 4.072 ( 8.503 -5.977 -2.460) 10.681 4.072 ( 8.503 -5.977 2.460) 10.681 4.598 ( 9.356 1.789 -24.509) 26.295 4.598 ( 9.356 1.789 24.509) 26.295 5.397 ( -14.483 0.960 -11.742) 18.669 5.397 ( -14.483 0.960 11.742) 18.669 6.132 ( -0.442 -1.779 -6.660) 6.907 6.132 ( -0.442 -1.779 6.660) 6.907 6.541 ( -4.980 0.713 -8.810) 10.145 6.541 ( -4.980 0.713 8.810) 10.145 7.050 ( 5.373 8.399 -19.540) 21.937 7.050 ( 5.373 8.399 19.540) 21.937 7.581 ( -8.497 -5.579 -2.519) 10.473 7.581 ( -8.497 -5.579 2.519) 10.473 7.742 ( 3.042 -12.613 -7.424) 14.948 7.742 ( 3.042 -12.613 7.424) 14.948 8.444 ( 2.815 -7.694 -7.180) 10.894 8.444 ( 2.815 -7.694 7.180) 10.894 15.035 ( -0.759 -5.976 -2.124) 6.387 15.035 ( -0.759 -5.976 2.124) 6.387 15.399 ( 0.768 -2.573 -2.375) 3.585 15.399 ( 0.768 -2.573 2.375) 3.585 15.908 ( -1.556 -1.457 -0.563) 2.205 15.908 ( -1.556 -1.457 0.563) 2.205 15.984 ( 0.020 -3.400 -1.271) 3.629 15.984 ( 0.020 -3.400 1.271) 3.629 16.145 ( 0.471 -0.472 -0.693) 0.962 16.145 ( 0.471 -0.472 0.693) 0.962 16.421 ( 1.129 4.061 -1.703) 4.546 16.421 ( 1.129 4.061 1.703) 4.546 18.710 ( 0.067 0.160 -0.082) 0.192 18.710 ( 0.067 0.160 0.082) 0.192 18.748 ( -0.219 0.614 -0.017) 0.652 18.748 ( -0.219 0.614 0.017) 0.652 19.774 ( -0.020 -0.370 -0.220) 0.431 19.774 ( -0.020 -0.370 0.220) 0.431 20.199 ( -0.179 0.179 -0.599) 0.650 20.199 ( -0.179 0.179 0.599) 0.650 41.538 ( -1.357 0.360 -0.172) 1.414 41.538 ( -1.357 0.360 0.172) 1.414 41.735 ( -0.999 0.995 -0.888) 1.666 41.735 ( -0.999 0.995 0.888) 1.666 42.103 ( 5.919 6.605 -2.244) 9.149 42.103 ( 5.919 6.605 2.244) 9.149 42.369 ( -5.328 6.066 -4.946) 9.468 42.369 ( -5.328 6.066 4.946) 9.468 42.470 ( 4.838 4.059 -3.774) 7.357 42.470 ( 4.838 4.059 3.774) 7.357 42.734 ( -6.128 3.896 -3.689) 8.145 42.734 ( -6.128 3.896 3.689) 8.145 43.117 ( 4.794 3.203 -3.507) 6.748 43.117 ( 4.794 3.203 3.507) 6.748 43.302 ( -3.658 3.436 -3.565) 6.156 43.302 ( -3.658 3.436 3.565) 6.156 49.749 ( 2.299 -8.088 -3.961) 9.295 49.749 ( 2.299 -8.088 3.961) 9.295 49.887 ( -2.234 -8.302 -5.995) 10.481 49.887 ( -2.234 -8.302 5.995) 10.481 50.137 ( 6.727 -5.486 -3.128) 9.226 50.137 ( 6.727 -5.486 3.128) 9.226 50.417 ( -6.428 -5.224 -3.885) 9.149 50.417 ( -6.428 -5.224 3.885) 9.149 65.979 ( 0.107 -13.973 -6.131) 15.260 65.979 ( 0.107 -13.973 6.131) 15.260 66.459 ( 1.985 -11.800 -8.234) 14.525 66.459 ( 1.985 -11.800 8.234) 14.525 88.312 ( -3.791 -1.661 -3.056) 5.145 88.312 ( -3.791 -1.661 3.056) 5.145 88.518 ( 0.849 0.020 -1.093) 1.384 88.518 ( 0.849 0.020 1.093) 1.384 88.760 ( 0.661 0.599 -1.064) 1.389 88.760 ( 0.661 0.599 1.064) 1.389 88.915 ( -0.253 -2.616 -1.005) 2.814 88.915 ( -0.253 -2.616 1.005) 2.814 89.157 ( 5.142 3.839 -3.810) 7.463 89.157 ( 5.142 3.839 3.810) 7.463 89.483 ( 4.540 -0.363 -3.605) 5.809 89.483 ( 4.540 -0.363 3.605) 5.809 90.637 ( -0.571 -15.807 -0.546) 15.827 90.637 ( -0.571 -15.807 0.546) 15.827 92.095 ( -5.375 0.128 -10.568) 11.858 92.095 ( -5.375 0.128 10.568) 11.858 ======================= Grid point 307 (96/112) ======================= q-point: (-0.50 0.15 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 104 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.914 ( 0.000 6.520 -10.698) 12.529 1.914 ( 0.000 6.520 10.698) 12.529 2.220 ( 0.000 4.738 -1.891) 5.101 2.220 ( 0.000 4.738 1.891) 5.101 2.629 ( 0.000 3.338 -6.565) 7.365 2.629 ( 0.000 3.338 6.565) 7.365 2.709 ( 0.000 4.110 -5.282) 6.693 2.709 ( 0.000 4.110 5.282) 6.693 3.205 ( 0.000 5.327 -2.312) 5.807 3.205 ( 0.000 5.327 2.312) 5.807 3.313 ( 0.000 7.027 -0.975) 7.094 3.313 ( 0.000 7.026 0.975) 7.094 3.914 ( 0.000 11.101 -0.090) 11.101 3.914 ( 0.000 11.101 0.090) 11.101 4.168 ( 0.000 -4.800 -0.928) 4.889 4.168 ( 0.000 -4.800 0.928) 4.889 4.703 ( 0.000 -1.729 -26.870) 26.926 4.703 ( 0.000 -1.729 26.870) 26.926 5.230 ( 0.000 2.737 -9.526) 9.911 5.230 ( -0.000 2.737 9.526) 9.911 6.130 ( 0.000 -1.873 -6.469) 6.734 6.130 ( 0.000 -1.873 6.469) 6.734 6.486 ( 0.000 0.208 -5.221) 5.225 6.486 ( 0.000 0.208 5.221) 5.225 7.126 ( 0.000 7.952 -21.160) 22.605 7.126 ( 0.000 7.952 21.160) 22.605 7.450 ( 0.000 -1.170 -6.293) 6.401 7.450 ( 0.000 -1.170 6.293) 6.401 7.796 ( 0.000 -16.713 -3.858) 17.153 7.796 ( 0.000 -16.713 3.858) 17.153 8.470 ( 0.000 -7.146 -6.349) 9.559 8.470 ( 0.000 -7.146 6.349) 9.559 15.027 ( 0.000 -6.546 -2.277) 6.931 15.027 ( 0.000 -6.546 2.277) 6.931 15.407 ( 0.000 -1.914 -1.538) 2.456 15.407 ( 0.000 -1.914 1.538) 2.456 15.891 ( 0.000 -1.338 -0.165) 1.349 15.891 ( 0.000 -1.338 0.165) 1.349 15.987 ( 0.000 -4.160 -1.189) 4.327 15.987 ( 0.000 -4.160 1.189) 4.327 16.149 ( 0.000 -0.534 -0.123) 0.548 16.149 ( 0.000 -0.534 0.123) 0.548 16.432 ( 0.000 4.895 -1.524) 5.127 16.432 ( 0.000 4.895 1.524) 5.127 18.711 ( 0.000 0.125 -0.085) 0.151 18.711 ( 0.000 0.125 0.085) 0.151 18.746 ( 0.000 0.650 -0.031) 0.651 18.746 ( 0.000 0.650 0.031) 0.651 19.774 ( 0.000 -0.501 -0.081) 0.507 19.774 ( 0.000 -0.501 0.081) 0.507 20.197 ( 0.000 0.200 -0.244) 0.316 20.197 ( 0.000 0.200 0.244) 0.316 41.524 ( 0.000 0.403 -0.175) 0.439 41.524 ( 0.000 0.403 0.175) 0.439 41.725 ( 0.000 1.078 -0.890) 1.398 41.725 ( 0.000 1.078 0.890) 1.398 42.197 ( -0.000 5.636 -3.083) 6.424 42.197 ( -0.000 5.636 3.083) 6.424 42.275 ( 0.000 7.315 -3.612) 8.158 42.275 ( 0.000 7.315 3.612) 8.158 42.557 ( -0.000 4.072 -0.446) 4.096 42.557 ( 0.000 4.072 0.446) 4.096 42.640 ( -0.000 3.719 -0.026) 3.719 42.640 ( 0.000 3.719 0.026) 3.719 43.185 ( 0.000 3.546 -0.663) 3.608 43.185 ( 0.000 3.546 0.663) 3.608 43.244 ( -0.000 3.025 -0.280) 3.038 43.244 ( -0.000 3.025 0.280) 3.038 49.779 ( 0.000 -8.831 -5.006) 10.151 49.779 ( -0.000 -8.831 5.006) 10.151 49.857 ( 0.000 -7.582 -4.879) 9.016 49.857 ( 0.000 -7.582 4.879) 9.016 50.253 ( -0.000 -5.403 -2.687) 6.034 50.253 ( -0.000 -5.403 2.687) 6.034 50.304 ( 0.000 -5.313 -2.650) 5.938 50.304 ( 0.000 -5.313 2.650) 5.938 65.979 ( 0.000 -14.445 -3.036) 14.761 65.979 ( 0.000 -14.445 3.036) 14.761 66.480 ( 0.000 -11.139 -9.486) 14.631 66.480 ( 0.000 -11.139 9.486) 14.631 88.273 ( 0.000 -2.050 -3.360) 3.936 88.273 ( 0.000 -2.050 3.360) 3.936 88.529 ( 0.000 0.435 -0.702) 0.826 88.529 ( 0.000 0.435 0.702) 0.826 88.766 ( 0.000 1.404 -0.643) 1.544 88.766 ( 0.000 1.404 0.643) 1.544 88.910 ( 0.000 -2.736 -0.951) 2.897 88.910 ( 0.000 -2.736 0.951) 2.897 89.213 ( 0.000 4.788 -2.769) 5.531 89.213 ( 0.000 4.788 2.769) 5.531 89.528 ( 0.000 0.108 -3.927) 3.928 89.528 ( 0.000 0.108 3.927) 3.928 90.631 ( 0.000 -17.715 -0.869) 17.736 90.631 ( 0.000 -17.715 0.869) 17.736 92.039 ( 0.000 -0.276 -9.198) 9.202 92.039 ( 0.000 -0.276 9.198) 9.202 ======================= Grid point 315 (97/112) ======================= q-point: ( 0.00 0.23 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 104 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.112 ( 0.000 12.681 -17.161) 21.338 2.112 ( 0.000 12.681 17.161) 21.338 2.168 ( 0.000 11.414 -8.057) 13.971 2.168 ( 0.000 11.414 8.057) 13.971 2.679 ( 0.000 2.860 -2.622) 3.880 2.679 ( 0.000 2.860 2.623) 3.880 2.879 ( 0.000 -0.348 -1.097) 1.151 2.879 ( 0.000 -0.348 1.097) 1.151 3.145 ( 0.000 1.738 -5.268) 5.547 3.145 ( 0.000 1.738 5.268) 5.547 3.542 ( 0.000 10.841 -4.497) 11.737 3.542 ( 0.000 10.841 4.497) 11.737 3.617 ( 0.000 -5.049 -3.106) 5.928 3.617 ( 0.000 -5.049 3.106) 5.928 4.072 ( 0.000 2.435 -4.327) 4.965 4.072 ( 0.000 2.435 4.327) 4.965 4.488 ( 0.000 9.175 -23.633) 25.351 4.488 ( 0.000 9.175 23.633) 25.351 5.804 ( 0.000 -0.587 -2.770) 2.832 5.804 ( 0.000 -0.587 2.770) 2.832 6.203 ( 0.000 0.503 -4.398) 4.427 6.203 ( 0.000 0.503 4.398) 4.427 6.530 ( 0.000 -6.444 -11.132) 12.862 6.530 ( 0.000 -6.444 11.132) 12.862 6.989 ( 0.000 -4.034 -18.112) 18.556 6.989 ( 0.000 -4.034 18.112) 18.556 7.300 ( 0.000 -1.381 -5.536) 5.705 7.300 ( 0.000 -1.381 5.536) 5.705 8.013 ( 0.000 -10.659 -14.301) 17.836 8.013 ( 0.000 -10.659 14.301) 17.836 8.049 ( 0.000 -1.378 -3.330) 3.604 8.049 ( 0.000 -1.378 3.330) 3.604 14.965 ( 0.000 -5.020 -2.730) 5.714 14.965 ( 0.000 -5.020 2.730) 5.714 15.268 ( 0.000 -5.499 -4.192) 6.915 15.268 ( 0.000 -5.499 4.192) 6.915 15.846 ( 0.000 -5.147 -2.620) 5.775 15.846 ( 0.000 -5.147 2.620) 5.775 16.035 ( 0.000 -0.836 -1.274) 1.524 16.035 ( 0.000 -0.836 1.274) 1.524 16.125 ( 0.000 2.846 -5.576) 6.260 16.125 ( 0.000 2.846 5.576) 6.260 16.411 ( 0.000 1.122 -1.707) 2.043 16.411 ( 0.000 1.122 1.707) 2.043 18.714 ( 0.000 0.308 -0.062) 0.314 18.714 ( 0.000 0.308 0.062) 0.314 18.766 ( 0.000 0.575 -0.048) 0.577 18.766 ( 0.000 0.575 0.048) 0.577 19.776 ( 0.000 0.110 -0.872) 0.878 19.776 ( 0.000 0.110 0.872) 0.878 20.209 ( 0.000 0.321 -1.334) 1.372 20.209 ( 0.000 0.321 1.334) 1.372 41.585 ( 0.000 0.208 -0.166) 0.266 41.585 ( 0.000 0.208 0.166) 0.266 41.783 ( 0.000 0.390 -1.009) 1.081 41.783 ( 0.000 0.390 1.009) 1.081 42.142 ( 0.000 8.786 -1.561) 8.924 42.142 ( 0.000 8.786 1.561) 8.924 42.408 ( 0.000 4.937 -3.313) 5.946 42.408 ( 0.000 4.937 3.313) 5.946 42.671 ( 0.000 7.444 -5.679) 9.363 42.671 ( 0.000 7.444 5.679) 9.363 42.976 ( 0.000 4.052 -2.970) 5.024 42.976 ( 0.000 4.052 2.970) 5.024 43.050 ( 0.000 4.195 -1.809) 4.568 43.050 ( 0.000 4.195 1.809) 4.568 43.467 ( 0.000 4.653 -3.491) 5.817 43.467 ( 0.000 4.653 3.491) 5.817 49.487 ( 0.000 -12.780 -2.278) 12.982 49.487 ( 0.000 -12.780 2.278) 12.982 49.713 ( 0.000 -12.634 -6.093) 14.027 49.713 ( 0.000 -12.634 6.093) 14.027 49.902 ( 0.000 -3.311 -4.107) 5.276 49.902 ( 0.000 -3.311 4.107) 5.276 50.444 ( 0.000 -5.165 -3.732) 6.372 50.444 ( 0.000 -5.165 3.732) 6.372 65.696 ( 0.000 -14.326 -13.768) 19.869 65.696 ( 0.000 -14.326 13.768) 19.869 66.125 ( 0.000 -11.973 -14.078) 18.481 66.125 ( 0.000 -11.973 14.078) 18.481 88.400 ( 0.000 0.775 -0.626) 0.996 88.400 ( 0.000 0.775 0.626) 0.996 88.579 ( 0.000 -6.282 -6.282) 8.884 88.579 ( 0.000 -6.282 6.282) 8.884 88.593 ( 0.000 -0.476 -1.293) 1.377 88.593 ( 0.000 -0.476 1.293) 1.377 88.858 ( 0.000 0.584 -0.523) 0.783 88.858 ( 0.000 0.584 0.523) 0.783 89.071 ( 0.000 -1.805 -4.347) 4.707 89.071 ( 0.000 -1.805 4.347) 4.707 89.251 ( 0.000 -3.231 -0.950) 3.368 89.251 ( 0.000 -3.231 0.950) 3.368 90.573 ( 0.000 1.457 -1.512) 2.099 90.573 ( 0.000 1.457 1.512) 2.099 92.162 ( 0.000 -9.526 -14.282) 17.168 92.162 ( 0.000 -9.526 14.282) 17.168 ======================= Grid point 317 (98/112) ======================= q-point: ( 0.17 0.23 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.140 ( 0.353 13.146 -2.305) 13.352 2.140 ( 0.353 13.146 2.305) 13.352 2.231 ( 7.218 10.732 -9.168) 15.853 2.231 ( 7.218 10.732 9.168) 15.853 2.625 ( -2.581 1.578 -2.731) 4.076 2.625 ( -2.581 1.578 2.731) 4.076 2.892 ( -1.001 2.480 -4.229) 5.004 2.892 ( -1.001 2.480 4.229) 5.004 3.186 ( 4.130 2.219 -4.259) 6.334 3.186 ( 4.130 2.219 4.259) 6.334 3.479 ( -2.540 6.188 -3.177) 7.405 3.479 ( -2.540 6.188 3.177) 7.405 3.742 ( 9.140 -2.447 -2.938) 9.907 3.742 ( 9.140 -2.447 2.938) 9.907 4.069 ( 0.084 3.611 -3.049) 4.726 4.069 ( 0.084 3.611 3.049) 4.726 4.547 ( 5.601 7.253 -22.909) 24.674 4.547 ( 5.601 7.253 22.910) 24.674 5.667 ( -13.232 -1.403 -2.324) 13.508 5.667 ( -13.232 -1.403 2.324) 13.508 6.160 ( -1.896 1.429 -2.250) 3.271 6.160 ( -1.896 1.429 2.250) 3.271 6.595 ( 1.902 -3.218 -10.202) 10.865 6.595 ( 1.902 -3.218 10.202) 10.865 6.990 ( 2.124 -6.107 -17.790) 18.928 6.990 ( 2.124 -6.107 17.790) 18.928 7.345 ( 3.855 -2.882 -6.648) 8.208 7.345 ( 3.855 -2.882 6.648) 8.208 7.807 ( -12.320 -5.001 -7.560) 15.296 7.807 ( -12.320 -5.001 7.560) 15.296 8.200 ( 6.967 -6.131 -5.915) 11.005 8.200 ( 6.967 -6.131 5.915) 11.005 14.947 ( -1.675 -5.211 -2.862) 6.177 14.947 ( -1.675 -5.211 2.862) 6.177 15.287 ( 1.807 -5.242 -3.648) 6.637 15.287 ( 1.807 -5.242 3.648) 6.637 15.845 ( -0.101 -5.010 -2.227) 5.483 15.845 ( -0.101 -5.010 2.227) 5.483 16.009 ( -2.195 0.796 -0.364) 2.362 16.009 ( -2.195 0.796 0.364) 2.362 16.124 ( -0.246 0.301 -3.133) 3.157 16.124 ( -0.246 0.301 3.133) 3.157 16.442 ( 2.823 1.935 -1.095) 3.594 16.442 ( 2.823 1.935 1.095) 3.594 18.714 ( 0.024 0.309 -0.052) 0.314 18.714 ( 0.024 0.309 0.052) 0.314 18.765 ( -0.164 0.592 -0.027) 0.615 18.765 ( -0.164 0.592 0.027) 0.615 19.774 ( -0.205 0.061 -0.752) 0.781 19.774 ( -0.205 0.061 0.752) 0.781 20.207 ( -0.159 0.330 -1.160) 1.217 20.207 ( -0.159 0.330 1.160) 1.217 41.572 ( -1.210 0.320 -0.077) 1.254 41.572 ( -1.210 0.320 0.077) 1.254 41.773 ( -0.931 0.620 -1.034) 1.523 41.773 ( -0.931 0.620 1.034) 1.523 42.173 ( 3.282 8.619 -1.754) 9.388 42.173 ( 3.282 8.619 1.754) 9.388 42.445 ( 3.723 4.949 -3.183) 6.964 42.445 ( 3.723 4.949 3.183) 6.964 42.632 ( -3.831 7.569 -5.052) 9.874 42.632 ( -3.831 7.569 5.052) 9.874 42.923 ( -4.469 4.405 -2.736) 6.845 42.923 ( -4.469 4.405 2.736) 6.845 43.102 ( 4.187 3.868 -2.087) 6.071 43.102 ( 4.187 3.868 2.087) 6.071 43.444 ( -2.343 4.573 -3.488) 6.210 43.444 ( -2.343 4.573 3.488) 6.210 49.500 ( 1.373 -12.717 -2.648) 13.062 49.500 ( 1.373 -12.717 2.648) 13.062 49.702 ( -1.125 -12.532 -5.811) 13.859 49.702 ( -1.125 -12.532 5.811) 13.859 49.939 ( 3.774 -3.560 -4.017) 6.561 49.939 ( 3.774 -3.560 4.017) 6.561 50.408 ( -3.707 -5.102 -3.695) 7.309 50.408 ( -3.707 -5.102 3.695) 7.309 65.694 ( -0.245 -14.228 -10.072) 17.434 65.694 ( -0.245 -14.228 10.072) 17.434 66.150 ( 2.393 -12.335 -10.909) 16.639 66.150 ( 2.393 -12.335 10.909) 16.639 88.377 ( -4.153 -0.455 -2.349) 4.793 88.377 ( -4.153 -0.455 2.349) 4.793 88.496 ( -0.670 -1.425 -0.824) 1.777 88.496 ( -0.670 -1.425 0.824) 1.777 88.687 ( 3.666 -2.873 -1.459) 4.880 88.687 ( 3.666 -2.873 1.459) 4.880 88.881 ( 1.498 0.059 -0.561) 1.600 88.881 ( 1.498 0.059 0.561) 1.600 89.086 ( 2.849 -1.965 -3.792) 5.134 89.086 ( 2.849 -1.965 3.792) 5.134 89.324 ( 6.523 -3.425 -2.369) 7.738 89.324 ( 6.523 -3.425 2.369) 7.738 90.536 ( -3.676 0.578 -2.049) 4.248 90.536 ( -3.676 0.578 2.049) 4.248 92.109 ( -5.160 -9.190 -13.419) 17.063 92.109 ( -5.160 -9.190 13.419) 17.063 ======================= Grid point 319 (99/112) ======================= q-point: ( 0.33 0.23 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.127 ( -1.377 12.535 -5.195) 13.638 2.127 ( -1.377 12.535 5.195) 13.638 2.337 ( 2.815 9.200 -5.503) 11.084 2.337 ( 2.815 9.200 5.503) 11.084 2.652 ( 4.461 3.007 -3.344) 6.334 2.652 ( 4.461 3.007 3.344) 6.334 2.841 ( -3.188 4.816 -0.965) 5.856 2.841 ( -3.188 4.816 0.965) 5.856 3.263 ( 3.255 3.944 -4.240) 6.643 3.263 ( 3.255 3.944 4.240) 6.643 3.463 ( 0.208 5.524 -2.923) 6.254 3.463 ( 0.208 5.524 2.923) 6.254 3.909 ( 6.945 -4.746 -2.743) 8.848 3.909 ( 6.945 -4.746 2.743) 8.848 4.098 ( 3.628 4.087 -3.055) 6.261 4.098 ( 3.628 4.087 3.055) 6.261 4.666 ( 6.155 4.985 -22.808) 24.144 4.666 ( 6.155 4.985 22.808) 24.144 5.386 ( -14.485 -1.946 -4.404) 15.264 5.386 ( -14.485 -1.946 4.404) 15.264 6.150 ( 0.351 2.491 -0.426) 2.551 6.150 ( 0.351 2.491 0.426) 2.551 6.547 ( -4.937 -0.022 -7.933) 9.343 6.547 ( -4.937 -0.022 7.933) 9.343 7.077 ( 5.238 -8.307 -20.534) 22.761 7.077 ( 5.238 -8.307 20.534) 22.761 7.416 ( 3.165 -4.437 -6.919) 8.808 7.416 ( 3.165 -4.437 6.919) 8.808 7.599 ( -8.847 -3.674 -6.812) 11.754 7.599 ( -8.847 -3.674 6.812) 11.754 8.296 ( 3.323 -6.354 -5.754) 9.194 8.296 ( 3.323 -6.354 5.754) 9.194 14.915 ( -1.447 -5.465 -2.983) 6.392 14.915 ( -1.447 -5.465 2.983) 6.392 15.323 ( 1.636 -4.856 -2.812) 5.845 15.323 ( 1.636 -4.856 2.812) 5.845 15.839 ( -0.523 -4.442 -1.200) 4.631 15.839 ( -0.523 -4.442 1.200) 4.631 15.974 ( -1.209 1.815 -0.905) 2.361 15.974 ( -1.209 1.815 0.905) 2.361 16.116 ( -0.452 -2.208 -1.157) 2.533 16.116 ( -0.452 -2.208 1.157) 2.533 16.495 ( 2.399 2.930 -0.722) 3.855 16.495 ( 2.399 2.930 0.722) 3.855 18.715 ( 0.035 0.307 -0.032) 0.310 18.715 ( 0.035 0.307 0.032) 0.310 18.761 ( -0.169 0.626 -0.006) 0.648 18.761 ( -0.169 0.626 0.006) 0.648 19.770 ( -0.211 -0.037 -0.431) 0.481 19.770 ( -0.211 -0.037 0.431) 0.481 20.204 ( -0.150 0.345 -0.677) 0.774 20.204 ( -0.150 0.345 0.677) 0.774 41.547 ( -1.201 0.536 -0.113) 1.320 41.547 ( -1.201 0.536 0.113) 1.320 41.755 ( -0.767 0.953 -1.047) 1.610 41.755 ( -0.767 0.953 1.047) 1.610 42.257 ( 5.263 8.230 -2.366) 10.051 42.257 ( 5.263 8.230 2.366) 10.051 42.510 ( -1.517 7.319 -3.775) 8.374 42.510 ( -1.517 7.319 3.775) 8.374 42.568 ( 1.897 5.640 -3.428) 6.868 42.568 ( 1.897 5.640 3.428) 6.868 42.822 ( -6.132 4.579 -2.734) 8.126 42.822 ( -6.132 4.579 2.734) 8.126 43.189 ( 4.884 3.745 -2.858) 6.786 43.189 ( 4.884 3.745 2.858) 6.786 43.383 ( -3.942 4.380 -3.390) 6.798 43.383 ( -3.942 4.380 3.390) 6.798 49.532 ( 1.819 -12.686 -3.605) 13.313 49.532 ( 1.819 -12.686 3.605) 13.313 49.675 ( -1.580 -12.238 -5.020) 13.322 49.675 ( -1.580 -12.238 5.020) 13.322 50.037 ( 6.404 -4.115 -3.816) 8.515 50.037 ( 6.404 -4.115 3.816) 8.515 50.312 ( -6.330 -4.910 -3.634) 8.797 50.312 ( -6.330 -4.910 3.634) 8.797 65.688 ( -0.261 -14.052 -4.149) 14.654 65.688 ( -0.261 -14.052 4.149) 14.654 66.199 ( 2.299 -12.960 -7.325) 15.063 66.199 ( 2.299 -12.960 7.325) 15.063 88.283 ( -4.198 -1.159 -3.409) 5.530 88.283 ( -4.198 -1.159 3.409) 5.530 88.523 ( 1.787 0.409 -1.340) 2.271 88.523 ( 1.787 0.409 1.340) 2.271 88.733 ( 1.520 -2.468 -0.812) 3.011 88.733 ( 1.520 -2.468 0.812) 3.011 88.890 ( -0.302 -0.183 -1.141) 1.194 88.890 ( -0.302 -0.183 1.141) 1.194 89.183 ( 6.115 -2.222 -2.908) 7.127 89.183 ( 6.115 -2.222 2.908) 7.127 89.449 ( 5.614 -3.196 -4.684) 7.979 89.449 ( 5.614 -3.196 4.684) 7.979 90.453 ( -4.334 -1.653 -3.755) 5.968 90.453 ( -4.334 -1.653 3.755) 5.968 92.000 ( -5.361 -8.571 -11.659) 15.432 92.000 ( -5.361 -8.571 11.659) 15.432 ======================= Grid point 321 (100/112) ======================= q-point: (-0.50 0.23 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 104 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.109 ( 0.000 11.824 -5.164) 12.902 2.109 ( 0.000 11.824 5.164) 12.902 2.360 ( 0.000 8.778 -1.392) 8.888 2.360 ( 0.000 8.778 1.392) 8.888 2.704 ( 0.000 3.997 -4.388) 5.936 2.704 ( 0.000 3.997 4.388) 5.936 2.808 ( 0.000 5.718 -3.703) 6.813 2.808 ( 0.000 5.718 3.703) 6.813 3.295 ( 0.000 4.352 -0.591) 4.392 3.295 ( 0.000 4.352 0.591) 4.392 3.467 ( 0.000 5.735 -3.633) 6.789 3.467 ( 0.000 5.735 3.633) 6.789 3.967 ( 0.000 -3.914 -0.861) 4.008 3.967 ( 0.000 -3.914 0.861) 4.008 4.160 ( 0.000 1.784 -3.053) 3.536 4.160 ( 0.000 1.784 3.053) 3.536 4.737 ( 0.000 5.426 -17.966) 18.768 4.737 ( 0.000 5.426 17.966) 18.768 5.222 ( 0.000 -3.114 -2.092) 3.751 5.222 ( -0.000 -3.114 2.092) 3.751 6.157 ( -0.000 2.805 -0.747) 2.902 6.157 ( 0.000 2.805 0.747) 2.902 6.488 ( 0.000 0.720 -3.761) 3.830 6.488 ( 0.000 0.720 3.761) 3.830 7.133 ( 0.000 -9.375 -21.634) 23.578 7.133 ( 0.000 -9.375 21.634) 23.578 7.450 ( -0.000 2.379 -4.904) 5.450 7.450 ( 0.000 2.379 4.904) 5.450 7.508 ( 0.000 -9.715 -7.765) 12.437 7.508 ( -0.000 -9.715 7.765) 12.437 8.327 ( 0.000 -6.349 -5.635) 8.488 8.327 ( 0.000 -6.349 5.635) 8.489 14.900 ( 0.000 -5.553 -2.984) 6.304 14.900 ( 0.000 -5.553 2.984) 6.304 15.340 ( 0.000 -4.701 -2.455) 5.303 15.340 ( 0.000 -4.701 2.455) 5.303 15.833 ( 0.000 -3.975 -0.645) 4.027 15.833 ( 0.000 -3.975 0.645) 4.027 15.964 ( 0.000 1.878 -0.863) 2.067 15.964 ( 0.000 1.878 0.863) 2.067 16.111 ( 0.000 -3.045 -0.771) 3.141 16.111 ( 0.000 -3.045 0.771) 3.141 16.519 ( 0.000 3.275 -0.737) 3.357 16.519 ( 0.000 3.275 0.737) 3.357 18.715 ( 0.000 0.303 -0.004) 0.303 18.715 ( 0.000 0.303 0.004) 0.303 18.759 ( 0.000 0.643 -0.014) 0.643 18.759 ( 0.000 0.643 0.014) 0.643 19.767 ( 0.000 -0.086 -0.032) 0.092 19.767 ( 0.000 -0.086 0.032) 0.092 20.203 ( 0.000 0.351 -0.079) 0.359 20.203 ( 0.000 0.351 0.079) 0.359 41.535 ( 0.000 0.636 -0.146) 0.652 41.535 ( 0.000 0.636 0.146) 0.652 41.748 ( 0.000 1.077 -1.041) 1.497 41.748 ( 0.000 1.077 1.041) 1.497 42.334 ( -0.000 7.553 -3.189) 8.199 42.334 ( -0.000 7.553 3.189) 8.199 42.444 ( 0.000 8.987 -2.848) 9.427 42.444 ( 0.000 8.987 2.848) 9.427 42.650 ( -0.000 4.834 -0.443) 4.854 42.650 ( 0.000 4.834 0.443) 4.854 42.725 ( -0.000 4.472 -0.628) 4.516 42.725 ( 0.000 4.472 0.628) 4.516 43.261 ( 0.000 3.679 -0.935) 3.796 43.261 ( 0.000 3.679 0.935) 3.796 43.320 ( -0.000 4.345 -0.533) 4.377 43.320 ( -0.000 4.345 0.533) 4.377 49.554 ( 0.000 -12.802 -4.391) 13.534 49.554 ( -0.000 -12.802 4.391) 13.534 49.656 ( 0.000 -11.964 -4.276) 12.705 49.656 ( 0.000 -11.964 4.276) 12.705 50.147 ( -0.000 -4.687 -3.355) 5.764 50.147 ( -0.000 -4.687 3.355) 5.764 50.202 ( 0.000 -4.514 -3.294) 5.588 50.202 ( 0.000 -4.514 3.294) 5.588 65.686 ( 0.000 -13.973 -1.408) 14.044 65.686 ( 0.000 -13.973 1.408) 14.044 66.222 ( 0.000 -13.229 -6.983) 14.959 66.222 ( 0.000 -13.229 6.983) 14.959 88.242 ( 0.000 -1.054 -3.368) 3.529 88.242 ( 0.000 -1.054 3.368) 3.529 88.541 ( 0.000 0.716 -0.007) 0.716 88.541 ( 0.000 0.716 0.007) 0.716 88.747 ( 0.000 -2.445 -0.625) 2.523 88.747 ( 0.000 -2.445 0.625) 2.523 88.885 ( 0.000 -0.132 -1.046) 1.054 88.885 ( 0.000 -0.132 1.046) 1.054 89.252 ( 0.000 -2.239 -0.420) 2.278 89.252 ( 0.000 -2.239 0.420) 2.278 89.505 ( 0.000 -2.608 -5.846) 6.402 89.505 ( 0.000 -2.608 5.846) 6.402 90.406 ( 0.000 -3.156 -4.955) 5.875 90.406 ( 0.000 -3.156 4.955) 5.875 91.944 ( 0.000 -8.285 -10.743) 13.566 91.944 ( 0.000 -8.285 10.743) 13.566 ======================= Grid point 329 (101/112) ======================= q-point: ( 0.00 0.31 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 104 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.370 ( 0.000 11.620 -12.035) 16.729 2.370 ( 0.000 11.620 12.035) 16.729 2.419 ( 0.000 12.875 -3.932) 13.462 2.419 ( 0.000 12.875 3.932) 13.462 2.739 ( 0.000 2.868 -2.437) 3.763 2.739 ( 0.000 2.868 2.437) 3.764 2.868 ( 0.000 0.317 -4.970) 4.980 2.868 ( 0.000 0.317 4.970) 4.980 3.184 ( 0.000 2.048 -5.761) 6.115 3.184 ( 0.000 2.048 5.762) 6.115 3.521 ( 0.000 -4.281 -3.563) 5.570 3.521 ( 0.000 -4.281 3.564) 5.570 3.725 ( 0.000 5.469 -5.151) 7.513 3.725 ( 0.000 5.469 5.151) 7.513 4.140 ( 0.000 5.075 -4.424) 6.732 4.140 ( 0.000 5.075 4.424) 6.732 4.625 ( 0.000 3.469 -18.594) 18.914 4.625 ( 0.000 3.469 18.594) 18.914 5.722 ( 0.000 -7.166 -5.098) 8.794 5.722 ( 0.000 -7.166 5.098) 8.794 6.257 ( 0.000 4.708 -3.740) 6.013 6.257 ( 0.000 4.708 3.740) 6.013 6.348 ( 0.000 -10.091 -7.658) 12.667 6.348 ( 0.000 -10.091 7.658) 12.667 6.941 ( 0.000 -0.291 -11.853) 11.857 6.941 ( 0.000 -0.291 11.853) 11.857 7.277 ( 0.000 -1.171 -5.926) 6.041 7.277 ( 0.000 -1.171 5.926) 6.041 7.821 ( 0.000 -8.606 -10.261) 13.393 7.821 ( 0.000 -8.606 10.261) 13.393 8.033 ( 0.000 -0.176 -2.893) 2.898 8.033 ( 0.000 -0.176 2.893) 2.898 14.861 ( 0.000 -4.906 -4.575) 6.708 14.861 ( 0.000 -4.906 4.575) 6.708 15.160 ( 0.000 -4.927 -3.188) 5.869 15.160 ( 0.000 -4.927 3.188) 5.869 15.736 ( 0.000 -5.280 -3.194) 6.171 15.736 ( 0.000 -5.280 3.194) 6.171 16.018 ( 0.000 -0.830 -1.496) 1.710 16.018 ( 0.000 -0.830 1.496) 1.710 16.191 ( 0.000 3.343 -5.141) 6.132 16.191 ( 0.000 3.343 5.141) 6.132 16.431 ( 0.000 0.832 -4.160) 4.243 16.431 ( 0.000 0.832 4.160) 4.243 18.720 ( 0.000 0.297 -0.085) 0.309 18.720 ( 0.000 0.297 0.085) 0.309 18.778 ( 0.000 0.554 -0.074) 0.559 18.778 ( 0.000 0.554 0.074) 0.559 19.779 ( 0.000 0.167 -1.321) 1.331 19.779 ( 0.000 0.167 1.321) 1.331 20.217 ( 0.000 0.449 -1.478) 1.545 20.217 ( 0.000 0.449 1.478) 1.545 41.589 ( 0.000 0.249 -0.117) 0.275 41.589 ( 0.000 0.249 0.117) 0.275 41.789 ( 0.000 0.149 -0.938) 0.949 41.789 ( 0.000 0.149 0.938) 0.949 42.310 ( 0.000 7.138 -2.183) 7.464 42.310 ( 0.000 7.138 2.183) 7.464 42.525 ( 0.000 6.587 -2.238) 6.957 42.525 ( 0.000 6.587 2.238) 6.957 42.828 ( 0.000 7.694 -3.213) 8.338 42.828 ( 0.000 7.694 3.213) 8.338 43.057 ( 0.000 3.743 -1.506) 4.035 43.057 ( 0.000 3.743 1.506) 4.035 43.134 ( 0.000 3.859 -1.791) 4.255 43.134 ( 0.000 3.859 1.791) 4.255 43.563 ( 0.000 4.567 -5.646) 7.262 43.563 ( 0.000 4.567 5.646) 7.262 49.206 ( 0.000 -13.934 -3.044) 14.262 49.206 ( 0.000 -13.934 3.044) 14.262 49.442 ( 0.000 -13.322 -4.831) 14.171 49.442 ( 0.000 -13.322 4.831) 14.171 49.849 ( 0.000 -2.039 -4.383) 4.834 49.849 ( 0.000 -2.039 4.383) 4.834 50.347 ( 0.000 -4.235 -2.876) 5.119 50.347 ( 0.000 -4.235 2.876) 5.119 65.408 ( 0.000 -13.329 -9.123) 16.152 65.408 ( 0.000 -13.329 9.123) 16.152 65.916 ( 0.000 -8.476 -10.543) 13.528 65.916 ( 0.000 -8.476 10.543) 13.528 88.417 ( 0.000 0.900 -0.485) 1.022 88.417 ( 0.000 0.900 0.485) 1.022 88.476 ( 0.000 -3.627 -4.750) 5.976 88.476 ( 0.000 -3.627 4.750) 5.976 88.582 ( 0.000 -0.573 -1.158) 1.292 88.582 ( 0.000 -0.573 1.158) 1.292 88.868 ( 0.000 0.349 -0.541) 0.644 88.868 ( 0.000 0.349 0.541) 0.644 88.993 ( 0.000 -5.388 -3.147) 6.240 88.993 ( 0.000 -5.388 3.147) 6.240 89.182 ( 0.000 -3.362 -0.667) 3.427 89.182 ( 0.000 -3.362 0.667) 3.427 90.673 ( 0.000 7.278 -7.353) 10.346 90.673 ( 0.000 7.278 7.353) 10.346 91.920 ( 0.000 -13.066 -13.110) 18.510 91.920 ( 0.000 -13.066 13.110) 18.510 ======================= Grid point 331 (102/112) ======================= q-point: ( 0.17 0.31 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.420 ( 0.215 13.717 -1.790) 13.835 2.420 ( 0.215 13.717 1.790) 13.835 2.468 ( 7.777 11.660 -10.945) 17.782 2.468 ( 7.777 11.660 10.945) 17.782 2.652 ( -3.848 1.469 -2.856) 5.012 2.652 ( -3.848 1.469 2.856) 5.012 2.947 ( 3.350 2.864 -4.007) 5.956 2.947 ( 3.350 2.864 4.007) 5.956 3.221 ( 4.358 1.188 -4.232) 6.190 3.221 ( 4.358 1.187 4.232) 6.190 3.493 ( -1.785 -3.110 -3.799) 5.224 3.493 ( -1.785 -3.110 3.799) 5.224 3.777 ( 4.693 3.238 -5.735) 8.087 3.777 ( 4.693 3.238 5.735) 8.087 4.140 ( -0.028 4.437 -4.378) 6.233 4.140 ( -0.028 4.437 4.378) 6.233 4.659 ( 3.487 2.729 -18.573) 19.093 4.659 ( 3.487 2.729 18.573) 19.093 5.589 ( -12.386 -6.376 -4.497) 14.639 5.589 ( -12.386 -6.376 4.497) 14.639 6.214 ( -1.626 3.477 -2.457) 4.558 6.214 ( -1.626 3.477 2.457) 4.558 6.469 ( 7.682 -7.821 -7.619) 13.350 6.469 ( 7.682 -7.821 7.619) 13.350 6.882 ( -4.340 -2.245 -10.019) 11.147 6.882 ( -4.340 -2.245 10.019) 11.147 7.320 ( 3.192 -1.322 -6.852) 7.674 7.320 ( 3.192 -1.323 6.852) 7.674 7.705 ( -8.893 -4.868 -6.569) 12.081 7.705 ( -8.893 -4.868 6.569) 12.081 8.111 ( 5.397 -2.771 -2.544) 6.579 8.111 ( 5.397 -2.771 2.544) 6.579 14.847 ( -1.321 -4.351 -4.344) 6.289 14.847 ( -1.321 -4.351 4.344) 6.289 15.175 ( 1.485 -5.514 -3.297) 6.594 15.175 ( 1.485 -5.514 3.297) 6.594 15.744 ( 0.743 -4.688 -2.747) 5.484 15.744 ( 0.743 -4.688 2.747) 5.484 16.011 ( -0.548 -0.735 -1.293) 1.585 16.011 ( -0.548 -0.735 1.293) 1.585 16.154 ( -3.262 2.742 -3.591) 5.572 16.154 ( -3.262 2.742 3.591) 5.572 16.470 ( 3.375 0.745 -3.257) 4.749 16.470 ( 3.375 0.745 3.257) 4.749 18.721 ( 0.043 0.314 -0.094) 0.331 18.721 ( 0.043 0.314 0.094) 0.331 18.776 ( -0.145 0.556 -0.072) 0.579 18.776 ( -0.145 0.556 0.072) 0.579 19.777 ( -0.191 0.226 -1.144) 1.181 19.777 ( -0.191 0.226 1.144) 1.181 20.215 ( -0.159 0.443 -1.281) 1.365 20.215 ( -0.159 0.443 1.281) 1.365 41.579 ( -0.986 0.357 -0.074) 1.052 41.579 ( -0.986 0.357 0.074) 1.052 41.783 ( -0.567 0.317 -0.944) 1.146 41.783 ( -0.567 0.317 0.944) 1.146 42.342 ( 3.265 7.319 -2.122) 8.290 42.342 ( 3.265 7.319 2.122) 8.290 42.560 ( 3.520 6.280 -2.208) 7.530 42.560 ( 3.520 6.280 2.208) 7.530 42.791 ( -3.668 7.759 -2.924) 9.067 42.791 ( -3.668 7.759 2.924) 9.067 43.011 ( -4.106 4.075 -1.397) 5.951 43.011 ( -4.106 4.075 1.397) 5.951 43.179 ( 3.895 3.587 -2.083) 5.690 43.179 ( 3.895 3.587 2.083) 5.690 43.539 ( -2.507 4.487 -5.376) 7.438 43.539 ( -2.507 4.487 5.376) 7.438 49.221 ( 1.574 -13.807 -3.249) 14.271 49.221 ( 1.574 -13.807 3.249) 14.271 49.431 ( -1.054 -13.347 -4.719) 14.196 49.431 ( -1.054 -13.347 4.719) 14.196 49.881 ( 3.298 -2.237 -4.203) 5.792 49.881 ( 3.298 -2.237 4.203) 5.792 50.313 ( -3.519 -4.136 -2.903) 6.158 50.313 ( -3.519 -4.136 2.903) 6.158 65.411 ( 0.241 -13.030 -7.322) 14.949 65.411 ( 0.241 -13.030 7.322) 14.949 65.929 ( 1.291 -9.109 -8.855) 12.769 65.929 ( 1.291 -9.109 8.855) 12.769 88.361 ( -5.494 -0.824 -2.735) 6.192 88.361 ( -5.494 -0.824 2.735) 6.192 88.482 ( 2.501 -0.034 -1.839) 3.105 88.482 ( 2.501 -0.034 1.839) 3.105 88.639 ( 3.408 -1.781 -0.487) 3.876 88.639 ( 3.408 -1.781 0.487) 3.876 88.885 ( 1.023 0.029 -0.917) 1.375 88.885 ( 1.023 0.029 0.917) 1.375 89.000 ( 1.984 -5.826 -1.919) 6.447 89.000 ( 1.984 -5.826 1.919) 6.447 89.244 ( 5.673 -4.079 -1.621) 7.173 89.244 ( 5.673 -4.079 1.621) 7.173 90.632 ( -4.072 7.675 -7.829) 11.695 90.632 ( -4.072 7.675 7.829) 11.695 91.874 ( -4.440 -12.765 -12.892) 18.679 91.874 ( -4.440 -12.765 12.892) 18.679 ======================= Grid point 333 (103/112) ======================= q-point: ( 0.33 0.31 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.392 ( -2.678 12.644 -0.429) 12.931 2.392 ( -2.678 12.644 0.429) 12.931 2.547 ( 1.374 10.766 -6.050) 12.426 2.547 ( 1.373 10.766 6.050) 12.426 2.714 ( 7.291 3.530 -2.353) 8.435 2.714 ( 7.291 3.530 2.353) 8.435 2.957 ( -1.144 6.194 -3.122) 7.030 2.957 ( -1.144 6.194 3.123) 7.030 3.323 ( 4.742 0.831 -2.903) 5.622 3.323 ( 4.742 0.831 2.903) 5.622 3.481 ( 0.532 -2.831 -4.706) 5.518 3.481 ( 0.532 -2.831 4.706) 5.518 3.877 ( 5.191 1.330 -5.014) 7.339 3.877 ( 5.191 1.330 5.014) 7.339 4.142 ( 0.488 1.681 -5.987) 6.238 4.142 ( 0.488 1.681 5.987) 6.238 4.749 ( 5.949 1.586 -17.657) 18.700 4.749 ( 5.949 1.586 17.657) 18.700 5.322 ( -14.545 -4.653 -6.546) 16.615 5.322 ( -14.545 -4.653 6.546) 16.615 6.193 ( -0.922 1.907 -1.201) 2.435 6.193 ( -0.922 1.907 1.201) 2.435 6.556 ( 1.369 0.539 -3.832) 4.105 6.556 ( 1.369 0.539 3.832) 4.105 6.847 ( 1.026 -9.408 -9.524) 13.426 6.847 ( 1.026 -9.408 9.524) 13.426 7.347 ( -1.033 -5.601 -6.114) 8.356 7.347 ( -1.033 -5.601 6.114) 8.356 7.569 ( -4.171 1.035 -3.782) 5.724 7.569 ( -4.171 1.035 3.782) 5.724 8.192 ( 3.030 -3.820 -3.446) 5.971 8.192 ( 3.030 -3.820 3.446) 5.971 14.822 ( -1.150 -3.454 -3.898) 5.334 14.822 ( -1.150 -3.454 3.898) 5.334 15.205 ( 1.352 -6.492 -3.447) 7.474 15.205 ( 1.352 -6.492 3.447) 7.474 15.758 ( 0.620 -3.257 -1.540) 3.655 15.758 ( 0.620 -3.257 1.540) 3.655 16.007 ( 0.333 -0.737 -0.880) 1.195 16.007 ( 0.333 -0.737 0.880) 1.195 16.090 ( -3.255 1.701 -1.632) 4.019 16.090 ( -3.255 1.701 1.632) 4.019 16.531 ( 2.569 0.373 -2.660) 3.717 16.531 ( 2.569 0.373 2.660) 3.717 18.722 ( 0.052 0.349 -0.112) 0.371 18.722 ( 0.052 0.349 0.112) 0.371 18.773 ( -0.153 0.557 -0.054) 0.580 18.773 ( -0.153 0.557 0.054) 0.580 19.773 ( -0.196 0.345 -0.660) 0.770 19.773 ( -0.196 0.345 0.660) 0.770 20.212 ( -0.153 0.428 -0.745) 0.873 20.212 ( -0.153 0.428 0.745) 0.873 41.559 ( -0.985 0.573 -0.075) 1.142 41.559 ( -0.985 0.573 0.075) 1.142 41.772 ( -0.503 0.595 -0.942) 1.223 41.772 ( -0.503 0.595 0.942) 1.223 42.424 ( 5.120 7.715 -2.315) 9.545 42.424 ( 5.120 7.715 2.315) 9.545 42.647 ( 4.927 6.037 -2.404) 8.155 42.647 ( 4.927 6.037 2.404) 8.155 42.706 ( -4.398 7.509 -2.298) 9.000 42.706 ( -4.398 7.509 2.298) 9.000 42.915 ( -5.989 4.366 -1.410) 7.544 42.915 ( -5.989 4.366 1.410) 7.544 43.264 ( 4.793 3.414 -2.798) 6.516 43.264 ( 4.793 3.414 2.798) 6.516 43.474 ( -4.092 4.338 -4.542) 7.496 43.474 ( -4.092 4.338 4.542) 7.496 49.258 ( 1.992 -13.497 -3.742) 14.147 49.258 ( 1.992 -13.497 3.742) 14.147 49.406 ( -1.473 -13.447 -4.371) 14.216 49.406 ( -1.473 -13.447 4.371) 14.216 49.968 ( 5.730 -2.730 -3.764) 7.379 49.968 ( 5.730 -2.730 3.764) 7.379 50.221 ( -5.950 -3.849 -3.022) 7.704 50.221 ( -5.950 -3.849 3.022) 7.704 65.415 ( 0.171 -12.445 -3.604) 12.957 65.415 ( 0.171 -12.445 3.604) 12.957 65.956 ( 1.322 -10.329 -5.683) 11.863 65.956 ( 1.322 -10.329 5.683) 11.863 88.268 ( -3.757 -0.210 -2.432) 4.480 88.268 ( -3.757 -0.210 2.432) 4.480 88.534 ( 2.370 0.673 -1.681) 2.982 88.534 ( 2.370 0.673 1.681) 2.982 88.682 ( 1.249 -2.299 -0.489) 2.662 88.682 ( 1.249 -2.299 0.489) 2.662 88.887 ( -0.433 -0.582 -1.691) 1.840 88.887 ( -0.433 -0.582 1.691) 1.840 89.081 ( 5.341 -6.680 -1.332) 8.656 89.081 ( 5.341 -6.680 1.332) 8.656 89.357 ( 5.336 -5.236 -3.128) 8.104 89.357 ( 5.336 -5.236 3.128) 8.104 90.540 ( -4.884 8.652 -9.159) 13.513 90.540 ( -4.884 8.652 9.159) 13.513 91.780 ( -4.649 -12.146 -12.443) 17.999 91.780 ( -4.649 -12.146 12.443) 17.999 ======================= Grid point 335 (104/112) ======================= q-point: (-0.50 0.31 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 104 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.360 ( 0.000 11.975 -0.204) 11.977 2.360 ( 0.000 11.975 0.204) 11.977 2.564 ( 0.000 10.789 -0.294) 10.793 2.564 ( 0.000 10.789 0.294) 10.793 2.789 ( 0.000 4.364 -1.860) 4.744 2.789 ( 0.000 4.364 1.861) 4.744 2.943 ( 0.000 7.167 -3.492) 7.972 2.943 ( -0.000 7.167 3.492) 7.973 3.366 ( 0.000 0.947 -2.155) 2.354 3.366 ( 0.000 0.947 2.155) 2.354 3.494 ( 0.000 -2.305 -6.028) 6.453 3.494 ( 0.000 -2.305 6.028) 6.453 3.931 ( 0.000 1.695 -1.079) 2.009 3.931 ( 0.000 1.695 1.079) 2.009 4.154 ( 0.000 -1.376 -8.693) 8.801 4.154 ( 0.000 -1.377 8.693) 8.801 4.839 ( 0.000 1.526 -5.328) 5.542 4.839 ( 0.000 1.526 5.328) 5.542 5.140 ( -0.000 -4.165 -7.099) 8.231 5.140 ( -0.000 -4.165 7.099) 8.231 6.182 ( -0.000 0.454 -2.142) 2.190 6.182 ( 0.000 0.454 2.142) 2.190 6.561 ( 0.000 6.140 -1.131) 6.244 6.561 ( 0.000 6.140 1.131) 6.244 6.870 ( 0.000 -12.860 -9.193) 15.808 6.870 ( -0.000 -12.860 9.193) 15.808 7.321 ( 0.000 -9.175 -0.955) 9.225 7.321 ( 0.000 -9.175 0.955) 9.225 7.540 ( 0.000 4.418 -3.553) 5.670 7.540 ( 0.000 4.418 3.553) 5.670 8.221 ( 0.000 -4.016 -3.712) 5.469 8.221 ( 0.000 -4.016 3.712) 5.469 14.810 ( 0.000 -3.074 -3.671) 4.788 14.810 ( 0.000 -3.074 3.671) 4.788 15.219 ( 0.000 -6.924 -3.497) 7.756 15.219 ( 0.000 -6.924 3.497) 7.756 15.764 ( 0.000 -2.395 -0.590) 2.467 15.764 ( 0.000 -2.395 0.590) 2.467 16.021 ( 0.000 -1.571 -2.053) 2.585 16.021 ( 0.000 -1.571 2.053) 2.585 16.047 ( 0.000 1.900 -0.833) 2.075 16.047 ( -0.000 1.900 0.833) 2.075 16.556 ( 0.000 0.167 -2.536) 2.541 16.556 ( 0.000 0.167 2.536) 2.541 18.722 ( 0.000 0.368 -0.120) 0.387 18.722 ( 0.000 0.368 0.120) 0.387 18.772 ( 0.000 0.556 -0.018) 0.557 18.772 ( 0.000 0.556 0.018) 0.557 19.771 ( 0.000 0.405 -0.024) 0.406 19.771 ( 0.000 0.405 0.024) 0.406 20.211 ( 0.000 0.419 -0.108) 0.433 20.211 ( 0.000 0.419 0.108) 0.433 41.548 ( 0.000 0.681 -0.097) 0.688 41.548 ( 0.000 0.681 0.097) 0.688 41.766 ( 0.000 0.711 -0.936) 1.176 41.766 ( 0.000 0.711 0.936) 1.176 42.496 ( -0.000 7.951 -3.144) 8.550 42.496 ( -0.000 7.951 3.144) 8.550 42.626 ( 0.000 8.237 -1.142) 8.316 42.626 ( 0.000 8.237 1.142) 8.316 42.750 ( -0.000 4.946 -1.344) 5.125 42.750 ( 0.000 4.946 1.344) 5.125 42.818 ( -0.000 4.561 -1.026) 4.675 42.818 ( 0.000 4.561 1.026) 4.675 43.331 ( 0.000 3.137 -0.663) 3.206 43.331 ( 0.000 3.137 0.663) 3.206 43.413 ( -0.000 4.497 -0.334) 4.510 43.413 ( -0.000 4.497 0.334) 4.510 49.281 ( 0.000 -13.263 -4.081) 13.876 49.281 ( -0.000 -13.263 4.081) 13.876 49.388 ( 0.000 -13.571 -3.981) 14.143 49.388 ( 0.000 -13.571 3.981) 14.143 50.067 ( -0.000 -3.167 -2.980) 4.349 50.067 ( -0.000 -3.167 2.980) 4.349 50.120 ( 0.000 -3.520 -2.926) 4.577 50.120 ( 0.000 -3.520 2.926) 4.577 65.417 ( 0.000 -12.162 -0.466) 12.170 65.417 ( 0.000 -12.162 0.466) 12.170 65.970 ( 0.000 -10.912 -4.159) 11.678 65.970 ( 0.000 -10.912 4.159) 11.678 88.231 ( 0.000 0.102 -2.242) 2.245 88.231 ( 0.000 0.102 2.242) 2.245 88.557 ( 0.000 0.885 -0.278) 0.927 88.557 ( 0.000 0.885 0.278) 0.927 88.693 ( 0.000 -2.685 -0.658) 2.764 88.693 ( 0.000 -2.685 0.658) 2.764 88.881 ( 0.000 -0.635 -1.744) 1.856 88.881 ( 0.000 -0.635 1.744) 1.856 89.141 ( 0.000 -7.282 -1.064) 7.360 89.141 ( 0.000 -7.282 1.064) 7.360 89.413 ( 0.000 -5.794 -3.872) 6.969 89.413 ( 0.000 -5.794 3.872) 6.969 90.487 ( 0.000 9.297 -10.134) 13.752 90.487 ( 0.000 9.297 10.134) 13.752 91.731 ( 0.000 -11.821 -12.204) 16.990 91.731 ( 0.000 -11.821 12.204) 16.990 ======================= Grid point 343 (105/112) ======================= q-point: ( 0.00 0.38 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 104 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.533 ( 0.000 3.602 -4.377) 5.668 2.533 ( 0.000 3.602 4.377) 5.668 2.667 ( 0.000 9.359 -6.506) 11.398 2.667 ( 0.000 9.359 6.506) 11.398 2.806 ( 0.000 5.272 -4.219) 6.753 2.806 ( 0.000 5.272 4.219) 6.753 2.940 ( 0.000 7.163 -11.992) 13.969 2.940 ( 0.000 7.163 11.992) 13.969 3.231 ( 0.000 2.511 -8.095) 8.476 3.231 ( 0.000 2.510 8.096) 8.476 3.434 ( 0.000 -4.535 -3.515) 5.738 3.434 ( 0.000 -4.535 3.516) 5.738 3.743 ( 0.000 -2.898 -7.176) 7.739 3.743 ( 0.000 -2.898 7.176) 7.739 4.283 ( 0.000 7.919 -5.590) 9.694 4.283 ( 0.000 7.919 5.590) 9.694 4.619 ( 0.000 -3.560 -18.207) 18.552 4.619 ( 0.000 -3.560 18.207) 18.552 5.548 ( 0.000 -8.776 -9.472) 12.912 5.548 ( 0.000 -8.776 9.472) 12.912 6.172 ( 0.000 -6.366 -4.990) 8.089 6.172 ( 0.000 -6.366 4.990) 8.089 6.371 ( 0.000 5.655 -2.868) 6.340 6.371 ( 0.000 5.655 2.868) 6.340 6.978 ( 0.000 3.752 -8.705) 9.480 6.978 ( 0.000 3.752 8.706) 9.480 7.247 ( 0.000 -1.715 -5.752) 6.002 7.247 ( 0.000 -1.715 5.752) 6.002 7.648 ( 0.000 -8.311 -4.816) 9.606 7.648 ( 0.000 -8.311 4.816) 9.606 8.040 ( 0.000 0.687 -2.800) 2.883 8.040 ( 0.000 0.687 2.800) 2.883 14.773 ( 0.000 -3.548 -6.425) 7.340 14.773 ( 0.000 -3.548 6.425) 7.340 15.073 ( 0.000 -3.387 -2.396) 4.149 15.073 ( 0.000 -3.387 2.396) 4.149 15.641 ( 0.000 -3.821 -3.315) 5.059 15.641 ( 0.000 -3.821 3.315) 5.059 16.003 ( 0.000 -0.606 -2.679) 2.747 16.003 ( 0.000 -0.606 2.679) 2.747 16.253 ( 0.000 2.543 -3.611) 4.417 16.253 ( 0.000 2.543 3.611) 4.417 16.444 ( 0.000 0.466 -6.458) 6.475 16.444 ( 0.000 0.466 6.458) 6.475 18.725 ( 0.000 0.206 -0.119) 0.238 18.725 ( 0.000 0.206 0.119) 0.238 18.788 ( 0.000 0.426 -0.194) 0.468 18.788 ( 0.000 0.426 0.194) 0.468 19.782 ( 0.000 0.155 -1.723) 1.730 19.782 ( 0.000 0.155 1.723) 1.730 20.226 ( 0.000 0.391 -1.533) 1.582 20.226 ( 0.000 0.391 1.533) 1.582 41.594 ( 0.000 0.223 -0.044) 0.227 41.594 ( 0.000 0.223 0.044) 0.227 41.790 ( 0.000 -0.030 -0.674) 0.674 41.790 ( 0.000 -0.030 0.674) 0.674 42.421 ( 0.000 3.826 -4.130) 5.630 42.421 ( 0.000 3.826 4.130) 5.630 42.666 ( 0.000 6.507 -2.314) 6.906 42.666 ( 0.000 6.507 2.314) 6.906 42.973 ( 0.000 6.101 -1.176) 6.214 42.973 ( 0.000 6.101 1.176) 6.214 43.122 ( 0.000 2.440 -1.461) 2.844 43.122 ( 0.000 2.440 1.461) 2.844 43.202 ( 0.000 2.667 -1.960) 3.310 43.202 ( 0.000 2.667 1.960) 3.310 43.646 ( 0.000 3.376 -7.747) 8.450 43.646 ( 0.000 3.376 7.747) 8.450 48.947 ( 0.000 -10.686 -4.085) 11.440 48.947 ( 0.000 -10.686 4.085) 11.440 49.195 ( 0.000 -10.239 -3.803) 10.922 49.195 ( 0.000 -10.239 3.803) 10.922 49.816 ( 0.000 -1.231 -4.286) 4.459 49.816 ( 0.000 -1.231 4.286) 4.459 50.275 ( 0.000 -2.775 -1.954) 3.394 50.275 ( 0.000 -2.775 1.954) 3.394 65.172 ( 0.000 -9.373 -5.363) 10.799 65.172 ( 0.000 -9.373 5.363) 10.799 65.778 ( 0.000 -5.004 -7.031) 8.630 65.778 ( 0.000 -5.004 7.031) 8.630 88.432 ( 0.000 -0.772 -3.461) 3.546 88.432 ( 0.000 -0.772 3.461) 3.546 88.435 ( 0.000 0.734 -0.303) 0.795 88.435 ( 0.000 0.734 0.303) 0.795 88.571 ( 0.000 -0.488 -0.933) 1.053 88.571 ( 0.000 -0.488 0.933) 1.053 88.871 ( 0.000 -5.993 -1.642) 6.214 88.871 ( 0.000 -5.993 1.642) 6.214 88.872 ( 0.000 0.029 -0.727) 0.727 88.872 ( 0.000 0.029 0.727) 0.727 89.121 ( 0.000 -2.433 -0.327) 2.455 89.121 ( 0.000 -2.433 0.327) 2.455 90.833 ( 0.000 7.659 -12.361) 14.542 90.833 ( 0.000 7.659 12.361) 14.542 91.665 ( 0.000 -11.135 -11.468) 15.984 91.665 ( 0.000 -11.135 11.468) 15.984 ======================= Grid point 345 (106/112) ======================= q-point: ( 0.17 0.38 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.596 ( 4.242 1.371 -3.321) 5.559 2.596 ( 4.242 1.371 3.321) 5.559 2.699 ( 3.949 11.206 -5.061) 12.915 2.699 ( 3.949 11.206 5.061) 12.915 2.757 ( -2.660 9.169 -3.314) 10.107 2.757 ( -2.660 9.169 3.315) 10.106 3.006 ( 4.825 3.316 -6.301) 8.601 3.006 ( 4.825 3.316 6.301) 8.601 3.246 ( 1.079 1.603 -6.161) 6.457 3.246 ( 1.079 1.603 6.162) 6.458 3.421 ( -0.330 -3.798 -3.010) 4.858 3.421 ( -0.330 -3.799 3.010) 4.858 3.784 ( 4.099 -2.407 -6.354) 7.936 3.784 ( 4.099 -2.407 6.354) 7.936 4.266 ( -1.891 7.114 -5.189) 9.006 4.266 ( -1.891 7.114 5.189) 9.006 4.646 ( 2.789 -3.432 -18.250) 18.778 4.646 ( 2.789 -3.432 18.250) 18.779 5.420 ( -11.655 -9.240 -8.969) 17.368 5.420 ( -11.655 -9.240 8.969) 17.368 6.251 ( 5.398 -1.911 -4.289) 7.154 6.251 ( 5.398 -1.911 4.290) 7.154 6.387 ( 2.751 2.338 -4.532) 5.794 6.387 ( 2.750 2.338 4.532) 5.794 6.895 ( -6.726 2.825 -7.430) 10.413 6.895 ( -6.726 2.825 7.430) 10.413 7.263 ( -0.595 -4.317 -7.549) 8.717 7.263 ( -0.595 -4.317 7.549) 8.717 7.614 ( -2.101 -3.841 -3.088) 5.358 7.614 ( -2.101 -3.841 3.088) 5.358 8.077 ( 3.223 -0.736 -2.070) 3.900 8.077 ( 3.223 -0.736 2.070) 3.900 14.775 ( 0.159 -2.649 -5.923) 6.490 14.775 ( 0.159 -2.649 5.923) 6.490 15.072 ( -0.123 -4.371 -2.831) 5.209 15.072 ( -0.123 -4.371 2.831) 5.209 15.662 ( 2.083 -3.222 -2.887) 4.801 15.662 ( 2.083 -3.222 2.887) 4.801 15.988 ( -1.495 -1.231 -2.107) 2.862 15.988 ( -1.495 -1.231 2.107) 2.862 16.225 ( -2.472 3.809 -2.516) 5.191 16.225 ( -2.472 3.809 2.516) 5.191 16.470 ( 2.188 -0.775 -5.158) 5.657 16.470 ( 2.188 -0.775 5.158) 5.657 18.726 ( 0.082 0.225 -0.130) 0.273 18.726 ( 0.082 0.225 0.130) 0.273 18.787 ( -0.154 0.419 -0.175) 0.479 18.787 ( -0.154 0.419 0.175) 0.479 19.782 ( -0.016 0.257 -1.491) 1.513 19.782 ( -0.016 0.257 1.491) 1.513 20.224 ( -0.180 0.379 -1.330) 1.394 20.224 ( -0.180 0.379 1.330) 1.394 41.586 ( -0.805 0.295 -0.027) 0.857 41.586 ( -0.805 0.295 0.027) 0.857 41.786 ( -0.324 0.063 -0.663) 0.740 41.786 ( -0.324 0.063 0.663) 0.740 42.459 ( 3.832 4.090 -3.611) 6.667 42.459 ( 3.832 4.090 3.611) 6.667 42.692 ( 2.778 6.183 -2.160) 7.114 42.692 ( 2.778 6.183 2.160) 7.114 42.936 ( -3.653 6.023 -1.156) 7.138 42.936 ( -3.653 6.023 1.156) 7.138 43.083 ( -3.678 2.785 -1.132) 4.750 43.083 ( -3.678 2.785 1.132) 4.750 43.242 ( 3.652 2.477 -2.342) 4.996 43.242 ( 3.652 2.477 2.342) 4.996 43.620 ( -2.654 3.310 -7.294) 8.438 43.620 ( -2.654 3.310 7.294) 8.438 48.966 ( 1.867 -10.547 -4.124) 11.477 48.966 ( 1.867 -10.547 4.124) 11.477 49.183 ( -1.200 -10.327 -3.863) 11.091 49.183 ( -1.200 -10.327 3.863) 11.091 49.845 ( 2.976 -1.344 -4.034) 5.190 49.845 ( 2.976 -1.344 4.034) 5.190 50.243 ( -3.324 -2.699 -2.026) 4.737 50.243 ( -3.324 -2.699 2.026) 4.737 65.179 ( 0.708 -9.216 -4.550) 10.303 65.179 ( 0.708 -9.216 4.550) 10.303 65.781 ( 0.259 -5.390 -6.094) 8.140 65.781 ( 0.259 -5.390 6.094) 8.140 88.355 ( -4.665 0.335 -1.860) 5.034 88.355 ( -4.665 0.335 1.860) 5.034 88.490 ( 3.272 0.727 -1.771) 3.791 88.490 ( 3.272 0.727 1.771) 3.791 88.611 ( 2.841 -0.964 -0.408) 3.028 88.611 ( 2.841 -0.964 0.408) 3.028 88.837 ( -1.201 -5.963 -1.298) 6.220 88.837 ( -1.201 -5.964 1.298) 6.220 88.913 ( 2.512 -0.897 -0.469) 2.708 88.913 ( 2.512 -0.897 0.469) 2.708 89.170 ( 4.483 -3.023 -0.825) 5.469 89.170 ( 4.483 -3.023 0.825) 5.469 90.808 ( -2.490 8.730 -12.395) 15.364 90.808 ( -2.490 8.730 12.395) 15.364 91.621 ( -4.337 -11.403 -11.911) 17.051 91.621 ( -4.337 -11.404 11.911) 17.051 ======================= Grid point 347 (107/112) ======================= q-point: ( 0.33 0.38 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.602 ( -2.210 6.838 -3.322) 7.916 2.602 ( -2.210 6.838 3.322) 7.917 2.754 ( 2.171 9.545 -4.967) 10.977 2.754 ( 2.171 9.545 4.967) 10.976 2.823 ( 6.454 6.967 -3.706) 10.195 2.823 ( 6.454 6.968 3.706) 10.195 3.065 ( 0.898 3.405 -1.710) 3.914 3.065 ( 0.898 3.405 1.710) 3.915 3.264 ( 1.037 -4.473 -2.652) 5.303 3.264 ( 1.037 -4.473 2.653) 5.303 3.450 ( 2.932 -0.229 -4.175) 5.106 3.450 ( 2.932 -0.229 4.175) 5.106 3.893 ( 7.244 -0.581 -4.883) 8.755 3.893 ( 7.244 -0.581 4.883) 8.755 4.208 ( -4.333 4.533 -5.515) 8.351 4.208 ( -4.333 4.533 5.515) 8.351 4.717 ( 4.561 -3.796 -19.003) 19.908 4.717 ( 4.561 -3.796 19.003) 19.908 5.178 ( -12.540 -8.893 -10.090) 18.389 5.178 ( -12.540 -8.893 10.090) 18.389 6.282 ( -1.064 7.164 -2.943) 7.818 6.282 ( -1.064 7.164 2.943) 7.818 6.505 ( 7.916 -4.773 -3.269) 9.805 6.505 ( 7.916 -4.773 3.269) 9.805 6.785 ( -4.328 1.742 -6.762) 8.216 6.785 ( -4.328 1.742 6.762) 8.216 7.189 ( -6.011 -8.821 -6.280) 12.385 7.189 ( -6.011 -8.821 6.280) 12.385 7.606 ( 0.849 1.870 -2.197) 3.007 7.606 ( 0.849 1.870 2.197) 3.007 8.134 ( 2.352 -2.052 -1.794) 3.600 8.134 ( 2.352 -2.052 1.794) 3.600 14.778 ( 0.142 -0.816 -4.811) 4.881 14.778 ( 0.142 -0.816 4.811) 4.881 15.070 ( -0.066 -6.345 -3.713) 7.351 15.070 ( -0.066 -6.345 3.713) 7.351 15.709 ( 2.613 -1.534 -1.614) 3.434 15.709 ( 2.613 -1.534 1.614) 3.434 15.952 ( -2.037 -3.168 -0.444) 3.793 15.952 ( -2.037 -3.168 0.444) 3.793 16.179 ( -1.961 5.732 -2.204) 6.447 16.179 ( -1.961 5.732 2.204) 6.447 16.509 ( 1.648 -2.476 -3.896) 4.901 16.509 ( 1.648 -2.476 3.896) 4.901 18.728 ( 0.094 0.266 -0.151) 0.320 18.728 ( 0.094 0.266 0.151) 0.320 18.783 ( -0.165 0.401 -0.113) 0.448 18.783 ( -0.165 0.401 0.113) 0.448 19.782 ( -0.018 0.464 -0.861) 0.978 19.782 ( -0.018 0.464 0.861) 0.978 20.220 ( -0.177 0.352 -0.780) 0.874 20.220 ( -0.177 0.352 0.780) 0.874 41.569 ( -0.801 0.442 -0.037) 0.916 41.569 ( -0.801 0.442 0.037) 0.916 41.780 ( -0.305 0.228 -0.637) 0.742 41.780 ( -0.305 0.228 0.637) 0.742 42.556 ( 6.061 4.890 -2.487) 8.175 42.556 ( 6.061 4.890 2.487) 8.175 42.764 ( 4.433 5.262 -1.670) 7.081 42.764 ( 4.433 5.262 1.670) 7.081 42.848 ( -5.202 5.788 -1.011) 7.847 42.848 ( -5.202 5.788 1.011) 7.847 42.994 ( -5.490 3.310 -0.541) 6.433 42.994 ( -5.490 3.310 0.541) 6.433 43.323 ( 4.627 2.333 -3.093) 6.034 43.323 ( 4.627 2.333 3.093) 6.034 43.553 ( -4.164 3.198 -5.859) 7.867 43.553 ( -4.164 3.198 5.859) 7.867 49.010 ( 2.519 -10.112 -4.136) 11.212 49.010 ( 2.519 -10.112 4.136) 11.212 49.153 ( -1.847 -10.656 -3.958) 11.516 49.153 ( -1.847 -10.656 3.958) 11.516 49.924 ( 5.248 -1.627 -3.413) 6.468 49.924 ( 5.248 -1.627 3.413) 6.468 50.156 ( -5.604 -2.491 -2.270) 6.539 50.156 ( -5.604 -2.491 2.270) 6.539 65.194 ( 0.663 -8.866 -2.513) 9.239 65.194 ( 0.663 -8.866 2.513) 9.239 65.786 ( 0.294 -6.190 -3.794) 7.266 65.786 ( 0.294 -6.190 3.794) 7.266 88.279 ( -3.054 1.241 -1.273) 3.533 88.279 ( -3.054 1.241 1.273) 3.533 88.548 ( 2.571 0.722 -1.825) 3.234 88.548 ( 2.571 0.722 1.825) 3.234 88.642 ( 0.368 -1.475 -1.252) 1.969 88.642 ( 0.368 -1.475 1.252) 1.969 88.831 ( 0.241 -5.651 -0.686) 5.698 88.831 ( 0.241 -5.651 0.686) 5.698 88.973 ( 3.576 -2.547 -1.399) 4.607 88.973 ( 3.576 -2.547 1.399) 4.607 89.259 ( 4.180 -3.998 -1.526) 5.982 89.259 ( 4.180 -3.998 1.526) 5.982 90.752 ( -2.926 11.161 -12.584) 17.073 90.752 ( -2.926 11.161 12.584) 17.073 91.529 ( -4.544 -12.029 -12.903) 18.216 91.529 ( -4.544 -12.029 12.903) 18.216 ======================= Grid point 349 (108/112) ======================= q-point: (-0.50 0.38 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 104 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.575 ( 0.000 8.827 -2.710) 9.234 2.575 ( 0.000 8.827 2.710) 9.234 2.782 ( 0.000 10.101 -2.132) 10.324 2.782 ( 0.000 10.101 2.132) 10.324 2.887 ( 0.000 5.147 -1.092) 5.262 2.887 ( 0.000 5.147 1.092) 5.262 3.065 ( 0.000 2.964 -6.007) 6.699 3.065 ( -0.000 2.964 6.008) 6.699 3.276 ( 0.000 -6.115 -1.006) 6.197 3.276 ( 0.000 -6.116 1.007) 6.198 3.487 ( -0.000 0.745 -1.052) 1.289 3.487 ( 0.000 0.745 1.052) 1.289 4.001 ( 0.000 3.790 -0.370) 3.808 4.001 ( 0.000 3.790 0.370) 3.808 4.135 ( 0.000 -0.315 -7.972) 7.978 4.135 ( -0.000 -0.315 7.972) 7.978 4.783 ( 0.000 -5.112 -18.858) 19.539 4.783 ( 0.000 -5.113 18.858) 19.539 5.028 ( -0.000 -7.281 -10.458) 12.743 5.028 ( -0.000 -7.281 10.458) 12.743 6.265 ( 0.000 8.555 -2.572) 8.933 6.265 ( 0.000 8.555 2.572) 8.933 6.599 ( 0.000 -6.566 -1.400) 6.714 6.599 ( 0.000 -6.566 1.400) 6.714 6.741 ( 0.000 3.275 -7.035) 7.760 6.741 ( 0.000 3.275 7.036) 7.760 7.115 ( 0.000 -10.604 -0.234) 10.607 7.115 ( 0.000 -10.604 0.234) 10.607 7.618 ( 0.000 3.109 -2.191) 3.804 7.618 ( 0.000 3.109 2.191) 3.804 8.157 ( 0.000 -2.405 -1.860) 3.041 8.157 ( 0.000 -2.405 1.860) 3.041 14.779 ( 0.000 0.113 -4.179) 4.181 14.779 ( 0.000 0.113 4.179) 4.181 15.069 ( 0.000 -7.334 -4.158) 8.431 15.069 ( 0.000 -7.334 4.158) 8.431 15.739 ( 0.000 -0.016 -0.358) 0.358 15.739 ( 0.000 -0.016 0.358) 0.358 15.928 ( 0.000 -4.913 -0.981) 5.010 15.928 ( -0.000 -4.913 0.981) 5.010 16.160 ( 0.000 6.614 -2.522) 7.079 16.160 ( 0.000 6.614 2.522) 7.079 16.525 ( 0.000 -3.155 -3.508) 4.718 16.525 ( 0.000 -3.155 3.508) 4.718 18.729 ( 0.000 0.288 -0.160) 0.330 18.729 ( 0.000 0.288 0.160) 0.330 18.782 ( 0.000 0.390 -0.025) 0.391 18.782 ( 0.000 0.390 0.025) 0.391 19.782 ( 0.000 0.569 -0.050) 0.571 19.782 ( 0.000 0.569 0.050) 0.571 20.219 ( 0.000 0.338 -0.176) 0.381 20.219 ( 0.000 0.338 0.176) 0.381 41.561 ( 0.000 0.517 -0.048) 0.519 41.561 ( 0.000 0.517 0.048) 0.519 41.777 ( 0.000 0.301 -0.622) 0.691 41.777 ( 0.000 0.301 0.622) 0.691 42.643 ( -0.000 6.104 -2.587) 6.630 42.643 ( -0.000 6.104 2.587) 6.630 42.759 ( 0.000 4.528 -0.696) 4.581 42.759 ( 0.000 4.528 0.696) 4.581 42.851 ( -0.000 4.734 -2.467) 5.338 42.851 ( 0.000 4.734 2.467) 5.338 42.907 ( 0.000 3.951 -0.972) 4.069 42.907 ( 0.000 3.951 0.972) 4.069 43.386 ( 0.000 2.121 -0.291) 2.140 43.386 ( 0.000 2.121 0.291) 2.140 43.495 ( -0.000 3.306 -0.096) 3.308 43.495 ( -0.000 3.306 0.096) 3.308 49.041 ( 0.000 -9.561 -3.915) 10.332 49.041 ( -0.000 -9.561 3.915) 10.332 49.129 ( 0.000 -11.153 -3.835) 11.794 49.129 ( 0.000 -11.153 3.835) 11.794 50.017 ( -0.000 -1.701 -2.165) 2.754 50.017 ( -0.000 -1.701 2.165) 2.754 50.059 ( 0.000 -2.457 -2.136) 3.255 50.059 ( 0.000 -2.457 2.136) 3.255 65.200 ( 0.000 -8.673 -0.057) 8.673 65.200 ( 0.000 -8.673 0.057) 8.673 65.790 ( 0.000 -6.601 -2.002) 6.898 65.790 ( 0.000 -6.601 2.002) 6.898 88.249 ( 0.000 1.581 -1.039) 1.891 88.249 ( 0.000 1.581 1.039) 1.891 88.575 ( -0.000 0.764 -0.635) 0.993 88.575 ( 0.000 0.764 0.635) 0.993 88.641 ( 0.000 -2.215 -2.306) 3.197 88.641 ( 0.000 -2.215 2.306) 3.197 88.834 ( 0.000 -4.532 -0.270) 4.540 88.834 ( 0.000 -4.532 0.270) 4.540 89.014 ( 0.000 -3.881 -1.999) 4.366 89.014 ( 0.000 -3.881 1.999) 4.366 89.302 ( 0.000 -4.527 -1.882) 4.903 89.302 ( 0.000 -4.527 1.882) 4.903 90.720 ( 0.000 12.559 -12.775) 17.915 90.720 ( 0.000 12.559 12.775) 17.915 91.481 ( 0.000 -12.383 -13.448) 18.281 91.481 ( 0.000 -12.383 13.448) 18.281 ======================= Grid point 357 (109/112) ======================= q-point: ( 0.00 0.46 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 104 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.555 ( 0.000 -0.138 -4.576) 4.578 2.555 ( 0.000 -0.138 4.576) 4.578 2.744 ( 0.000 0.697 -8.887) 8.914 2.744 ( 0.000 0.697 8.887) 8.914 2.985 ( 0.000 8.331 -7.665) 11.320 2.985 ( 0.000 8.331 7.665) 11.320 3.101 ( 0.000 6.060 -12.405) 13.806 3.101 ( 0.000 6.060 12.405) 13.806 3.274 ( 0.000 1.178 -11.701) 11.760 3.274 ( 0.000 1.178 11.702) 11.761 3.332 ( 0.000 -4.630 -3.038) 5.538 3.332 ( 0.000 -4.630 3.039) 5.539 3.658 ( 0.000 -3.783 -9.363) 10.098 3.658 ( 0.000 -3.783 9.363) 10.098 4.415 ( 0.000 3.924 -7.914) 8.833 4.415 ( 0.000 3.924 7.914) 8.833 4.533 ( 0.000 -3.213 -20.203) 20.457 4.533 ( 0.000 -3.213 20.203) 20.457 5.405 ( 0.000 -4.168 -13.811) 14.426 5.405 ( 0.000 -4.168 13.811) 14.427 6.091 ( 0.000 -1.787 -2.291) 2.905 6.091 ( 0.000 -1.787 2.291) 2.905 6.460 ( 0.000 2.539 -1.725) 3.070 6.460 ( 0.000 2.539 1.725) 3.070 7.069 ( 0.000 3.763 -12.752) 13.295 7.069 ( 0.000 3.763 12.752) 13.295 7.216 ( 0.000 -0.984 -5.463) 5.551 7.216 ( 0.000 -0.984 5.463) 5.551 7.499 ( 0.000 -5.097 -1.901) 5.440 7.499 ( 0.000 -5.097 1.901) 5.440 8.053 ( 0.000 0.415 -2.889) 2.919 8.053 ( 0.000 0.415 2.889) 2.919 14.723 ( 0.000 -1.291 -7.524) 7.634 14.723 ( 0.000 -1.291 7.524) 7.634 15.026 ( 0.000 -1.204 -1.965) 2.305 15.026 ( 0.000 -1.204 1.965) 2.305 15.586 ( 0.000 -1.387 -3.203) 3.490 15.586 ( 0.000 -1.387 3.203) 3.490 15.994 ( 0.000 -0.222 -3.458) 3.465 15.994 ( 0.000 -0.222 3.458) 3.465 16.289 ( 0.000 0.941 -1.520) 1.787 16.289 ( 0.000 0.941 1.520) 1.787 16.450 ( 0.000 0.144 -7.709) 7.710 16.450 ( 0.000 0.144 7.709) 7.710 18.728 ( 0.000 0.072 -0.096) 0.120 18.728 ( 0.000 0.072 0.096) 0.120 18.794 ( 0.000 0.163 -0.260) 0.307 18.794 ( 0.000 0.163 0.260) 0.307 19.785 ( 0.000 0.063 -1.962) 1.963 19.785 ( 0.000 0.063 1.962) 1.963 20.232 ( 0.000 0.155 -1.535) 1.543 20.232 ( 0.000 0.155 1.535) 1.543 41.598 ( 0.000 0.092 -0.011) 0.092 41.598 ( 0.000 0.092 0.011) 0.092 41.789 ( 0.000 -0.040 -0.430) 0.432 41.789 ( 0.000 -0.040 0.430) 0.432 42.472 ( 0.000 1.192 -5.346) 5.478 42.472 ( 0.000 1.192 5.346) 5.478 42.765 ( 0.000 2.687 -3.659) 4.540 42.765 ( 0.000 2.687 3.659) 4.540 43.064 ( 0.000 2.553 -0.639) 2.632 43.064 ( 0.000 2.553 0.639) 2.632 43.153 ( 0.000 0.629 -2.178) 2.267 43.153 ( 0.000 0.629 2.178) 2.267 43.239 ( 0.000 0.942 -2.139) 2.338 43.239 ( 0.000 0.942 2.139) 2.338 43.694 ( 0.000 1.254 -8.896) 8.984 43.694 ( 0.000 1.254 8.896) 8.984 48.793 ( 0.000 -4.021 -4.798) 6.260 48.793 ( 0.000 -4.021 4.798) 6.260 49.046 ( 0.000 -3.861 -3.193) 5.010 49.046 ( 0.000 -3.861 3.193) 5.010 49.799 ( 0.000 -0.422 -4.161) 4.182 49.799 ( 0.000 -0.422 4.161) 4.182 50.236 ( 0.000 -0.968 -1.296) 1.618 50.236 ( 0.000 -0.968 1.296) 1.618 65.039 ( 0.000 -3.369 -3.269) 4.694 65.039 ( 0.000 -3.369 3.269) 4.694 65.710 ( 0.000 -1.656 -4.959) 5.228 65.710 ( 0.000 -1.656 4.959) 5.228 88.433 ( 0.000 0.412 -2.440) 2.475 88.433 ( 0.000 0.412 2.440) 2.475 88.446 ( 0.000 0.295 -0.174) 0.343 88.446 ( 0.000 0.295 0.174) 0.343 88.563 ( 0.000 -0.205 -0.652) 0.683 88.563 ( 0.000 -0.205 0.652) 0.683 88.773 ( 0.000 -2.915 -1.283) 3.185 88.773 ( 0.000 -2.915 1.283) 3.185 88.871 ( 0.000 -0.074 -0.939) 0.942 88.871 ( 0.000 -0.074 0.939) 0.942 89.087 ( 0.000 -0.843 -0.124) 0.853 89.087 ( 0.000 -0.843 0.124) 0.853 90.958 ( 0.000 3.812 -16.496) 16.931 90.958 ( 0.000 3.812 16.496) 16.931 91.493 ( 0.000 -4.952 -8.633) 9.952 91.493 ( 0.000 -4.952 8.633) 9.952 ======================= Grid point 359 (110/112) ======================= q-point: ( 0.17 0.46 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.598 ( 4.218 -0.229 -3.369) 5.403 2.598 ( 4.218 -0.229 3.369) 5.403 2.811 ( 6.056 1.285 -8.490) 10.507 2.811 ( 6.056 1.285 8.490) 10.507 2.960 ( -2.239 7.582 -7.009) 10.565 2.960 ( -2.239 7.582 7.009) 10.565 3.106 ( 0.813 5.776 -9.599) 11.232 3.106 ( 0.812 5.776 9.599) 11.232 3.262 ( -3.957 -1.988 -9.120) 10.138 3.262 ( -3.957 -1.989 9.120) 10.138 3.345 ( 4.377 -2.163 -7.463) 8.918 3.345 ( 4.377 -2.165 7.464) 8.919 3.719 ( 5.862 -2.644 -6.751) 9.324 3.719 ( 5.862 -2.644 6.751) 9.324 4.382 ( -3.276 3.106 -4.954) 6.702 4.382 ( -3.276 3.106 4.954) 6.702 4.571 ( 3.537 -2.377 -16.944) 17.472 4.571 ( 3.537 -2.377 16.944) 17.472 5.266 ( -12.493 -4.550 -13.071) 18.644 5.266 ( -12.493 -4.550 13.071) 18.645 6.200 ( 9.433 -1.626 -3.174) 10.085 6.200 ( 9.433 -1.627 3.174) 10.085 6.470 ( 1.122 3.223 -2.453) 4.203 6.470 ( 1.122 3.223 2.454) 4.203 6.970 ( -8.816 3.553 -8.350) 12.651 6.970 ( -8.816 3.553 8.350) 12.652 7.162 ( -5.339 -4.437 -5.508) 8.862 7.162 ( -5.339 -4.437 5.508) 8.862 7.556 ( 4.619 -1.587 -1.364) 5.071 7.556 ( 4.619 -1.587 1.364) 5.071 8.071 ( 1.743 -0.047 -2.460) 3.015 8.071 ( 1.743 -0.047 2.460) 3.015 14.740 ( 1.728 -0.833 -7.081) 7.336 14.740 ( 1.728 -0.833 7.081) 7.336 15.007 ( -1.816 -1.704 -2.328) 3.409 15.007 ( -1.816 -1.704 2.328) 3.409 15.616 ( 3.038 -1.143 -2.824) 4.302 15.616 ( 3.038 -1.143 2.824) 4.302 15.969 ( -2.601 -0.525 -2.785) 3.847 15.969 ( -2.601 -0.525 2.786) 3.847 16.293 ( 0.291 2.280 -1.050) 2.527 16.293 ( 0.291 2.280 1.050) 2.527 16.446 ( -0.437 -1.136 -6.822) 6.929 16.446 ( -0.437 -1.136 6.822) 6.929 18.730 ( 0.111 0.081 -0.098) 0.169 18.730 ( 0.111 0.081 0.098) 0.169 18.793 ( -0.168 0.158 -0.235) 0.330 18.793 ( -0.168 0.158 0.235) 0.330 19.786 ( 0.148 0.113 -1.697) 1.707 19.786 ( 0.148 0.113 1.697) 1.707 20.230 ( -0.200 0.149 -1.330) 1.353 20.230 ( -0.200 0.149 1.330) 1.353 41.590 ( -0.707 0.117 -0.020) 0.717 41.590 ( -0.707 0.117 0.020) 0.717 41.786 ( -0.210 -0.012 -0.388) 0.442 41.786 ( -0.210 -0.012 0.388) 0.442 42.513 ( 4.221 1.279 -4.710) 6.453 42.513 ( 4.221 1.279 4.710) 6.453 42.787 ( 2.335 2.593 -3.445) 4.903 42.787 ( 2.335 2.593 3.445) 4.903 43.024 ( -3.920 2.368 -0.884) 4.665 43.024 ( -3.920 2.368 0.885) 4.665 43.121 ( -3.183 0.905 -1.795) 3.765 43.121 ( -3.184 0.905 1.795) 3.765 43.277 ( 3.513 0.869 -2.563) 4.434 43.277 ( 3.513 0.869 2.563) 4.434 43.668 ( -2.750 1.226 -8.353) 8.879 43.668 ( -2.750 1.226 8.353) 8.879 48.813 ( 2.118 -3.952 -4.747) 6.529 48.813 ( 2.118 -3.952 4.747) 6.529 49.033 ( -1.382 -3.912 -3.349) 5.332 49.033 ( -1.382 -3.912 3.349) 5.332 49.826 ( 2.822 -0.458 -3.866) 4.808 49.826 ( 2.822 -0.458 3.866) 4.808 50.205 ( -3.212 -0.941 -1.399) 3.627 50.205 ( -3.212 -0.941 1.399) 3.627 65.049 ( 0.902 -3.328 -2.817) 4.453 65.049 ( 0.902 -3.328 2.817) 4.453 65.708 ( -0.239 -1.775 -4.294) 4.653 65.708 ( -0.239 -1.775 4.294) 4.653 88.368 ( -3.710 0.622 -0.755) 3.837 88.368 ( -3.710 0.622 0.755) 3.837 88.508 ( 3.653 0.902 -1.748) 4.149 88.508 ( 3.653 0.902 1.748) 4.149 88.599 ( 3.102 -0.240 -0.387) 3.135 88.599 ( 3.102 -0.240 0.387) 3.135 88.722 ( -3.435 -3.895 -0.875) 5.267 88.722 ( -3.435 -3.895 0.875) 5.267 88.909 ( 2.591 0.019 -0.228) 2.601 88.909 ( 2.591 0.019 0.228) 2.601 89.127 ( 3.764 -1.077 -0.435) 3.940 89.127 ( 3.764 -1.077 0.435) 3.940 90.958 ( 0.034 4.869 -16.232) 16.946 90.958 ( 0.034 4.869 16.232) 16.946 91.436 ( -5.661 -5.688 -9.551) 12.475 91.436 ( -5.661 -5.688 9.551) 12.475 ======================= Grid point 361 (111/112) ======================= q-point: ( 0.33 0.46 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.686 ( 4.017 2.108 -2.630) 5.244 2.686 ( 4.017 2.108 2.630) 5.244 2.897 ( 1.583 2.029 -4.783) 5.431 2.897 ( 1.583 2.029 4.782) 5.431 2.946 ( 2.221 4.597 -0.535) 5.134 2.946 ( 2.221 4.597 0.536) 5.134 3.100 ( -3.747 2.136 -4.981) 6.589 3.100 ( -3.746 2.136 4.981) 6.588 3.213 ( 1.146 -1.730 -7.005) 7.306 3.213 ( 1.146 -1.730 7.006) 7.307 3.442 ( 4.718 -0.378 -5.787) 7.477 3.442 ( 4.718 -0.378 5.788) 7.477 3.869 ( 10.162 -1.042 -2.081) 10.425 3.869 ( 10.162 -1.042 2.081) 10.425 4.287 ( -7.249 2.280 -4.055) 8.614 4.287 ( -7.250 2.280 4.055) 8.614 4.647 ( 4.127 -2.047 -15.986) 16.637 4.647 ( 4.127 -2.047 15.986) 16.637 5.020 ( -11.845 -4.920 -12.995) 18.258 5.020 ( -11.844 -4.920 12.995) 18.258 6.376 ( 8.031 -0.710 -4.538) 9.252 6.376 ( 8.031 -0.710 4.538) 9.252 6.502 ( 1.988 5.892 -5.139) 8.067 6.502 ( 1.988 5.893 5.139) 8.067 6.802 ( -7.363 -1.336 -5.717) 9.417 6.802 ( -7.363 -1.336 5.717) 9.417 7.037 ( -7.122 -4.390 -4.181) 9.353 7.037 ( -7.122 -4.390 4.181) 9.353 7.633 ( 3.068 0.674 -0.818) 3.246 7.633 ( 3.068 0.674 0.818) 3.246 8.106 ( 1.596 -0.698 -1.443) 2.262 8.106 ( 1.596 -0.698 1.443) 2.262 14.781 ( 2.439 0.695 -5.688) 6.228 14.781 ( 2.439 0.695 5.688) 6.228 14.965 ( -2.451 -3.290 -3.245) 5.231 14.965 ( -2.451 -3.290 3.245) 5.231 15.692 ( 4.668 -0.331 -1.754) 4.998 15.692 ( 4.668 -0.331 1.754) 4.998 15.902 ( -4.283 -1.424 -1.219) 4.675 15.902 ( -4.283 -1.424 1.219) 4.675 16.298 ( 0.251 5.245 -2.222) 5.701 16.298 ( 0.251 5.245 2.222) 5.702 16.437 ( -0.423 -4.038 -4.815) 6.299 16.437 ( -0.423 -4.038 4.815) 6.299 18.732 ( 0.126 0.098 -0.090) 0.183 18.732 ( 0.126 0.098 0.090) 0.183 18.789 ( -0.182 0.148 -0.150) 0.279 18.789 ( -0.182 0.148 0.150) 0.279 19.789 ( 0.148 0.212 -0.978) 1.011 19.789 ( 0.148 0.212 0.978) 1.011 20.226 ( -0.200 0.135 -0.771) 0.808 20.226 ( -0.200 0.135 0.771) 0.808 41.576 ( -0.702 0.167 -0.024) 0.722 41.576 ( -0.702 0.167 0.024) 0.722 41.782 ( -0.206 0.041 -0.285) 0.354 41.782 ( -0.206 0.041 0.285) 0.354 42.621 ( 6.941 1.564 -3.056) 7.743 42.621 ( 6.941 1.564 3.056) 7.743 42.846 ( 3.441 2.313 -2.929) 5.077 42.846 ( 3.441 2.313 2.929) 5.077 42.929 ( -5.720 2.015 -0.935) 6.136 42.929 ( -5.720 2.015 0.935) 6.136 43.043 ( -4.755 1.326 -1.327) 5.112 43.043 ( -4.755 1.326 1.327) 5.112 43.356 ( 4.510 0.813 -3.316) 5.657 43.356 ( 4.510 0.813 3.316) 5.657 43.599 ( -4.206 1.180 -6.586) 7.904 43.599 ( -4.206 1.180 6.586) 7.904 48.865 ( 3.137 -3.705 -4.475) 6.603 48.865 ( 3.137 -3.705 4.475) 6.603 48.996 ( -2.396 -4.124 -3.668) 6.017 48.996 ( -2.396 -4.124 3.668) 6.017 49.901 ( 5.028 -0.547 -3.136) 5.951 49.901 ( 5.028 -0.547 3.136) 5.951 50.122 ( -5.427 -0.870 -1.728) 5.762 50.122 ( -5.427 -0.870 1.728) 5.762 65.067 ( 0.894 -3.231 -1.611) 3.719 65.067 ( 0.894 -3.231 1.611) 3.719 65.703 ( -0.233 -2.026 -2.511) 3.235 65.703 ( -0.233 -2.026 2.511) 3.235 88.309 ( -2.381 1.198 -0.367) 2.691 88.309 ( -2.381 1.198 0.367) 2.691 88.565 ( 2.019 0.774 -1.224) 2.485 88.565 ( 2.019 0.774 1.224) 2.485 88.627 ( -0.954 0.186 -2.330) 2.525 88.627 ( -0.954 0.186 2.330) 2.525 88.705 ( 2.043 -4.991 -2.227) 5.834 88.705 ( 2.043 -4.991 2.227) 5.835 88.954 ( 2.164 -0.157 -0.324) 2.194 88.954 ( 2.164 -0.157 0.324) 2.194 89.202 ( 3.519 -1.420 -0.656) 3.851 89.202 ( 3.519 -1.420 0.656) 3.851 90.965 ( 0.811 8.424 -15.201) 17.398 90.965 ( 0.811 8.424 15.201) 17.398 91.308 ( -6.885 -8.539 -12.054) 16.297 91.308 ( -6.885 -8.539 12.054) 16.298 ======================= Grid point 363 (112/112) ======================= q-point: (-0.50 0.46 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 104 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.722 ( -0.000 5.220 -2.825) 5.935 2.722 ( 0.000 5.220 2.825) 5.935 2.930 ( 0.000 1.461 -7.345) 7.489 2.930 ( 0.000 1.461 7.346) 7.490 2.976 ( 0.000 2.793 -0.030) 2.793 2.976 ( 0.000 2.793 0.029) 2.793 3.028 ( -0.000 -1.539 -5.407) 5.621 3.028 ( 0.000 -1.540 5.407) 5.622 3.240 ( 0.000 0.335 -1.397) 1.436 3.240 ( 0.000 0.336 1.398) 1.437 3.491 ( 0.000 -0.056 -0.458) 0.461 3.491 ( 0.000 -0.054 0.459) 0.462 4.057 ( 0.000 1.451 -0.142) 1.458 4.057 ( -0.000 1.451 0.142) 1.458 4.132 ( 0.000 -0.242 -3.099) 3.108 4.132 ( -0.000 -0.241 3.099) 3.108 4.700 ( 0.000 -2.084 -12.351) 12.526 4.700 ( 0.000 -2.084 12.352) 12.526 4.889 ( -0.000 -4.615 -6.990) 8.375 4.889 ( -0.000 -4.614 6.989) 8.375 6.471 ( -0.000 0.465 -2.975) 3.011 6.471 ( -0.000 0.465 2.975) 3.011 6.510 ( 0.000 9.273 -9.004) 12.926 6.510 ( 0.000 9.273 9.005) 12.926 6.739 ( 0.000 -7.450 -7.933) 10.882 6.739 ( 0.000 -7.450 7.933) 10.882 6.950 ( 0.000 -2.953 -1.719) 3.417 6.950 ( 0.000 -2.953 1.719) 3.417 7.663 ( 0.000 1.152 -0.673) 1.335 7.663 ( 0.000 1.152 0.673) 1.334 8.122 ( 0.000 -0.928 -0.544) 1.076 8.122 ( 0.000 -0.928 0.544) 1.076 14.811 ( 0.000 2.623 -3.781) 4.602 14.811 ( 0.000 2.623 3.781) 4.602 14.935 ( -0.000 -5.237 -3.784) 6.461 14.935 ( 0.000 -5.237 3.784) 6.461 15.761 ( 0.000 1.955 -0.306) 1.979 15.761 ( 0.000 1.955 0.306) 1.979 15.837 ( -0.000 -3.742 -0.559) 3.783 15.837 ( -0.000 -3.742 0.559) 3.783 16.301 ( 0.000 6.900 -3.253) 7.629 16.301 ( 0.000 6.900 3.253) 7.629 16.433 ( 0.000 -5.684 -3.665) 6.763 16.433 ( 0.000 -5.684 3.665) 6.763 18.733 ( 0.000 0.107 -0.073) 0.129 18.733 ( 0.000 0.107 0.073) 0.129 18.787 ( 0.000 0.142 -0.012) 0.143 18.787 ( 0.000 0.142 0.012) 0.143 19.791 ( 0.000 0.263 -0.026) 0.264 19.791 ( 0.000 0.263 0.026) 0.264 20.224 ( 0.000 0.128 -0.083) 0.153 20.224 ( 0.000 0.128 0.083) 0.153 41.568 ( 0.000 0.193 -0.013) 0.194 41.568 ( 0.000 0.193 0.013) 0.194 41.780 ( 0.000 0.065 -0.214) 0.223 41.780 ( 0.000 0.065 0.214) 0.223 42.731 ( -0.000 2.261 -1.065) 2.499 42.731 ( -0.000 2.261 1.065) 2.499 42.816 ( 0.000 1.267 -0.321) 1.307 42.816 ( 0.000 1.267 0.321) 1.307 42.924 ( -0.000 2.002 -0.914) 2.201 42.924 ( -0.000 2.002 0.914) 2.201 42.968 ( 0.000 1.718 -0.520) 1.795 42.968 ( 0.000 1.718 0.520) 1.795 43.415 ( 0.000 0.738 -0.063) 0.741 43.415 ( 0.000 0.738 0.063) 0.741 43.542 ( -0.000 1.211 -0.005) 1.211 43.542 ( -0.000 1.211 0.005) 1.211 48.910 ( -0.000 -3.018 -2.728) 4.068 48.910 ( -0.000 -3.018 2.728) 4.068 48.959 ( 0.000 -4.793 -2.696) 5.499 48.959 ( 0.000 -4.793 2.696) 5.499 49.996 ( -0.000 -0.432 -1.005) 1.094 49.996 ( -0.000 -0.432 1.005) 1.094 50.022 ( 0.000 -0.994 -0.997) 1.408 50.022 ( 0.000 -0.994 0.997) 1.408 65.076 ( 0.000 -3.175 -0.016) 3.175 65.076 ( 0.000 -3.175 0.016) 3.175 65.700 ( 0.000 -2.158 -0.574) 2.233 65.700 ( 0.000 -2.158 0.574) 2.233 88.285 ( 0.000 1.442 -0.192) 1.455 88.285 ( 0.000 1.442 0.192) 1.455 88.582 ( 0.000 -0.235 -0.117) 0.263 88.582 ( -0.000 -0.235 0.117) 0.263 88.614 ( 0.000 -0.179 -3.197) 3.202 88.614 ( 0.000 -0.179 3.197) 3.202 88.731 ( 0.000 -3.789 -2.135) 4.349 88.731 ( 0.000 -3.789 2.135) 4.349 88.979 ( 0.000 -0.467 -0.470) 0.662 88.979 ( 0.000 -0.467 0.470) 0.662 89.238 ( 0.000 -1.593 -0.535) 1.680 89.238 ( 0.000 -1.593 0.535) 1.680 90.978 ( 0.000 12.497 -13.903) 18.694 90.978 ( 0.000 12.497 13.903) 18.694 91.230 ( 0.000 -12.220 -14.083) 18.646 91.230 ( 0.000 -12.220 14.083) 18.646 =================== 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 3/44928 10.0 22.458 15.365 28.301 0.000 0.000 0.000 3/44928 20.0 3.956 3.142 4.507 0.000 0.000 0.000 3/44928 30.0 1.968 1.752 2.157 0.000 0.000 0.000 3/44928 40.0 1.292 1.206 1.397 0.000 0.000 0.000 3/44928 50.0 0.953 0.908 1.034 0.000 0.000 0.000 3/44928 60.0 0.755 0.726 0.828 0.000 0.000 0.000 3/44928 70.0 0.628 0.607 0.697 0.000 0.000 0.000 3/44928 80.0 0.540 0.524 0.606 0.000 0.000 0.000 3/44928 90.0 0.476 0.464 0.539 0.000 0.000 0.000 3/44928 100.0 0.427 0.418 0.488 0.000 0.000 0.000 3/44928 110.0 0.388 0.382 0.447 0.000 0.000 0.000 3/44928 120.0 0.357 0.353 0.413 0.000 0.000 0.000 3/44928 130.0 0.331 0.330 0.384 0.000 0.000 0.000 3/44928 140.0 0.309 0.310 0.360 0.000 0.000 0.000 3/44928 150.0 0.290 0.293 0.339 0.000 0.000 0.000 3/44928 160.0 0.273 0.278 0.320 0.000 0.000 0.000 3/44928 170.0 0.259 0.265 0.304 0.000 0.000 0.000 3/44928 180.0 0.246 0.253 0.289 0.000 0.000 0.000 3/44928 190.0 0.234 0.243 0.276 0.000 0.000 0.000 3/44928 200.0 0.224 0.234 0.264 0.000 0.000 0.000 3/44928 210.0 0.215 0.225 0.253 0.000 0.000 0.000 3/44928 220.0 0.206 0.218 0.243 0.000 0.000 0.000 3/44928 230.0 0.199 0.211 0.234 0.000 0.000 0.000 3/44928 240.0 0.192 0.205 0.226 0.000 0.000 0.000 3/44928 250.0 0.185 0.199 0.218 0.000 0.000 0.000 3/44928 260.0 0.179 0.194 0.211 0.000 0.000 0.000 3/44928 270.0 0.174 0.190 0.204 0.000 0.000 0.000 3/44928 280.0 0.169 0.186 0.198 0.000 0.000 0.000 3/44928 290.0 0.165 0.182 0.192 0.000 0.000 0.000 3/44928 300.0 0.161 0.179 0.187 0.000 0.000 0.000 3/44928 310.0 0.157 0.176 0.182 0.000 0.000 0.000 3/44928 320.0 0.153 0.173 0.177 0.000 0.000 0.000 3/44928 330.0 0.150 0.170 0.173 0.000 0.000 0.000 3/44928 340.0 0.147 0.168 0.169 0.000 0.000 0.000 3/44928 350.0 0.144 0.166 0.165 0.000 0.000 0.000 3/44928 360.0 0.142 0.165 0.162 0.000 0.000 0.000 3/44928 370.0 0.139 0.163 0.158 0.000 0.000 0.000 3/44928 380.0 0.137 0.162 0.155 0.000 0.000 0.000 3/44928 390.0 0.135 0.160 0.152 0.000 0.000 0.000 3/44928 400.0 0.133 0.159 0.149 0.000 0.000 0.000 3/44928 410.0 0.131 0.158 0.146 0.000 0.000 0.000 3/44928 420.0 0.130 0.157 0.144 0.000 0.000 0.000 3/44928 430.0 0.128 0.156 0.141 0.000 0.000 0.000 3/44928 440.0 0.127 0.156 0.139 0.000 0.000 0.000 3/44928 450.0 0.125 0.155 0.137 0.000 0.000 0.000 3/44928 460.0 0.124 0.154 0.135 0.000 0.000 0.000 3/44928 470.0 0.123 0.154 0.133 0.000 0.000 0.000 3/44928 480.0 0.121 0.153 0.131 0.000 0.000 0.000 3/44928 490.0 0.120 0.152 0.129 0.000 0.000 0.000 3/44928 500.0 0.119 0.152 0.127 0.000 0.000 0.000 3/44928 510.0 0.118 0.151 0.125 0.000 0.000 0.000 3/44928 520.0 0.117 0.151 0.124 0.000 0.000 0.000 3/44928 530.0 0.116 0.150 0.122 0.000 0.000 0.000 3/44928 540.0 0.115 0.149 0.121 0.000 0.000 0.000 3/44928 550.0 0.114 0.149 0.119 0.000 0.000 0.000 3/44928 560.0 0.113 0.148 0.118 0.000 0.000 0.000 3/44928 570.0 0.112 0.148 0.116 0.000 0.000 0.000 3/44928 580.0 0.111 0.147 0.115 0.000 0.000 0.000 3/44928 590.0 0.110 0.147 0.114 0.000 0.000 0.000 3/44928 600.0 0.109 0.146 0.112 0.000 0.000 0.000 3/44928 610.0 0.108 0.145 0.111 0.000 0.000 0.000 3/44928 620.0 0.107 0.145 0.110 0.000 0.000 0.000 3/44928 630.0 0.106 0.144 0.109 0.000 0.000 0.000 3/44928 640.0 0.105 0.144 0.108 0.000 0.000 0.000 3/44928 650.0 0.105 0.143 0.107 0.000 0.000 0.000 3/44928 660.0 0.104 0.142 0.106 0.000 0.000 0.000 3/44928 670.0 0.103 0.142 0.105 0.000 0.000 0.000 3/44928 680.0 0.102 0.141 0.104 0.000 0.000 0.000 3/44928 690.0 0.101 0.140 0.103 0.000 0.000 0.000 3/44928 700.0 0.101 0.140 0.102 0.000 0.000 0.000 3/44928 710.0 0.100 0.139 0.101 0.000 0.000 0.000 3/44928 720.0 0.099 0.138 0.100 0.000 0.000 0.000 3/44928 730.0 0.098 0.138 0.099 0.000 0.000 0.000 3/44928 740.0 0.098 0.137 0.098 0.000 0.000 0.000 3/44928 750.0 0.097 0.136 0.097 0.000 0.000 0.000 3/44928 760.0 0.096 0.136 0.096 0.000 0.000 0.000 3/44928 770.0 0.095 0.135 0.095 0.000 0.000 0.000 3/44928 780.0 0.095 0.134 0.095 0.000 0.000 0.000 3/44928 790.0 0.094 0.134 0.094 0.000 0.000 0.000 3/44928 800.0 0.093 0.133 0.093 0.000 0.000 0.000 3/44928 810.0 0.093 0.132 0.092 0.000 0.000 0.000 3/44928 820.0 0.092 0.132 0.092 0.000 0.000 0.000 3/44928 830.0 0.091 0.131 0.091 0.000 0.000 0.000 3/44928 840.0 0.091 0.130 0.090 0.000 0.000 0.000 3/44928 850.0 0.090 0.130 0.089 0.000 0.000 0.000 3/44928 860.0 0.089 0.129 0.089 0.000 0.000 0.000 3/44928 870.0 0.089 0.128 0.088 0.000 0.000 0.000 3/44928 880.0 0.088 0.127 0.087 0.000 0.000 0.000 3/44928 890.0 0.087 0.127 0.087 0.000 0.000 0.000 3/44928 900.0 0.087 0.126 0.086 0.000 0.000 0.000 3/44928 910.0 0.086 0.125 0.085 0.000 0.000 0.000 3/44928 920.0 0.085 0.125 0.085 0.000 0.000 0.000 3/44928 930.0 0.085 0.124 0.084 0.000 0.000 0.000 3/44928 940.0 0.084 0.123 0.084 0.000 0.000 0.000 3/44928 950.0 0.084 0.123 0.083 0.000 0.000 0.000 3/44928 960.0 0.083 0.122 0.082 0.000 0.000 0.000 3/44928 970.0 0.082 0.121 0.082 0.000 0.000 0.000 3/44928 980.0 0.082 0.121 0.081 0.000 0.000 0.000 3/44928 990.0 0.081 0.120 0.081 0.000 0.000 0.000 3/44928 1000.0 0.081 0.119 0.080 0.000 0.000 0.000 3/44928 Thermal conductivity related properties were written into "kappa-m6136.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 05:52:17]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|