----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 05:59:19]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [1 1 2] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/c (15) Number of symmetry operations in supercell: 16 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 4.993847595000561 -4.993604094999999 0.000000000000000 b 4.993847595000561 4.993604094999999 0.000000000000000 c -2.489346503161027 0.000000000000000 7.473575811404778 Atomic positions (fractional): *1 Be 0.89023761639812 0.76924490003869 0.57327133640224 9.012 *2 Be 0.39715595707270 0.77021413090663 0.57693609554613 9.012 3 Be 0.60284404292730 0.22978586909337 0.42306390445387 9.012 4 Be 0.10976238360188 0.23075509996131 0.42672866359776 9.012 5 Be 0.77021413090663 0.39715595707270 0.07693609554613 9.012 6 Be 0.76924490003869 0.89023761639812 0.07327133640224 9.012 7 Be 0.22978586909337 0.60284404292730 0.92306390445387 9.012 8 Be 0.23075509996131 0.10976238360188 0.92672866359776 9.012 *9 P 0.05679461611013 0.94320538388987 0.25000000000000 30.974 *10 P 0.05762502462107 0.43328952277502 0.25336222065304 30.974 11 P 0.56671047722498 0.94237497537893 0.24663777934696 30.974 *12 P 0.56789551949752 0.43210448050248 0.25000000000000 30.974 *13 P 0.10745122197754 0.73173125377952 0.42159053869863 30.974 *14 P 0.60217454010996 0.73023145303458 0.41661986808837 30.974 15 P 0.39782545989004 0.26976854696542 0.58338013191163 30.974 16 P 0.89254877802246 0.26826874622048 0.57840946130137 30.974 17 P 0.26976854696542 0.39782545989004 0.08338013191163 30.974 18 P 0.26826874622048 0.89254877802246 0.07840946130137 30.974 19 P 0.73023145303458 0.60217454010996 0.91661986808837 30.974 20 P 0.43210448050248 0.56789551949752 0.75000000000000 30.974 21 P 0.43328952277502 0.05762502462107 0.75336222065304 30.974 22 P 0.94237497537893 0.56671047722498 0.74663777934696 30.974 23 P 0.73173125377952 0.10745122197754 0.92159053869863 30.974 24 P 0.94320538388987 0.05679461611013 0.75000000000000 30.974 -------------------------------- unit cell --------------------------------- Lattice vectors: a 9.987695190001123 0.000000000000000 0.000000000000000 b 0.000000000000000 9.987208189999999 0.000000000000000 c -2.489346503161027 0.000000000000000 7.473575811404778 Atomic positions (fractional): *1 Be 0.32974125821840 0.43950364182029 0.57327133640224 9.012 > 1 *2 Be 0.08368504398966 0.68652908691696 0.57693609554613 9.012 > 2 3 Be 0.91631495601034 0.31347091308304 0.42306390445387 9.012 > 3 4 Be 0.67025874178159 0.56049635817971 0.42672866359776 9.012 > 4 5 Be 0.08368504398966 0.31347091308304 0.07693609554613 9.012 > 5 6 Be 0.32974125821840 0.56049635817971 0.07327133640224 9.012 > 6 7 Be 0.91631495601034 0.68652908691696 0.92306390445387 9.012 > 7 8 Be 0.67025874178159 0.43950364182029 0.92672866359776 9.012 > 8 9 Be 0.82974125821841 0.93950364182029 0.57327133640224 9.012 > 1 10 Be 0.58368504398966 0.18652908691696 0.57693609554613 9.012 > 2 11 Be 0.41631495601034 0.81347091308304 0.42306390445387 9.012 > 3 12 Be 0.17025874178160 0.06049635817971 0.42672866359776 9.012 > 4 13 Be 0.58368504398966 0.81347091308304 0.07693609554613 9.012 > 5 14 Be 0.82974125821841 0.06049635817971 0.07327133640224 9.012 > 6 15 Be 0.41631495601034 0.18652908691696 0.92306390445387 9.012 > 7 16 Be 0.17025874178160 0.93950364182029 0.92672866359776 9.012 > 8 *17 P 0.00000000000000 0.94320538388987 0.25000000000000 30.974 > 9 *18 P 0.74545727369805 0.68783224907698 0.25336222065304 30.974 > 10 19 P 0.25454272630196 0.68783224907698 0.24663777934696 30.974 > 11 *20 P 0.00000000000000 0.43210448050248 0.25000000000000 30.974 > 12 *21 P 0.91959123787853 0.81214001590099 0.42159053869863 30.974 > 13 *22 P 0.16620299657227 0.56402845646231 0.41661986808837 30.974 > 14 23 P 0.83379700342773 0.43597154353769 0.58338013191163 30.974 > 15 24 P 0.08040876212147 0.18785998409901 0.57840946130137 30.974 > 16 25 P 0.83379700342773 0.56402845646231 0.08338013191163 30.974 > 17 26 P 0.08040876212147 0.81214001590099 0.07840946130137 30.974 > 18 27 P 0.16620299657227 0.43597154353769 0.91661986808837 30.974 > 19 28 P 0.00000000000000 0.56789551949752 0.75000000000000 30.974 > 20 29 P 0.74545727369805 0.31216775092302 0.75336222065304 30.974 > 21 30 P 0.25454272630196 0.31216775092302 0.74663777934696 30.974 > 22 31 P 0.91959123787853 0.18785998409901 0.92159053869863 30.974 > 23 32 P 0.00000000000000 0.05679461611013 0.75000000000000 30.974 > 24 33 P 0.50000000000000 0.44320538388987 0.25000000000000 30.974 > 9 34 P 0.24545727369804 0.18783224907698 0.25336222065304 30.974 > 10 35 P 0.75454272630195 0.18783224907698 0.24663777934696 30.974 > 11 36 P 0.50000000000000 0.93210448050248 0.25000000000000 30.974 > 12 37 P 0.41959123787853 0.31214001590099 0.42159053869863 30.974 > 13 38 P 0.66620299657227 0.06402845646231 0.41661986808837 30.974 > 14 39 P 0.33379700342773 0.93597154353769 0.58338013191163 30.974 > 15 40 P 0.58040876212147 0.68785998409901 0.57840946130137 30.974 > 16 41 P 0.33379700342773 0.06402845646231 0.08338013191163 30.974 > 17 42 P 0.58040876212147 0.31214001590099 0.07840946130137 30.974 > 18 43 P 0.66620299657227 0.93597154353769 0.91661986808837 30.974 > 19 44 P 0.50000000000000 0.06789551949752 0.75000000000000 30.974 > 20 45 P 0.24545727369804 0.81216775092302 0.75336222065304 30.974 > 21 46 P 0.75454272630195 0.81216775092302 0.74663777934696 30.974 > 22 47 P 0.41959123787853 0.68785998409901 0.92159053869863 30.974 > 23 48 P 0.50000000000000 0.55679461611013 0.75000000000000 30.974 > 24 -------------------------------- super cell -------------------------------- Lattice vectors: a 9.987695190001123 0.000000000000000 0.000000000000000 b 0.000000000000000 9.987208189999999 0.000000000000000 c -4.978693006322054 0.000000000000000 14.947151622809557 Atomic positions (fractional): *1 Be 0.32974125821840 0.43950364182029 0.28663566820112 9.012 > 1 2 Be 0.32974125821840 0.43950364182029 0.78663566820112 9.012 > 1 *3 Be 0.08368504398966 0.68652908691696 0.28846804777307 9.012 > 2 4 Be 0.08368504398966 0.68652908691696 0.78846804777307 9.012 > 2 5 Be 0.91631495601034 0.31347091308304 0.21153195222693 9.012 > 3 6 Be 0.91631495601034 0.31347091308304 0.71153195222693 9.012 > 3 7 Be 0.67025874178159 0.56049635817971 0.21336433179888 9.012 > 4 8 Be 0.67025874178159 0.56049635817971 0.71336433179888 9.012 > 4 9 Be 0.08368504398966 0.31347091308304 0.03846804777306 9.012 > 5 10 Be 0.08368504398966 0.31347091308304 0.53846804777307 9.012 > 5 11 Be 0.32974125821840 0.56049635817971 0.03663566820112 9.012 > 6 12 Be 0.32974125821840 0.56049635817971 0.53663566820112 9.012 > 6 13 Be 0.91631495601034 0.68652908691696 0.46153195222693 9.012 > 7 14 Be 0.91631495601034 0.68652908691696 0.96153195222693 9.012 > 7 15 Be 0.67025874178159 0.43950364182029 0.46336433179888 9.012 > 8 16 Be 0.67025874178159 0.43950364182029 0.96336433179888 9.012 > 8 17 Be 0.82974125821841 0.93950364182029 0.28663566820112 9.012 > 1 18 Be 0.82974125821841 0.93950364182029 0.78663566820112 9.012 > 1 19 Be 0.58368504398966 0.18652908691696 0.28846804777307 9.012 > 2 20 Be 0.58368504398966 0.18652908691696 0.78846804777307 9.012 > 2 21 Be 0.41631495601034 0.81347091308304 0.21153195222693 9.012 > 3 22 Be 0.41631495601034 0.81347091308304 0.71153195222693 9.012 > 3 23 Be 0.17025874178160 0.06049635817971 0.21336433179888 9.012 > 4 24 Be 0.17025874178160 0.06049635817971 0.71336433179888 9.012 > 4 25 Be 0.58368504398966 0.81347091308304 0.03846804777306 9.012 > 5 26 Be 0.58368504398966 0.81347091308304 0.53846804777307 9.012 > 5 27 Be 0.82974125821841 0.06049635817971 0.03663566820112 9.012 > 6 28 Be 0.82974125821841 0.06049635817971 0.53663566820112 9.012 > 6 29 Be 0.41631495601034 0.18652908691696 0.46153195222693 9.012 > 7 30 Be 0.41631495601034 0.18652908691696 0.96153195222693 9.012 > 7 31 Be 0.17025874178160 0.93950364182029 0.46336433179888 9.012 > 8 32 Be 0.17025874178160 0.93950364182029 0.96336433179888 9.012 > 8 *33 P 0.00000000000000 0.94320538388987 0.12500000000000 30.974 > 9 34 P 0.00000000000000 0.94320538388987 0.62500000000000 30.974 > 9 *35 P 0.74545727369805 0.68783224907698 0.12668111032652 30.974 > 10 36 P 0.74545727369805 0.68783224907698 0.62668111032652 30.974 > 10 37 P 0.25454272630196 0.68783224907698 0.12331888967348 30.974 > 11 38 P 0.25454272630196 0.68783224907698 0.62331888967348 30.974 > 11 *39 P 0.00000000000000 0.43210448050248 0.12500000000000 30.974 > 12 40 P 0.00000000000000 0.43210448050248 0.62500000000000 30.974 > 12 *41 P 0.91959123787853 0.81214001590099 0.21079526934931 30.974 > 13 42 P 0.91959123787853 0.81214001590099 0.71079526934931 30.974 > 13 *43 P 0.16620299657227 0.56402845646231 0.20830993404418 30.974 > 14 44 P 0.16620299657227 0.56402845646231 0.70830993404418 30.974 > 14 45 P 0.83379700342773 0.43597154353769 0.29169006595582 30.974 > 15 46 P 0.83379700342773 0.43597154353769 0.79169006595582 30.974 > 15 47 P 0.08040876212147 0.18785998409901 0.28920473065069 30.974 > 16 48 P 0.08040876212147 0.18785998409901 0.78920473065069 30.974 > 16 49 P 0.83379700342773 0.56402845646231 0.04169006595582 30.974 > 17 50 P 0.83379700342773 0.56402845646231 0.54169006595582 30.974 > 17 51 P 0.08040876212147 0.81214001590099 0.03920473065069 30.974 > 18 52 P 0.08040876212147 0.81214001590099 0.53920473065069 30.974 > 18 53 P 0.16620299657227 0.43597154353769 0.45830993404418 30.974 > 19 54 P 0.16620299657227 0.43597154353769 0.95830993404418 30.974 > 19 55 P 0.00000000000000 0.56789551949752 0.37500000000000 30.974 > 20 56 P 0.00000000000000 0.56789551949752 0.87500000000000 30.974 > 20 57 P 0.74545727369805 0.31216775092302 0.37668111032652 30.974 > 21 58 P 0.74545727369805 0.31216775092302 0.87668111032652 30.974 > 21 59 P 0.25454272630196 0.31216775092302 0.37331888967348 30.974 > 22 60 P 0.25454272630196 0.31216775092302 0.87331888967348 30.974 > 22 61 P 0.91959123787853 0.18785998409901 0.46079526934931 30.974 > 23 62 P 0.91959123787853 0.18785998409901 0.96079526934931 30.974 > 23 63 P 0.00000000000000 0.05679461611013 0.37500000000000 30.974 > 24 64 P 0.00000000000000 0.05679461611013 0.87500000000000 30.974 > 24 65 P 0.50000000000000 0.44320538388987 0.12500000000000 30.974 > 9 66 P 0.50000000000000 0.44320538388987 0.62500000000000 30.974 > 9 67 P 0.24545727369804 0.18783224907698 0.12668111032652 30.974 > 10 68 P 0.24545727369804 0.18783224907698 0.62668111032652 30.974 > 10 69 P 0.75454272630195 0.18783224907698 0.12331888967348 30.974 > 11 70 P 0.75454272630195 0.18783224907698 0.62331888967348 30.974 > 11 71 P 0.50000000000000 0.93210448050248 0.12500000000000 30.974 > 12 72 P 0.50000000000000 0.93210448050248 0.62500000000000 30.974 > 12 73 P 0.41959123787853 0.31214001590099 0.21079526934931 30.974 > 13 74 P 0.41959123787853 0.31214001590099 0.71079526934931 30.974 > 13 75 P 0.66620299657227 0.06402845646231 0.20830993404418 30.974 > 14 76 P 0.66620299657227 0.06402845646231 0.70830993404418 30.974 > 14 77 P 0.33379700342773 0.93597154353769 0.29169006595582 30.974 > 15 78 P 0.33379700342773 0.93597154353769 0.79169006595582 30.974 > 15 79 P 0.58040876212147 0.68785998409901 0.28920473065069 30.974 > 16 80 P 0.58040876212147 0.68785998409901 0.78920473065069 30.974 > 16 81 P 0.33379700342773 0.06402845646231 0.04169006595582 30.974 > 17 82 P 0.33379700342773 0.06402845646231 0.54169006595582 30.974 > 17 83 P 0.58040876212147 0.31214001590099 0.03920473065069 30.974 > 18 84 P 0.58040876212147 0.31214001590099 0.53920473065069 30.974 > 18 85 P 0.66620299657227 0.93597154353769 0.45830993404418 30.974 > 19 86 P 0.66620299657227 0.93597154353769 0.95830993404418 30.974 > 19 87 P 0.50000000000000 0.06789551949752 0.37500000000000 30.974 > 20 88 P 0.50000000000000 0.06789551949752 0.87500000000000 30.974 > 20 89 P 0.24545727369804 0.81216775092302 0.37668111032652 30.974 > 21 90 P 0.24545727369804 0.81216775092302 0.87668111032652 30.974 > 21 91 P 0.75454272630195 0.81216775092302 0.37331888967348 30.974 > 22 92 P 0.75454272630195 0.81216775092302 0.87331888967348 30.974 > 22 93 P 0.41959123787853 0.68785998409901 0.46079526934931 30.974 > 23 94 P 0.41959123787853 0.68785998409901 0.96079526934931 30.974 > 23 95 P 0.50000000000000 0.55679461611013 0.37500000000000 30.974 > 24 96 P 0.50000000000000 0.55679461611013 0.87500000000000 30.974 > 24 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 10.4828088 0.0000000 -0.0000526 0.0000000 10.4290051 0.0000000 -0.0000516 0.0000000 10.1567763 -------------------------- Born effective charges -------------------------- 1 Be 0.6526856 -0.1994570 0.0050699 -0.1955847 0.6395745 -0.0214769 0.0477711 -0.0130185 0.6610325 2 Be 0.5039770 0.0056754 -0.0141142 -0.0037550 0.5173254 -0.0077465 0.0025269 0.0306932 0.7222552 3 Be 0.5039770 0.0056754 -0.0141142 -0.0037550 0.5173254 -0.0077465 0.0025269 0.0306932 0.7222552 4 Be 0.6526856 -0.1994570 0.0050699 -0.1955847 0.6395745 -0.0214769 0.0477711 -0.0130185 0.6610325 5 Be 0.5039770 -0.0056754 -0.0141142 0.0037550 0.5173254 0.0077465 0.0025269 -0.0306932 0.7222552 6 Be 0.6526856 0.1994570 0.0050699 0.1955847 0.6395745 0.0214769 0.0477711 0.0130185 0.6610325 7 Be 0.5039770 -0.0056754 -0.0141142 0.0037550 0.5173254 0.0077465 0.0025269 -0.0306932 0.7222552 8 Be 0.6526856 0.1994570 0.0050699 0.1955847 0.6395745 0.0214769 0.0477711 0.0130185 0.6610325 9 P -0.4098227 0.0000000 -0.3008134 0.0000000 -0.5026613 0.0000000 -0.3759486 -0.0000000 -0.2337912 10 P -0.3926251 0.1346285 -0.0208506 0.1362883 -0.3144597 0.2859697 0.0280281 0.3587558 -0.2911983 11 P -0.3926251 -0.1346285 -0.0208506 -0.1362883 -0.3144597 -0.2859697 0.0280281 -0.3587558 -0.2911983 12 P -0.2515038 0.0000000 0.2570239 0.0000000 -0.3050274 0.0000000 0.3345369 -0.0000000 -0.3402758 13 P -0.1666512 0.2832483 0.1091377 0.2953973 -0.1472327 -0.0648841 -0.0931071 0.0149473 -0.4571213 14 P -0.2667230 0.4887279 -0.0573480 0.4902231 -0.2913632 0.1137333 0.0354868 -0.0819917 -0.3479346 15 P -0.2667230 0.4887279 -0.0573480 0.4902231 -0.2913632 0.1137333 0.0354868 -0.0819917 -0.3479346 16 P -0.1666512 0.2832483 0.1091377 0.2953973 -0.1472327 -0.0648841 -0.0931071 0.0149473 -0.4571213 17 P -0.2667230 -0.4887279 -0.0573480 -0.4902231 -0.2913632 -0.1137333 0.0354868 0.0819917 -0.3479346 18 P -0.1666512 -0.2832483 0.1091377 -0.2953973 -0.1472327 0.0648841 -0.0931071 -0.0149473 -0.4571213 19 P -0.2667230 -0.4887279 -0.0573480 -0.4902231 -0.2913632 -0.1137333 0.0354868 0.0819917 -0.3479346 20 P -0.2515038 0.0000000 0.2570239 0.0000000 -0.3050274 0.0000000 0.3345369 -0.0000000 -0.3402758 21 P -0.3926251 -0.1346285 -0.0208506 -0.1362883 -0.3144597 -0.2859697 0.0280281 -0.3587558 -0.2911983 22 P -0.3926251 0.1346285 -0.0208506 0.1362883 -0.3144597 0.2859697 0.0280281 0.3587558 -0.2911983 23 P -0.1666512 -0.2832483 0.1091377 -0.2953973 -0.1472327 0.0648841 -0.0931071 -0.0149473 -0.4571213 24 P -0.4098227 0.0000000 -0.3008134 0.0000000 -0.5026613 0.0000000 -0.3759486 -0.0000000 -0.2337912 ---------------------------------------------------------------------------- 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: 13320/13320 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 2704 Number of blocks in projector: 2704 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: 584 Use submatrix version of eigh solver. (1) Block: 584 / 584 (2) Block: 250 / 584 (2) 237 eigenvectors found. (2) Block: 500 / 584 (2) 239 eigenvectors found. (2) Block: 584 / 584 (2) 77 eigenvectors found. (2) Complementary block size: 31 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 571 eigenvectors found. (1) Complementary block size: 12 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 568 Use submatrix version of eigh solver. (1) Block: 568 / 568 (2) Block: 250 / 568 (2) 240 eigenvectors found. (2) Block: 500 / 568 (2) 240 eigenvectors found. (2) Block: 568 / 568 (2) 62 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 558 eigenvectors found. (1) Complementary block size: 10 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 568 Use submatrix version of eigh solver. (1) Block: 568 / 568 (2) Block: 250 / 568 (2) 240 eigenvectors found. (2) Block: 500 / 568 (2) 240 eigenvectors found. (2) Block: 568 / 568 (2) 62 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 558 eigenvectors found. (1) Complementary block size: 10 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 328 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 328 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 328 Use standard eigh solver. Tree of FC basis block matrices: - (2704, 2650), data: False |-- (328, 321), data: True |-- (328, 321), data: True |-- (328, 321), data: True |-- (568, 558), data: False |-- (568, 558), data: False |-- (568, 16), data: (568, 26) @ (26, 16) |-- (68, 62), data: True |-- (250, 240), data: True |-- (250, 240), data: True |-- (568, 558), data: False |-- (568, 558), data: False |-- (568, 16), data: (568, 26) @ (26, 16) |-- (68, 62), data: True |-- (250, 240), data: True |-- (250, 240), data: True |-- (584, 571), data: False |-- (584, 571), data: False |-- (584, 18), data: (584, 31) @ (31, 18) |-- (84, 77), data: True |-- (250, 239), data: True |-- (250, 237), data: True ----- Solver_atoms: 1 -- 96 / 96 Time (Solver_compr_matrix_reshape): 0.002 Solver_block: 100 / 720 - Time: 1.634 Solver_block: 200 / 720 - Time: 0.734 Solver_block: 300 / 720 - Time: 0.695 Solver_block: 400 / 720 - Time: 1.300 Solver_block: 500 / 720 - Time: 1.786 Solver_block: 600 / 720 - Time: 1.842 Solver_block: 700 / 720 - Time: 2.230 Solver_block: 720 / 720 - Time: 0.501 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 11.442 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (xx) -0.00000000 (xx) Permutation basis: 288/288 Permutation basis: 13320/13320 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 2704 Number of blocks in projector: 2704 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: 584 Use submatrix version of eigh solver. (1) Block: 584 / 584 (2) Block: 250 / 584 (2) 237 eigenvectors found. (2) Block: 500 / 584 (2) 239 eigenvectors found. (2) Block: 584 / 584 (2) 77 eigenvectors found. (2) Complementary block size: 31 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 571 eigenvectors found. (1) Complementary block size: 12 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 568 Use submatrix version of eigh solver. (1) Block: 568 / 568 (2) Block: 250 / 568 (2) 240 eigenvectors found. (2) Block: 500 / 568 (2) 240 eigenvectors found. (2) Block: 568 / 568 (2) 62 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 558 eigenvectors found. (1) Complementary block size: 10 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 568 Use submatrix version of eigh solver. (1) Block: 568 / 568 (2) Block: 250 / 568 (2) 240 eigenvectors found. (2) Block: 500 / 568 (2) 240 eigenvectors found. (2) Block: 568 / 568 (2) 62 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 558 eigenvectors found. (1) Complementary block size: 10 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 328 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 328 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 328 Use standard eigh solver. Tree of FC basis block matrices: - (2704, 2650), data: False |-- (328, 321), data: True |-- (328, 321), data: True |-- (328, 321), data: True |-- (568, 558), data: False |-- (568, 558), data: False |-- (568, 16), data: (568, 26) @ (26, 16) |-- (68, 62), data: True |-- (250, 240), data: True |-- (250, 240), data: True |-- (568, 558), data: False |-- (568, 558), data: False |-- (568, 16), data: (568, 26) @ (26, 16) |-- (68, 62), data: True |-- (250, 240), data: True |-- (250, 240), data: True |-- (584, 571), data: False |-- (584, 571), data: False |-- (584, 18), data: (584, 31) @ (31, 18) |-- (84, 77), data: True |-- (250, 239), data: True |-- (250, 237), data: True Max drift after symmetrization by symfc projector: -0.00000000 (xx) -0.00000000 (xx) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 06:00:16]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 06:00:17]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [1 1 2] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/c (15) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 4.993847595000561 -4.993604094999999 0.000000000000000 b 4.993847595000561 4.993604094999999 0.000000000000000 c -2.489346503161027 0.000000000000000 7.473575811404778 Atomic positions (fractional): 1 Be 0.89023761639812 0.76924490003869 0.57327133640224 9.012 2 Be 0.39715595707270 0.77021413090663 0.57693609554613 9.012 3 Be 0.60284404292730 0.22978586909337 0.42306390445387 9.012 4 Be 0.10976238360188 0.23075509996131 0.42672866359776 9.012 5 Be 0.77021413090663 0.39715595707270 0.07693609554613 9.012 6 Be 0.76924490003869 0.89023761639812 0.07327133640224 9.012 7 Be 0.22978586909337 0.60284404292730 0.92306390445387 9.012 8 Be 0.23075509996131 0.10976238360188 0.92672866359776 9.012 9 P 0.05679461611013 0.94320538388987 0.25000000000000 30.974 10 P 0.05762502462107 0.43328952277502 0.25336222065304 30.974 11 P 0.56671047722498 0.94237497537893 0.24663777934696 30.974 12 P 0.56789551949752 0.43210448050248 0.25000000000000 30.974 13 P 0.10745122197754 0.73173125377952 0.42159053869863 30.974 14 P 0.60217454010996 0.73023145303458 0.41661986808837 30.974 15 P 0.39782545989004 0.26976854696542 0.58338013191163 30.974 16 P 0.89254877802246 0.26826874622048 0.57840946130137 30.974 17 P 0.26976854696542 0.39782545989004 0.08338013191163 30.974 18 P 0.26826874622048 0.89254877802246 0.07840946130137 30.974 19 P 0.73023145303458 0.60217454010996 0.91661986808837 30.974 20 P 0.43210448050248 0.56789551949752 0.75000000000000 30.974 21 P 0.43328952277502 0.05762502462107 0.75336222065304 30.974 22 P 0.94237497537893 0.56671047722498 0.74663777934696 30.974 23 P 0.73173125377952 0.10745122197754 0.92159053869863 30.974 24 P 0.94320538388987 0.05679461611013 0.75000000000000 30.974 -------------------------------- supercell --------------------------------- Lattice vectors: a 9.987695190001123 0.000000000000000 0.000000000000000 b 0.000000000000000 9.987208189999999 0.000000000000000 c -4.978693006322054 0.000000000000000 14.947151622809557 Atomic positions (fractional): 1 Be 0.32974125821840 0.43950364182029 0.28663566820112 9.012 > 1 2 Be 0.32974125821840 0.43950364182029 0.78663566820112 9.012 > 1 3 Be 0.08368504398966 0.68652908691696 0.28846804777307 9.012 > 3 4 Be 0.08368504398966 0.68652908691696 0.78846804777307 9.012 > 3 5 Be 0.91631495601034 0.31347091308304 0.21153195222693 9.012 > 5 6 Be 0.91631495601034 0.31347091308304 0.71153195222693 9.012 > 5 7 Be 0.67025874178159 0.56049635817971 0.21336433179888 9.012 > 7 8 Be 0.67025874178159 0.56049635817971 0.71336433179888 9.012 > 7 9 Be 0.08368504398966 0.31347091308304 0.03846804777306 9.012 > 9 10 Be 0.08368504398966 0.31347091308304 0.53846804777307 9.012 > 9 11 Be 0.32974125821840 0.56049635817971 0.03663566820112 9.012 > 11 12 Be 0.32974125821840 0.56049635817971 0.53663566820112 9.012 > 11 13 Be 0.91631495601034 0.68652908691696 0.46153195222693 9.012 > 13 14 Be 0.91631495601034 0.68652908691696 0.96153195222693 9.012 > 13 15 Be 0.67025874178159 0.43950364182029 0.46336433179888 9.012 > 15 16 Be 0.67025874178159 0.43950364182029 0.96336433179888 9.012 > 15 17 Be 0.82974125821841 0.93950364182029 0.28663566820112 9.012 > 1 18 Be 0.82974125821841 0.93950364182029 0.78663566820112 9.012 > 1 19 Be 0.58368504398966 0.18652908691696 0.28846804777307 9.012 > 3 20 Be 0.58368504398966 0.18652908691696 0.78846804777307 9.012 > 3 21 Be 0.41631495601034 0.81347091308304 0.21153195222693 9.012 > 5 22 Be 0.41631495601034 0.81347091308304 0.71153195222693 9.012 > 5 23 Be 0.17025874178160 0.06049635817971 0.21336433179888 9.012 > 7 24 Be 0.17025874178160 0.06049635817971 0.71336433179888 9.012 > 7 25 Be 0.58368504398966 0.81347091308304 0.03846804777306 9.012 > 9 26 Be 0.58368504398966 0.81347091308304 0.53846804777307 9.012 > 9 27 Be 0.82974125821841 0.06049635817971 0.03663566820112 9.012 > 11 28 Be 0.82974125821841 0.06049635817971 0.53663566820112 9.012 > 11 29 Be 0.41631495601034 0.18652908691696 0.46153195222693 9.012 > 13 30 Be 0.41631495601034 0.18652908691696 0.96153195222693 9.012 > 13 31 Be 0.17025874178160 0.93950364182029 0.46336433179888 9.012 > 15 32 Be 0.17025874178160 0.93950364182029 0.96336433179888 9.012 > 15 33 P 0.00000000000000 0.94320538388987 0.12500000000000 30.974 > 33 34 P 0.00000000000000 0.94320538388987 0.62500000000000 30.974 > 33 35 P 0.74545727369805 0.68783224907698 0.12668111032652 30.974 > 35 36 P 0.74545727369805 0.68783224907698 0.62668111032652 30.974 > 35 37 P 0.25454272630196 0.68783224907698 0.12331888967348 30.974 > 37 38 P 0.25454272630196 0.68783224907698 0.62331888967348 30.974 > 37 39 P 0.00000000000000 0.43210448050248 0.12500000000000 30.974 > 39 40 P 0.00000000000000 0.43210448050248 0.62500000000000 30.974 > 39 41 P 0.91959123787853 0.81214001590099 0.21079526934931 30.974 > 41 42 P 0.91959123787853 0.81214001590099 0.71079526934931 30.974 > 41 43 P 0.16620299657227 0.56402845646231 0.20830993404418 30.974 > 43 44 P 0.16620299657227 0.56402845646231 0.70830993404418 30.974 > 43 45 P 0.83379700342773 0.43597154353769 0.29169006595582 30.974 > 45 46 P 0.83379700342773 0.43597154353769 0.79169006595582 30.974 > 45 47 P 0.08040876212147 0.18785998409901 0.28920473065069 30.974 > 47 48 P 0.08040876212147 0.18785998409901 0.78920473065069 30.974 > 47 49 P 0.83379700342773 0.56402845646231 0.04169006595582 30.974 > 49 50 P 0.83379700342773 0.56402845646231 0.54169006595582 30.974 > 49 51 P 0.08040876212147 0.81214001590099 0.03920473065069 30.974 > 51 52 P 0.08040876212147 0.81214001590099 0.53920473065069 30.974 > 51 53 P 0.16620299657227 0.43597154353769 0.45830993404418 30.974 > 53 54 P 0.16620299657227 0.43597154353769 0.95830993404418 30.974 > 53 55 P 0.00000000000000 0.56789551949752 0.37500000000000 30.974 > 55 56 P 0.00000000000000 0.56789551949752 0.87500000000000 30.974 > 55 57 P 0.74545727369805 0.31216775092302 0.37668111032652 30.974 > 57 58 P 0.74545727369805 0.31216775092302 0.87668111032652 30.974 > 57 59 P 0.25454272630196 0.31216775092302 0.37331888967348 30.974 > 59 60 P 0.25454272630196 0.31216775092302 0.87331888967348 30.974 > 59 61 P 0.91959123787853 0.18785998409901 0.46079526934931 30.974 > 61 62 P 0.91959123787853 0.18785998409901 0.96079526934931 30.974 > 61 63 P 0.00000000000000 0.05679461611013 0.37500000000000 30.974 > 63 64 P 0.00000000000000 0.05679461611013 0.87500000000000 30.974 > 63 65 P 0.50000000000000 0.44320538388987 0.12500000000000 30.974 > 33 66 P 0.50000000000000 0.44320538388987 0.62500000000000 30.974 > 33 67 P 0.24545727369804 0.18783224907698 0.12668111032652 30.974 > 35 68 P 0.24545727369804 0.18783224907698 0.62668111032652 30.974 > 35 69 P 0.75454272630195 0.18783224907698 0.12331888967348 30.974 > 37 70 P 0.75454272630195 0.18783224907698 0.62331888967348 30.974 > 37 71 P 0.50000000000000 0.93210448050248 0.12500000000000 30.974 > 39 72 P 0.50000000000000 0.93210448050248 0.62500000000000 30.974 > 39 73 P 0.41959123787853 0.31214001590099 0.21079526934931 30.974 > 41 74 P 0.41959123787853 0.31214001590099 0.71079526934931 30.974 > 41 75 P 0.66620299657227 0.06402845646231 0.20830993404418 30.974 > 43 76 P 0.66620299657227 0.06402845646231 0.70830993404418 30.974 > 43 77 P 0.33379700342773 0.93597154353769 0.29169006595582 30.974 > 45 78 P 0.33379700342773 0.93597154353769 0.79169006595582 30.974 > 45 79 P 0.58040876212147 0.68785998409901 0.28920473065069 30.974 > 47 80 P 0.58040876212147 0.68785998409901 0.78920473065069 30.974 > 47 81 P 0.33379700342773 0.06402845646231 0.04169006595582 30.974 > 49 82 P 0.33379700342773 0.06402845646231 0.54169006595582 30.974 > 49 83 P 0.58040876212147 0.31214001590099 0.03920473065069 30.974 > 51 84 P 0.58040876212147 0.31214001590099 0.53920473065069 30.974 > 51 85 P 0.66620299657227 0.93597154353769 0.45830993404418 30.974 > 53 86 P 0.66620299657227 0.93597154353769 0.95830993404418 30.974 > 53 87 P 0.50000000000000 0.06789551949752 0.37500000000000 30.974 > 55 88 P 0.50000000000000 0.06789551949752 0.87500000000000 30.974 > 55 89 P 0.24545727369804 0.81216775092302 0.37668111032652 30.974 > 57 90 P 0.24545727369804 0.81216775092302 0.87668111032652 30.974 > 57 91 P 0.75454272630195 0.81216775092302 0.37331888967348 30.974 > 59 92 P 0.75454272630195 0.81216775092302 0.87331888967348 30.974 > 59 93 P 0.41959123787853 0.68785998409901 0.46079526934931 30.974 > 61 94 P 0.41959123787853 0.68785998409901 0.96079526934931 30.974 > 61 95 P 0.50000000000000 0.55679461611013 0.37500000000000 30.974 > 63 96 P 0.50000000000000 0.55679461611013 0.87500000000000 30.974 > 63 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 10.4828088 0.0000000 -0.0000526 0.0000000 10.4290051 0.0000000 -0.0000516 0.0000000 10.1567763 -------------------------- Born effective charges -------------------------- 1 Be 0.6526856 -0.1994570 0.0050699 -0.1955847 0.6395745 -0.0214769 0.0477711 -0.0130185 0.6610325 2 Be 0.5039770 0.0056754 -0.0141142 -0.0037550 0.5173254 -0.0077465 0.0025269 0.0306932 0.7222552 3 Be 0.5039770 0.0056754 -0.0141142 -0.0037550 0.5173254 -0.0077465 0.0025269 0.0306932 0.7222552 4 Be 0.6526856 -0.1994570 0.0050699 -0.1955847 0.6395745 -0.0214769 0.0477711 -0.0130185 0.6610325 5 Be 0.5039770 -0.0056754 -0.0141142 0.0037550 0.5173254 0.0077465 0.0025269 -0.0306932 0.7222552 6 Be 0.6526856 0.1994570 0.0050699 0.1955847 0.6395745 0.0214769 0.0477711 0.0130185 0.6610325 7 Be 0.5039770 -0.0056754 -0.0141142 0.0037550 0.5173254 0.0077465 0.0025269 -0.0306932 0.7222552 8 Be 0.6526856 0.1994570 0.0050699 0.1955847 0.6395745 0.0214769 0.0477711 0.0130185 0.6610325 9 P -0.4098227 0.0000000 -0.3008134 0.0000000 -0.5026613 0.0000000 -0.3759486 -0.0000000 -0.2337912 10 P -0.3926251 0.1346285 -0.0208506 0.1362883 -0.3144597 0.2859697 0.0280281 0.3587558 -0.2911983 11 P -0.3926251 -0.1346285 -0.0208506 -0.1362883 -0.3144597 -0.2859697 0.0280281 -0.3587558 -0.2911983 12 P -0.2515038 0.0000000 0.2570239 0.0000000 -0.3050274 0.0000000 0.3345369 -0.0000000 -0.3402758 13 P -0.1666512 0.2832483 0.1091377 0.2953973 -0.1472327 -0.0648841 -0.0931071 0.0149473 -0.4571213 14 P -0.2667230 0.4887279 -0.0573480 0.4902231 -0.2913632 0.1137333 0.0354868 -0.0819917 -0.3479346 15 P -0.2667230 0.4887279 -0.0573480 0.4902231 -0.2913632 0.1137333 0.0354868 -0.0819917 -0.3479346 16 P -0.1666512 0.2832483 0.1091377 0.2953973 -0.1472327 -0.0648841 -0.0931071 0.0149473 -0.4571213 17 P -0.2667230 -0.4887279 -0.0573480 -0.4902231 -0.2913632 -0.1137333 0.0354868 0.0819917 -0.3479346 18 P -0.1666512 -0.2832483 0.1091377 -0.2953973 -0.1472327 0.0648841 -0.0931071 -0.0149473 -0.4571213 19 P -0.2667230 -0.4887279 -0.0573480 -0.4902231 -0.2913632 -0.1137333 0.0354868 0.0819917 -0.3479346 20 P -0.2515038 0.0000000 0.2570239 0.0000000 -0.3050274 0.0000000 0.3345369 -0.0000000 -0.3402758 21 P -0.3926251 -0.1346285 -0.0208506 -0.1362883 -0.3144597 -0.2859697 0.0280281 -0.3587558 -0.2911983 22 P -0.3926251 0.1346285 -0.0208506 0.1362883 -0.3144597 0.2859697 0.0280281 0.3587558 -0.2911983 23 P -0.1666512 -0.2832483 0.1091377 -0.2953973 -0.1472327 0.0648841 -0.0931071 -0.0149473 -0.4571213 24 P -0.4098227 0.0000000 -0.3008134 0.0000000 -0.5026613 0.0000000 -0.3759486 -0.0000000 -0.2337912 ---------------------------------------------------------------------------- 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] [-0.0032 0.0000 0.0095] [ 0.0032 0.0000 -0.0095] Computing fc3[ 3, 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] [-0.0032 0.0000 0.0095] [ 0.0032 0.0000 -0.0095] Computing fc3[ 33, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0032 0.0000 0.0095] [ 0.0032 0.0000 -0.0095] Computing fc3[ 35, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0032 0.0000 0.0095] [ 0.0032 0.0000 -0.0095] Computing fc3[ 39, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0032 0.0000 0.0095] [ 0.0032 0.0000 -0.0095] Computing fc3[ 41, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0032 0.0000 0.0095] [ 0.0032 0.0000 -0.0095] Computing fc3[ 43, 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] [-0.0032 0.0000 0.0095] [ 0.0032 0.0000 -0.0095] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000001 (xxx) -0.00000001 (xxx) -0.00000001 (xxx) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000001 (zx) 0.00000001 (zx) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 06:00:44]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 06:00:45]------------------------- 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 1 2] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/c (15) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 4.993847595000561 -4.993604094999999 0.000000000000000 b 4.993847595000561 4.993604094999999 0.000000000000000 c -2.489346503161027 0.000000000000000 7.473575811404778 Atomic positions (fractional): 1 Be 0.89023761639812 0.76924490003869 0.57327133640224 9.012 2 Be 0.39715595707270 0.77021413090663 0.57693609554613 9.012 3 Be 0.60284404292730 0.22978586909337 0.42306390445387 9.012 4 Be 0.10976238360188 0.23075509996131 0.42672866359776 9.012 5 Be 0.77021413090663 0.39715595707270 0.07693609554613 9.012 6 Be 0.76924490003869 0.89023761639812 0.07327133640224 9.012 7 Be 0.22978586909337 0.60284404292730 0.92306390445387 9.012 8 Be 0.23075509996131 0.10976238360188 0.92672866359776 9.012 9 P 0.05679461611013 0.94320538388987 0.25000000000000 30.974 10 P 0.05762502462107 0.43328952277502 0.25336222065304 30.974 11 P 0.56671047722498 0.94237497537893 0.24663777934696 30.974 12 P 0.56789551949752 0.43210448050248 0.25000000000000 30.974 13 P 0.10745122197754 0.73173125377952 0.42159053869863 30.974 14 P 0.60217454010996 0.73023145303458 0.41661986808837 30.974 15 P 0.39782545989004 0.26976854696542 0.58338013191163 30.974 16 P 0.89254877802246 0.26826874622048 0.57840946130137 30.974 17 P 0.26976854696542 0.39782545989004 0.08338013191163 30.974 18 P 0.26826874622048 0.89254877802246 0.07840946130137 30.974 19 P 0.73023145303458 0.60217454010996 0.91661986808837 30.974 20 P 0.43210448050248 0.56789551949752 0.75000000000000 30.974 21 P 0.43328952277502 0.05762502462107 0.75336222065304 30.974 22 P 0.94237497537893 0.56671047722498 0.74663777934696 30.974 23 P 0.73173125377952 0.10745122197754 0.92159053869863 30.974 24 P 0.94320538388987 0.05679461611013 0.75000000000000 30.974 -------------------------------- supercell --------------------------------- Lattice vectors: a 9.987695190001123 0.000000000000000 0.000000000000000 b 0.000000000000000 9.987208189999999 0.000000000000000 c -4.978693006322054 0.000000000000000 14.947151622809557 Atomic positions (fractional): 1 Be 0.32974125821840 0.43950364182029 0.28663566820112 9.012 > 1 2 Be 0.32974125821840 0.43950364182029 0.78663566820112 9.012 > 1 3 Be 0.08368504398966 0.68652908691696 0.28846804777307 9.012 > 3 4 Be 0.08368504398966 0.68652908691696 0.78846804777307 9.012 > 3 5 Be 0.91631495601034 0.31347091308304 0.21153195222693 9.012 > 5 6 Be 0.91631495601034 0.31347091308304 0.71153195222693 9.012 > 5 7 Be 0.67025874178159 0.56049635817971 0.21336433179888 9.012 > 7 8 Be 0.67025874178159 0.56049635817971 0.71336433179888 9.012 > 7 9 Be 0.08368504398966 0.31347091308304 0.03846804777306 9.012 > 9 10 Be 0.08368504398966 0.31347091308304 0.53846804777307 9.012 > 9 11 Be 0.32974125821840 0.56049635817971 0.03663566820112 9.012 > 11 12 Be 0.32974125821840 0.56049635817971 0.53663566820112 9.012 > 11 13 Be 0.91631495601034 0.68652908691696 0.46153195222693 9.012 > 13 14 Be 0.91631495601034 0.68652908691696 0.96153195222693 9.012 > 13 15 Be 0.67025874178159 0.43950364182029 0.46336433179888 9.012 > 15 16 Be 0.67025874178159 0.43950364182029 0.96336433179888 9.012 > 15 17 Be 0.82974125821841 0.93950364182029 0.28663566820112 9.012 > 1 18 Be 0.82974125821841 0.93950364182029 0.78663566820112 9.012 > 1 19 Be 0.58368504398966 0.18652908691696 0.28846804777307 9.012 > 3 20 Be 0.58368504398966 0.18652908691696 0.78846804777307 9.012 > 3 21 Be 0.41631495601034 0.81347091308304 0.21153195222693 9.012 > 5 22 Be 0.41631495601034 0.81347091308304 0.71153195222693 9.012 > 5 23 Be 0.17025874178160 0.06049635817971 0.21336433179888 9.012 > 7 24 Be 0.17025874178160 0.06049635817971 0.71336433179888 9.012 > 7 25 Be 0.58368504398966 0.81347091308304 0.03846804777306 9.012 > 9 26 Be 0.58368504398966 0.81347091308304 0.53846804777307 9.012 > 9 27 Be 0.82974125821841 0.06049635817971 0.03663566820112 9.012 > 11 28 Be 0.82974125821841 0.06049635817971 0.53663566820112 9.012 > 11 29 Be 0.41631495601034 0.18652908691696 0.46153195222693 9.012 > 13 30 Be 0.41631495601034 0.18652908691696 0.96153195222693 9.012 > 13 31 Be 0.17025874178160 0.93950364182029 0.46336433179888 9.012 > 15 32 Be 0.17025874178160 0.93950364182029 0.96336433179888 9.012 > 15 33 P 0.00000000000000 0.94320538388987 0.12500000000000 30.974 > 33 34 P 0.00000000000000 0.94320538388987 0.62500000000000 30.974 > 33 35 P 0.74545727369805 0.68783224907698 0.12668111032652 30.974 > 35 36 P 0.74545727369805 0.68783224907698 0.62668111032652 30.974 > 35 37 P 0.25454272630196 0.68783224907698 0.12331888967348 30.974 > 37 38 P 0.25454272630196 0.68783224907698 0.62331888967348 30.974 > 37 39 P 0.00000000000000 0.43210448050248 0.12500000000000 30.974 > 39 40 P 0.00000000000000 0.43210448050248 0.62500000000000 30.974 > 39 41 P 0.91959123787853 0.81214001590099 0.21079526934931 30.974 > 41 42 P 0.91959123787853 0.81214001590099 0.71079526934931 30.974 > 41 43 P 0.16620299657227 0.56402845646231 0.20830993404418 30.974 > 43 44 P 0.16620299657227 0.56402845646231 0.70830993404418 30.974 > 43 45 P 0.83379700342773 0.43597154353769 0.29169006595582 30.974 > 45 46 P 0.83379700342773 0.43597154353769 0.79169006595582 30.974 > 45 47 P 0.08040876212147 0.18785998409901 0.28920473065069 30.974 > 47 48 P 0.08040876212147 0.18785998409901 0.78920473065069 30.974 > 47 49 P 0.83379700342773 0.56402845646231 0.04169006595582 30.974 > 49 50 P 0.83379700342773 0.56402845646231 0.54169006595582 30.974 > 49 51 P 0.08040876212147 0.81214001590099 0.03920473065069 30.974 > 51 52 P 0.08040876212147 0.81214001590099 0.53920473065069 30.974 > 51 53 P 0.16620299657227 0.43597154353769 0.45830993404418 30.974 > 53 54 P 0.16620299657227 0.43597154353769 0.95830993404418 30.974 > 53 55 P 0.00000000000000 0.56789551949752 0.37500000000000 30.974 > 55 56 P 0.00000000000000 0.56789551949752 0.87500000000000 30.974 > 55 57 P 0.74545727369805 0.31216775092302 0.37668111032652 30.974 > 57 58 P 0.74545727369805 0.31216775092302 0.87668111032652 30.974 > 57 59 P 0.25454272630196 0.31216775092302 0.37331888967348 30.974 > 59 60 P 0.25454272630196 0.31216775092302 0.87331888967348 30.974 > 59 61 P 0.91959123787853 0.18785998409901 0.46079526934931 30.974 > 61 62 P 0.91959123787853 0.18785998409901 0.96079526934931 30.974 > 61 63 P 0.00000000000000 0.05679461611013 0.37500000000000 30.974 > 63 64 P 0.00000000000000 0.05679461611013 0.87500000000000 30.974 > 63 65 P 0.50000000000000 0.44320538388987 0.12500000000000 30.974 > 33 66 P 0.50000000000000 0.44320538388987 0.62500000000000 30.974 > 33 67 P 0.24545727369804 0.18783224907698 0.12668111032652 30.974 > 35 68 P 0.24545727369804 0.18783224907698 0.62668111032652 30.974 > 35 69 P 0.75454272630195 0.18783224907698 0.12331888967348 30.974 > 37 70 P 0.75454272630195 0.18783224907698 0.62331888967348 30.974 > 37 71 P 0.50000000000000 0.93210448050248 0.12500000000000 30.974 > 39 72 P 0.50000000000000 0.93210448050248 0.62500000000000 30.974 > 39 73 P 0.41959123787853 0.31214001590099 0.21079526934931 30.974 > 41 74 P 0.41959123787853 0.31214001590099 0.71079526934931 30.974 > 41 75 P 0.66620299657227 0.06402845646231 0.20830993404418 30.974 > 43 76 P 0.66620299657227 0.06402845646231 0.70830993404418 30.974 > 43 77 P 0.33379700342773 0.93597154353769 0.29169006595582 30.974 > 45 78 P 0.33379700342773 0.93597154353769 0.79169006595582 30.974 > 45 79 P 0.58040876212147 0.68785998409901 0.28920473065069 30.974 > 47 80 P 0.58040876212147 0.68785998409901 0.78920473065069 30.974 > 47 81 P 0.33379700342773 0.06402845646231 0.04169006595582 30.974 > 49 82 P 0.33379700342773 0.06402845646231 0.54169006595582 30.974 > 49 83 P 0.58040876212147 0.31214001590099 0.03920473065069 30.974 > 51 84 P 0.58040876212147 0.31214001590099 0.53920473065069 30.974 > 51 85 P 0.66620299657227 0.93597154353769 0.45830993404418 30.974 > 53 86 P 0.66620299657227 0.93597154353769 0.95830993404418 30.974 > 53 87 P 0.50000000000000 0.06789551949752 0.37500000000000 30.974 > 55 88 P 0.50000000000000 0.06789551949752 0.87500000000000 30.974 > 55 89 P 0.24545727369804 0.81216775092302 0.37668111032652 30.974 > 57 90 P 0.24545727369804 0.81216775092302 0.87668111032652 30.974 > 57 91 P 0.75454272630195 0.81216775092302 0.37331888967348 30.974 > 59 92 P 0.75454272630195 0.81216775092302 0.87331888967348 30.974 > 59 93 P 0.41959123787853 0.68785998409901 0.46079526934931 30.974 > 61 94 P 0.41959123787853 0.68785998409901 0.96079526934931 30.974 > 61 95 P 0.50000000000000 0.55679461611013 0.37500000000000 30.974 > 63 96 P 0.50000000000000 0.55679461611013 0.87500000000000 30.974 > 63 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 10.4828088 0.0000000 -0.0000526 0.0000000 10.4290051 0.0000000 -0.0000516 0.0000000 10.1567763 -------------------------- Born effective charges -------------------------- 1 Be 0.6526856 -0.1994570 0.0050699 -0.1955847 0.6395745 -0.0214769 0.0477711 -0.0130185 0.6610325 2 Be 0.5039770 0.0056754 -0.0141142 -0.0037550 0.5173254 -0.0077465 0.0025269 0.0306932 0.7222552 3 Be 0.5039770 0.0056754 -0.0141142 -0.0037550 0.5173254 -0.0077465 0.0025269 0.0306932 0.7222552 4 Be 0.6526856 -0.1994570 0.0050699 -0.1955847 0.6395745 -0.0214769 0.0477711 -0.0130185 0.6610325 5 Be 0.5039770 -0.0056754 -0.0141142 0.0037550 0.5173254 0.0077465 0.0025269 -0.0306932 0.7222552 6 Be 0.6526856 0.1994570 0.0050699 0.1955847 0.6395745 0.0214769 0.0477711 0.0130185 0.6610325 7 Be 0.5039770 -0.0056754 -0.0141142 0.0037550 0.5173254 0.0077465 0.0025269 -0.0306932 0.7222552 8 Be 0.6526856 0.1994570 0.0050699 0.1955847 0.6395745 0.0214769 0.0477711 0.0130185 0.6610325 9 P -0.4098227 0.0000000 -0.3008134 0.0000000 -0.5026613 0.0000000 -0.3759486 -0.0000000 -0.2337912 10 P -0.3926251 0.1346285 -0.0208506 0.1362883 -0.3144597 0.2859697 0.0280281 0.3587558 -0.2911983 11 P -0.3926251 -0.1346285 -0.0208506 -0.1362883 -0.3144597 -0.2859697 0.0280281 -0.3587558 -0.2911983 12 P -0.2515038 0.0000000 0.2570239 0.0000000 -0.3050274 0.0000000 0.3345369 -0.0000000 -0.3402758 13 P -0.1666512 0.2832483 0.1091377 0.2953973 -0.1472327 -0.0648841 -0.0931071 0.0149473 -0.4571213 14 P -0.2667230 0.4887279 -0.0573480 0.4902231 -0.2913632 0.1137333 0.0354868 -0.0819917 -0.3479346 15 P -0.2667230 0.4887279 -0.0573480 0.4902231 -0.2913632 0.1137333 0.0354868 -0.0819917 -0.3479346 16 P -0.1666512 0.2832483 0.1091377 0.2953973 -0.1472327 -0.0648841 -0.0931071 0.0149473 -0.4571213 17 P -0.2667230 -0.4887279 -0.0573480 -0.4902231 -0.2913632 -0.1137333 0.0354868 0.0819917 -0.3479346 18 P -0.1666512 -0.2832483 0.1091377 -0.2953973 -0.1472327 0.0648841 -0.0931071 -0.0149473 -0.4571213 19 P -0.2667230 -0.4887279 -0.0573480 -0.4902231 -0.2913632 -0.1137333 0.0354868 0.0819917 -0.3479346 20 P -0.2515038 0.0000000 0.2570239 0.0000000 -0.3050274 0.0000000 0.3345369 -0.0000000 -0.3402758 21 P -0.3926251 -0.1346285 -0.0208506 -0.1362883 -0.3144597 -0.2859697 0.0280281 -0.3587558 -0.2911983 22 P -0.3926251 0.1346285 -0.0208506 0.1362883 -0.3144597 0.2859697 0.0280281 0.3587558 -0.2911983 23 P -0.1666512 -0.2832483 0.1091377 -0.2953973 -0.1472327 0.0648841 -0.0931071 -0.0149473 -0.4571213 24 P -0.4098227 0.0000000 -0.3008134 0.0000000 -0.5026613 0.0000000 -0.3759486 -0.0000000 -0.2337912 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000001 (xxx) -0.00000001 (xxx) -0.00000001 (xxx) Max drift of fc2: -0.00000000 (xx) -0.00000000 (xx) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 7 7 7 ] 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: 0.58, Number of G-points: 295, Lambda: 0.19 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/100) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 100 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 3.677 ( 0.000 0.000 0.000) 0.000 3.852 ( 0.000 0.000 0.000) 0.000 3.930 ( 0.000 0.000 0.000) 0.000 4.061 ( 0.000 0.000 0.000) 0.000 4.205 ( 0.000 0.000 0.000) 0.000 4.685 ( 0.000 0.000 0.000) 0.000 4.846 ( 0.000 0.000 0.000) 0.000 4.875 ( 0.000 0.000 0.000) 0.000 5.108 ( 0.000 0.000 0.000) 0.000 5.133 ( 0.000 0.000 0.000) 0.000 5.303 ( 0.000 0.000 0.000) 0.000 5.322 ( 0.000 0.000 0.000) 0.000 5.724 ( 0.000 0.000 0.000) 0.000 5.822 ( 0.000 0.000 0.000) 0.000 6.084 ( 0.000 0.000 0.000) 0.000 6.329 ( 0.000 0.000 0.000) 0.000 6.366 ( 0.000 0.000 0.000) 0.000 6.414 ( 0.000 0.000 0.000) 0.000 7.371 ( 0.000 0.000 0.000) 0.000 7.450 ( 0.000 0.000 0.000) 0.000 7.460 ( 0.000 0.000 0.000) 0.000 7.540 ( 0.000 0.000 0.000) 0.000 8.872 ( 0.000 0.000 0.000) 0.000 9.219 ( 0.000 0.000 0.000) 0.000 9.521 ( 0.000 0.000 0.000) 0.000 10.501 ( 0.000 0.000 0.000) 0.000 10.919 ( 0.000 0.000 0.000) 0.000 11.013 ( 0.000 0.000 0.000) 0.000 11.330 ( 0.000 0.000 0.000) 0.000 11.994 ( 0.000 0.000 0.000) 0.000 12.023 ( 0.000 0.000 0.000) 0.000 12.251 ( 0.000 0.000 0.000) 0.000 12.691 ( 0.000 0.000 0.000) 0.000 12.693 ( 0.000 0.000 0.000) 0.000 12.804 ( 0.000 0.000 0.000) 0.000 13.085 ( 0.000 0.000 0.000) 0.000 13.332 ( 0.000 0.000 0.000) 0.000 13.365 ( 0.000 0.000 0.000) 0.000 13.767 ( 0.000 0.000 0.000) 0.000 13.806 ( 0.000 0.000 0.000) 0.000 13.902 ( 0.000 0.000 0.000) 0.000 13.908 ( 0.000 0.000 0.000) 0.000 13.958 ( 0.000 0.000 0.000) 0.000 13.997 ( 0.000 0.000 0.000) 0.000 14.432 ( 0.000 0.000 0.000) 0.000 16.850 ( 0.000 0.000 0.000) 0.000 16.878 ( 0.000 0.000 0.000) 0.000 16.987 ( 0.000 0.000 0.000) 0.000 17.010 ( 0.000 0.000 0.000) 0.000 17.085 ( 0.000 0.000 0.000) 0.000 17.139 ( 0.000 0.000 0.000) 0.000 17.146 ( 0.000 0.000 0.000) 0.000 17.164 ( 0.000 0.000 0.000) 0.000 18.065 ( 0.000 0.000 0.000) 0.000 18.074 ( 0.000 0.000 0.000) 0.000 18.161 ( 0.000 0.000 0.000) 0.000 18.177 ( 0.000 0.000 0.000) 0.000 18.439 ( 0.000 0.000 0.000) 0.000 18.550 ( 0.000 0.000 0.000) 0.000 18.698 ( 0.000 0.000 0.000) 0.000 18.775 ( 0.000 0.000 0.000) 0.000 19.348 ( 0.000 0.000 0.000) 0.000 19.507 ( 0.000 0.000 0.000) 0.000 19.542 ( 0.000 0.000 0.000) 0.000 19.743 ( 0.000 0.000 0.000) 0.000 20.121 ( 0.000 0.000 0.000) 0.000 20.156 ( 0.000 0.000 0.000) 0.000 20.233 ( 0.000 0.000 0.000) 0.000 20.236 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/100) ======================= q-point: ( 0.14 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.000 ( 32.875 -29.650 17.981) 47.783 1.100 ( 37.421 -37.208 5.714) 53.079 1.807 ( 57.519 -58.420 23.845) 85.381 3.784 ( 3.154 -6.732 2.135) 7.734 4.030 ( 10.778 -4.873 8.373) 14.492 4.046 ( 11.278 -2.805 13.525) 17.832 4.229 ( 1.886 -2.210 4.045) 4.980 4.263 ( 11.049 -11.145 0.747) 15.712 4.699 ( 3.696 -0.296 -0.409) 3.731 4.899 ( 4.364 -5.525 -8.935) 11.376 4.975 ( 0.347 -4.827 -1.083) 4.959 5.196 ( 9.659 -7.208 -4.372) 12.821 5.292 ( 3.206 5.581 1.021) 6.517 5.316 ( 4.367 -11.131 4.778) 12.877 5.492 ( 10.343 -9.483 10.127) 17.305 5.814 ( 3.046 -2.799 1.105) 4.282 5.854 ( 5.926 -0.482 2.592) 6.486 5.937 ( -0.425 0.235 3.243) 3.280 6.195 ( 15.206 12.170 -18.910) 27.147 6.488 ( 0.327 -3.862 5.774) 6.955 6.681 ( 2.221 -18.965 -5.417) 19.848 7.002 ( 0.870 22.009 -8.655) 23.666 7.293 ( 2.205 5.131 -3.419) 6.548 7.711 ( 0.577 -25.124 -24.562) 35.141 7.850 ( -5.981 -19.178 19.403) 27.929 8.771 ( -6.331 6.540 -4.858) 10.318 8.986 ( -13.356 11.401 -23.231) 29.121 9.372 ( -8.974 1.982 -7.646) 11.955 10.441 ( -6.972 2.531 2.498) 7.827 10.832 ( -11.137 6.031 9.651) 15.922 10.960 ( -1.616 9.083 6.059) 11.038 11.232 ( -7.211 7.202 4.774) 11.254 11.934 ( -3.251 5.465 -1.069) 6.448 12.072 ( 2.466 -3.514 5.373) 6.877 12.219 ( -3.281 5.583 5.877) 8.746 12.525 ( -8.527 11.199 2.754) 14.343 12.589 ( -2.973 9.637 -2.650) 10.428 12.779 ( -4.576 -0.130 1.159) 4.723 13.125 ( 1.730 -0.722 2.488) 3.115 13.173 ( 2.900 11.339 -1.046) 11.751 13.494 ( 0.069 -6.896 0.497) 6.914 13.752 ( -0.819 0.227 -0.238) 0.882 13.820 ( -0.015 -1.975 -0.469) 2.030 13.919 ( 1.586 -1.906 -1.008) 2.677 13.933 ( -0.389 -2.586 -0.743) 2.719 13.964 ( 1.668 1.095 -0.612) 2.087 14.032 ( 1.519 -2.334 -0.227) 2.794 14.368 ( -4.172 3.892 -1.635) 5.936 16.815 ( -0.337 2.727 -0.913) 2.895 16.888 ( -1.760 -2.150 -0.544) 2.832 16.966 ( 1.154 5.446 2.235) 5.999 17.032 ( 2.285 -0.337 1.764) 2.906 17.119 ( -1.959 -3.046 -0.628) 3.675 17.160 ( 0.826 -4.817 0.304) 4.897 17.173 ( 4.305 0.601 0.113) 4.349 17.253 ( 2.616 -4.658 0.059) 5.342 17.958 ( -5.867 5.346 -0.095) 7.938 18.018 ( -3.525 2.871 -0.174) 4.550 18.104 ( -4.009 4.147 0.132) 5.769 18.188 ( -0.497 1.315 0.431) 1.470 18.371 ( -4.185 2.928 -0.759) 5.164 18.554 ( 1.215 3.805 1.849) 4.401 18.643 ( -4.338 2.873 1.118) 5.322 18.728 ( -3.103 3.081 -0.501) 4.401 19.333 ( 0.352 4.677 0.996) 4.794 19.490 ( -2.488 1.821 -0.212) 3.091 19.544 ( 1.237 -2.083 -0.349) 2.448 19.767 ( -2.650 -4.623 -1.374) 5.503 20.132 ( 0.913 1.374 -0.073) 1.651 20.168 ( -2.046 0.343 -0.422) 2.117 20.214 ( -0.203 2.180 -0.605) 2.272 20.262 ( 0.381 -2.280 -0.926) 2.490 ======================= Grid point 2 (3/100) ======================= q-point: ( 0.29 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.941 ( 29.945 -27.257 15.780) 43.458 2.180 ( 37.045 -36.741 0.409) 52.176 3.502 ( 50.701 -51.797 24.492) 76.507 3.878 ( -5.306 4.149 2.658) 7.241 4.094 ( 0.791 2.684 0.614) 2.865 4.266 ( 9.563 -4.031 3.313) 10.894 4.440 ( 5.064 -4.240 28.779) 29.527 4.696 ( 12.149 -8.698 -5.101) 15.788 4.775 ( 3.845 -2.126 -5.213) 6.818 4.946 ( -0.766 4.676 -3.934) 6.158 5.052 ( -1.807 -0.061 8.093) 8.292 5.099 ( 0.456 0.321 6.689) 6.712 5.335 ( 7.893 -2.029 4.004) 9.080 5.702 ( 7.178 -14.974 3.827) 17.041 5.849 ( 10.020 -4.968 -4.335) 11.995 5.938 ( 14.641 -8.669 -0.291) 17.018 6.048 ( 6.120 -6.226 -5.294) 10.210 6.146 ( 8.872 -3.137 -7.483) 12.023 6.321 ( 22.990 -8.688 -4.047) 24.908 6.555 ( 10.733 3.427 6.521) 13.018 6.676 ( -0.091 11.970 -6.144) 13.454 6.963 ( -3.587 -16.479 6.663) 18.133 7.444 ( 9.553 -12.356 -26.981) 31.175 7.894 ( -8.981 -3.407 0.147) 9.606 7.958 ( -3.525 -18.025 -20.322) 27.391 8.305 ( -22.225 14.364 -12.734) 29.367 8.679 ( -0.183 -0.584 -17.052) 17.063 9.241 ( -5.715 -3.528 -1.186) 6.821 10.292 ( -10.171 2.865 6.978) 12.663 10.503 ( -20.687 13.933 6.170) 25.693 10.713 ( -9.522 18.631 10.819) 23.555 11.000 ( -9.026 10.931 4.966) 15.021 11.785 ( -3.206 7.256 1.464) 8.066 12.030 ( -8.460 10.279 3.875) 13.865 12.107 ( -8.516 3.633 5.370) 10.703 12.313 ( -2.460 6.630 -1.470) 7.223 12.360 ( 0.563 10.000 -2.740) 10.384 12.715 ( -4.642 0.358 3.542) 5.850 13.077 ( 4.022 6.714 1.999) 8.078 13.236 ( 5.103 -3.468 4.248) 7.491 13.559 ( -0.133 -2.399 0.706) 2.504 13.744 ( -0.426 -0.398 -0.118) 0.595 13.856 ( 0.870 -2.435 -1.628) 3.055 13.947 ( 1.136 0.851 -1.096) 1.793 13.972 ( -0.490 -2.340 0.213) 2.400 13.978 ( 0.879 -2.655 -1.912) 3.388 14.078 ( 1.271 -1.052 -0.467) 1.715 14.204 ( -6.363 5.936 -2.501) 9.054 16.777 ( 0.368 1.731 -0.826) 1.953 16.873 ( -1.625 0.343 -0.943) 1.909 16.930 ( 0.350 2.246 2.479) 3.363 17.081 ( 1.907 -0.524 1.667) 2.587 17.160 ( -0.318 -4.522 0.314) 4.544 17.230 ( 4.329 0.218 0.426) 4.356 17.246 ( 2.280 -2.530 0.251) 3.415 17.355 ( 1.727 -4.798 0.116) 5.101 17.811 ( -4.168 4.373 1.025) 6.128 17.905 ( -4.864 3.189 -0.601) 5.847 17.959 ( -5.032 5.927 0.104) 7.776 18.117 ( -3.223 3.624 -0.639) 4.892 18.269 ( -3.393 2.839 0.415) 4.443 18.456 ( -4.099 5.664 0.028) 6.992 18.526 ( -4.897 5.855 1.923) 7.872 18.628 ( -2.827 3.104 -0.672) 4.252 19.267 ( 0.261 4.915 0.323) 4.932 19.416 ( -2.845 1.859 -0.920) 3.520 19.625 ( 4.109 -3.130 0.388) 5.180 19.788 ( -3.649 -5.656 -2.465) 7.169 20.111 ( -2.362 -0.338 -0.527) 2.443 20.146 ( -0.379 1.136 -0.045) 1.198 20.168 ( 0.710 3.438 -0.199) 3.516 20.290 ( 0.072 -1.651 -0.639) 1.772 ======================= Grid point 3 (4/100) ======================= q-point: ( 0.43 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.766 ( 24.803 -23.023 11.831) 35.850 3.194 ( 34.928 -34.544 -7.641) 49.716 3.468 ( -18.911 18.046 -6.415) 26.915 4.064 ( -28.066 28.056 17.322) 43.300 4.212 ( 4.131 -3.164 3.757) 6.418 4.419 ( 3.807 -2.158 1.036) 4.497 4.739 ( 0.331 1.307 -5.440) 5.605 4.791 ( 0.561 0.091 -4.934) 4.967 4.922 ( 25.690 -24.206 19.503) 40.327 5.116 ( 20.653 -16.258 3.912) 26.574 5.145 ( -2.639 -2.421 6.731) 7.625 5.294 ( 8.003 -6.699 4.166) 11.238 5.509 ( 5.634 -3.591 -0.500) 6.700 5.743 ( -2.924 3.951 6.352) 8.032 5.950 ( 1.558 4.931 -15.980) 16.796 6.066 ( -4.239 -4.044 1.988) 6.186 6.185 ( 0.367 2.800 -3.057) 4.162 6.292 ( 4.254 -0.615 4.859) 6.487 6.532 ( 1.774 2.954 -8.939) 9.580 6.746 ( 8.336 -0.076 6.687) 10.687 6.878 ( 20.459 -10.902 0.475) 23.188 7.109 ( -5.901 -4.872 -5.758) 9.576 7.201 ( 0.607 1.019 -9.477) 9.551 7.704 ( -28.223 10.519 -11.646) 32.293 7.972 ( 3.724 -4.482 0.198) 5.831 8.101 ( -0.896 -7.596 -13.241) 15.292 8.909 ( 20.735 -20.044 -10.508) 30.694 9.331 ( 2.705 -6.320 4.393) 8.158 9.893 ( -24.277 21.763 6.394) 33.224 10.092 ( -12.470 8.854 4.345) 15.899 10.466 ( -2.260 3.793 5.808) 7.296 10.757 ( -5.175 7.663 0.575) 9.264 11.681 ( -1.370 3.677 1.847) 4.337 11.830 ( -3.889 3.859 1.092) 5.587 11.950 ( -4.149 1.191 1.436) 4.549 12.079 ( -3.996 8.849 -2.646) 10.063 12.385 ( 3.376 0.452 -1.121) 3.585 12.680 ( -2.158 -0.152 2.523) 3.323 13.072 ( 1.876 1.812 0.926) 2.768 13.398 ( 4.604 -3.668 4.456) 7.383 13.578 ( -0.055 -0.412 0.368) 0.555 13.747 ( -0.150 -0.437 0.127) 0.479 13.871 ( -0.784 1.165 -2.287) 2.684 13.918 ( -0.794 0.841 -1.536) 1.922 13.992 ( -1.027 -1.922 -0.136) 2.183 14.000 ( 0.121 0.387 -0.761) 0.862 14.064 ( -1.194 0.761 -1.121) 1.806 14.099 ( 0.146 0.420 0.612) 0.756 16.768 ( 0.587 0.359 -0.380) 0.786 16.842 ( -0.766 0.731 -0.064) 1.060 16.923 ( -0.124 0.299 0.685) 0.758 17.110 ( 0.718 -0.178 0.574) 0.936 17.220 ( 0.141 -2.785 0.479) 2.829 17.273 ( 2.314 1.064 0.140) 2.550 17.293 ( 0.645 -0.973 0.058) 1.169 17.425 ( 0.552 -2.182 0.003) 2.251 17.742 ( -0.569 1.247 1.483) 2.019 17.813 ( -2.663 0.670 -0.953) 2.907 17.827 ( -2.621 3.719 0.002) 4.550 18.026 ( -1.929 2.151 -0.504) 2.933 18.217 ( -0.439 0.586 0.297) 0.790 18.343 ( -2.690 2.292 -0.011) 3.534 18.387 ( -2.963 3.841 0.428) 4.870 18.562 ( -1.308 1.473 -0.088) 1.972 19.219 ( 0.191 2.084 0.222) 2.105 19.363 ( -1.121 0.707 -0.408) 1.387 19.726 ( 4.011 -1.069 0.752) 4.219 19.795 ( -3.032 -3.233 -1.765) 4.771 20.083 ( -4.648 -3.213 -0.811) 5.708 20.102 ( 2.811 5.069 0.213) 5.800 20.161 ( 0.465 0.270 0.258) 0.596 20.304 ( -0.047 -0.572 -0.227) 0.617 ======================= Grid point 8 (5/100) ======================= q-point: ( 0.14 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.540 ( 50.315 0.000 6.240) 50.701 1.722 ( 48.365 0.000 28.958) 56.371 2.474 ( 74.102 0.000 27.393) 79.003 3.871 ( 9.213 0.000 5.821) 10.898 4.203 ( 7.504 0.000 14.705) 16.509 4.361 ( 21.333 0.000 9.416) 23.319 4.398 ( 12.607 0.000 0.062) 12.607 4.409 ( 24.608 0.000 11.650) 27.227 4.763 ( 3.826 0.000 4.495) 5.903 4.992 ( 12.841 0.000 -13.599) 18.703 4.995 ( 9.952 0.000 -1.895) 10.131 5.309 ( 12.740 0.000 -5.066) 13.711 5.344 ( 13.426 0.000 -0.257) 13.429 5.563 ( 18.724 0.000 1.964) 18.827 5.598 ( 17.186 0.000 7.024) 18.566 5.756 ( -18.894 -0.000 10.916) 21.821 5.934 ( 5.382 0.000 6.511) 8.447 5.976 ( 11.835 0.000 -7.263) 13.886 6.403 ( 5.090 0.000 -14.518) 15.384 6.533 ( 12.527 0.000 7.507) 14.604 6.620 ( 18.831 0.000 -19.844) 27.357 7.154 ( -4.690 -0.000 -19.490) 20.046 7.305 ( -8.676 -0.000 -8.923) 12.446 7.366 ( 9.920 0.000 -22.324) 24.429 7.735 ( -2.867 -0.000 27.609) 27.757 8.675 ( -9.339 -0.000 -7.671) 12.086 8.743 ( -17.706 -0.000 -27.601) 32.792 9.056 ( -17.328 -0.000 -20.670) 26.973 10.330 ( -13.694 -0.000 6.103) 14.992 10.692 ( -20.605 -0.000 10.231) 23.005 11.022 ( -8.074 -0.000 11.727) 14.238 11.156 ( -14.686 -0.000 8.942) 17.194 12.000 ( -1.580 -0.000 4.615) 4.878 12.029 ( -1.778 -0.000 5.064) 5.367 12.207 ( -10.605 -0.000 8.136) 13.367 12.469 ( -13.631 -0.000 4.672) 14.409 12.549 ( -8.888 -0.000 -1.201) 8.969 12.675 ( -7.447 -0.000 -1.430) 7.583 13.152 ( 2.506 0.000 1.245) 2.798 13.346 ( 2.060 0.000 -5.429) 5.807 13.376 ( -1.274 -0.000 4.421) 4.601 13.721 ( -1.457 -0.000 -1.691) 2.232 13.827 ( 1.990 0.000 1.586) 2.545 13.889 ( -0.239 -0.000 -3.254) 3.262 13.952 ( 3.794 0.000 -1.200) 3.979 14.009 ( 0.150 0.000 0.109) 0.186 14.045 ( 4.990 0.000 -0.199) 4.994 14.297 ( -7.768 -0.000 -3.016) 8.333 16.814 ( -1.404 -0.000 -3.608) 3.871 16.855 ( -1.012 -0.000 1.653) 1.938 16.989 ( -5.228 -0.000 -2.022) 5.605 17.078 ( 2.729 0.000 4.847) 5.563 17.100 ( 3.480 0.000 2.056) 4.042 17.186 ( 5.486 0.000 2.620) 6.080 17.249 ( 2.520 0.000 -1.266) 2.820 17.254 ( 5.588 0.000 0.029) 5.588 17.876 ( -9.502 -0.000 0.515) 9.516 17.940 ( -7.366 -0.000 -0.306) 7.372 18.083 ( -6.076 -0.000 0.031) 6.076 18.151 ( -5.298 -0.000 0.252) 5.304 18.308 ( -6.399 -0.000 0.099) 6.400 18.566 ( -8.542 -0.000 0.889) 8.588 18.610 ( -0.831 -0.000 1.801) 1.984 18.664 ( -7.827 -0.000 -1.302) 7.935 19.374 ( 0.074 0.000 -0.826) 0.829 19.463 ( -2.842 -0.000 -5.179) 5.908 19.536 ( 1.779 0.000 3.200) 3.661 19.677 ( -3.505 -0.000 -0.477) 3.537 20.097 ( -5.872 -0.000 -0.788) 5.925 20.184 ( 2.123 0.000 1.759) 2.757 20.220 ( 0.419 0.000 -0.847) 0.945 20.271 ( 2.678 0.000 -1.375) 3.010 ======================= Grid point 9 (6/100) ======================= q-point: ( 0.29 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.397 ( 45.873 -16.885 2.935) 48.970 2.481 ( 44.472 2.609 23.980) 50.592 3.830 ( 53.427 -24.440 21.490) 62.559 4.002 ( 9.244 4.301 6.415) 12.046 4.287 ( 8.257 9.290 5.457) 13.574 4.464 ( 13.252 7.660 6.169) 16.503 4.700 ( 12.976 3.587 13.387) 18.986 4.837 ( 20.049 -1.219 -7.395) 21.404 4.906 ( 6.018 4.845 5.857) 9.695 5.060 ( 11.637 4.964 -12.990) 18.133 5.135 ( 6.850 -6.589 3.500) 10.129 5.223 ( -2.040 15.583 7.956) 17.615 5.566 ( 10.394 6.629 8.856) 15.180 5.721 ( 18.142 -9.936 -12.902) 24.379 5.783 ( 4.548 -3.326 0.716) 5.680 6.021 ( 16.894 -7.250 2.506) 18.554 6.121 ( 9.675 -3.016 -4.671) 11.159 6.261 ( 18.598 -10.817 0.267) 21.516 6.378 ( 8.001 -2.080 -11.462) 14.133 6.698 ( 6.976 2.185 -15.751) 17.364 6.810 ( 5.063 6.609 0.848) 8.368 6.982 ( 12.191 -1.538 4.974) 13.256 7.276 ( 8.603 -8.783 -24.347) 27.275 7.599 ( 9.183 -15.193 -19.414) 26.307 7.810 ( -5.280 -1.053 15.522) 16.430 8.162 ( -20.247 17.838 -13.143) 30.014 8.538 ( -1.376 -4.826 -18.773) 19.432 8.931 ( -9.561 -18.387 -7.880) 22.172 10.148 ( -16.867 -1.325 10.133) 19.722 10.343 ( -27.480 7.025 8.538) 29.622 10.773 ( -20.774 12.322 10.341) 26.274 10.942 ( -17.363 2.452 8.123) 19.326 11.874 ( -5.193 8.347 6.169) 11.606 12.003 ( -13.715 5.521 4.922) 15.582 12.025 ( -10.966 0.635 5.291) 12.192 12.267 ( -12.518 2.949 2.198) 13.047 12.400 ( -4.524 1.050 -2.535) 5.291 12.591 ( -7.485 -4.190 -0.329) 8.584 13.224 ( 0.321 7.573 -1.609) 7.749 13.228 ( 1.438 -4.802 3.407) 6.061 13.476 ( -0.859 -6.787 -1.636) 7.034 13.713 ( -0.298 -1.502 -2.012) 2.529 13.842 ( -0.292 0.303 -2.867) 2.898 13.901 ( 0.080 -2.430 -0.291) 2.448 14.000 ( 0.160 1.228 0.559) 1.358 14.012 ( 4.958 0.217 -0.611) 5.000 14.112 ( 3.313 1.211 -0.527) 3.567 14.147 ( -6.558 1.779 -1.882) 7.051 16.770 ( -1.640 -0.254 -4.138) 4.459 16.842 ( -1.900 1.081 0.710) 2.299 16.921 ( -3.622 -2.114 -0.412) 4.214 17.124 ( 2.468 1.882 3.458) 4.647 17.173 ( 3.910 -0.379 3.322) 5.144 17.265 ( 3.751 -0.259 0.326) 3.774 17.321 ( 4.077 -1.304 1.535) 4.547 17.326 ( 3.692 -1.439 -1.062) 4.102 17.749 ( -7.861 -0.260 1.699) 8.047 17.823 ( -7.698 0.049 -1.073) 7.772 17.946 ( -7.909 3.505 0.428) 8.661 18.055 ( -7.679 -0.228 -0.801) 7.724 18.215 ( -6.353 -0.345 0.904) 6.426 18.416 ( -9.516 2.056 1.090) 9.796 18.495 ( -9.357 2.882 -1.101) 9.852 18.573 ( -6.283 -0.564 -0.059) 6.309 19.322 ( -1.953 4.090 -1.121) 4.669 19.399 ( 0.084 1.394 -6.715) 6.859 19.595 ( -1.744 -5.823 -2.027) 6.408 19.700 ( 3.131 -2.329 6.101) 7.242 20.004 ( -7.569 -1.519 -0.319) 7.726 20.203 ( 2.558 2.519 0.978) 3.721 20.235 ( 2.163 1.451 0.414) 2.637 20.302 ( 2.830 0.416 -0.629) 2.929 ======================= Grid point 10 (7/100) ======================= q-point: ( 0.43 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.137 ( 34.411 -0.928 14.292) 37.272 3.300 ( 41.164 -19.874 -2.835) 45.799 3.648 ( -3.697 29.626 -3.433) 30.052 4.208 ( -21.582 31.280 8.748) 38.997 4.321 ( 6.720 3.676 -0.523) 7.678 4.579 ( 9.393 8.783 -0.864) 12.888 4.887 ( 10.481 9.924 -11.507) 18.459 4.925 ( 6.282 5.750 4.058) 9.434 5.139 ( 13.186 -1.257 -2.342) 13.451 5.171 ( 13.796 -2.577 11.160) 17.931 5.267 ( 23.978 -11.894 8.401) 28.054 5.392 ( 8.743 -5.437 3.161) 10.770 5.621 ( 8.005 7.423 -2.550) 11.211 5.828 ( 4.988 5.619 3.213) 8.172 5.907 ( -2.846 3.086 -8.281) 9.284 6.069 ( 0.781 -3.042 -2.801) 4.208 6.280 ( 5.252 8.999 -3.639) 11.037 6.338 ( 8.678 7.411 -7.251) 13.520 6.532 ( -0.663 1.787 -10.300) 10.475 6.713 ( -1.099 0.844 -10.893) 10.981 7.013 ( 15.660 -2.426 -1.956) 15.967 7.144 ( 9.201 0.339 0.778) 9.240 7.444 ( 18.729 -3.060 4.181) 19.433 7.480 ( -8.508 11.882 5.286) 15.540 7.919 ( 2.597 -3.674 -4.982) 6.713 8.032 ( 11.720 -11.098 0.740) 16.158 8.807 ( 18.360 -25.226 -12.911) 33.766 9.177 ( 1.170 -21.155 2.143) 21.296 9.793 ( -29.814 14.127 5.388) 33.429 9.947 ( -19.717 0.816 6.974) 20.930 10.379 ( -17.888 -0.183 7.887) 19.550 10.690 ( -15.708 1.267 4.144) 16.295 11.687 ( -9.767 3.416 4.496) 11.282 11.831 ( -3.751 2.966 2.247) 5.284 11.869 ( -7.421 -0.923 2.997) 8.056 12.040 ( -11.778 2.650 1.364) 12.149 12.351 ( -5.554 -2.023 -2.123) 6.281 12.580 ( -3.747 -6.053 -2.710) 7.617 13.112 ( -1.626 4.890 -2.502) 5.729 13.351 ( -2.055 -6.938 3.426) 8.006 13.520 ( -1.827 -3.542 -3.830) 5.527 13.723 ( -0.712 -1.975 -1.737) 2.725 13.791 ( -3.994 -2.404 -5.499) 7.209 13.919 ( 0.510 0.404 0.319) 0.724 13.987 ( -0.378 0.167 2.075) 2.116 14.049 ( 0.063 1.140 0.087) 1.145 14.075 ( 4.263 1.080 -0.092) 4.399 14.151 ( 3.105 2.749 1.090) 4.288 16.744 ( -1.444 -1.867 -4.144) 4.769 16.789 ( -3.910 -0.583 -0.421) 3.976 16.930 ( 0.124 -1.195 1.468) 1.897 17.128 ( 0.482 1.989 1.275) 2.412 17.235 ( 2.072 0.429 2.829) 3.533 17.306 ( 1.929 0.504 -1.459) 2.471 17.353 ( 2.525 2.794 2.054) 4.289 17.406 ( 2.052 -2.811 -0.724) 3.555 17.689 ( -5.198 -2.107 1.094) 5.714 17.736 ( -4.599 -2.627 -1.273) 5.447 17.816 ( -4.585 1.068 1.460) 4.929 17.958 ( -6.487 -2.173 -0.625) 6.869 18.164 ( -4.341 -2.836 0.466) 5.206 18.285 ( -6.804 -0.987 0.506) 6.894 18.342 ( -6.832 -0.006 -1.040) 6.911 18.497 ( -6.040 -2.570 -0.026) 6.564 19.227 ( -2.867 2.543 -1.648) 4.172 19.365 ( 1.932 0.797 -5.930) 6.287 19.638 ( -3.576 -6.375 -1.253) 7.416 19.823 ( 4.432 -0.474 6.105) 7.559 19.945 ( -4.969 -4.198 0.740) 6.547 20.202 ( 2.382 3.388 1.180) 4.307 20.230 ( 2.861 3.854 -0.774) 4.862 20.333 ( 2.782 1.202 1.085) 3.219 ======================= Grid point 11 (8/100) ======================= q-point: (-0.43 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.998 ( -4.449 40.030 -6.829) 40.852 3.316 ( -25.390 38.556 3.028) 46.264 3.703 ( 24.085 -1.937 5.177) 24.712 4.117 ( 34.478 -14.220 -11.334) 38.979 4.288 ( 3.361 8.301 -4.762) 10.143 4.463 ( -2.878 9.372 -4.803) 10.917 4.823 ( -1.613 9.213 -8.341) 12.532 4.945 ( 1.917 12.716 -1.456) 12.942 5.004 ( 3.924 13.421 5.587) 15.057 5.104 ( -22.001 32.482 -8.080) 40.055 5.284 ( 7.896 10.447 -5.293) 14.125 5.404 ( 2.816 15.814 -3.470) 16.433 5.520 ( -5.604 4.724 -0.098) 7.330 5.783 ( 6.681 4.949 -5.617) 10.033 5.916 ( 1.323 1.157 13.067) 13.185 6.057 ( -5.505 -7.943 -9.771) 13.743 6.226 ( -5.317 6.139 -5.321) 9.709 6.329 ( 12.386 11.666 -4.005) 17.480 6.520 ( -0.954 3.914 4.180) 5.806 6.571 ( -8.145 4.603 -5.184) 10.696 6.823 ( -15.491 20.360 3.408) 25.810 7.274 ( 17.479 -13.004 13.665) 25.717 7.476 ( 12.356 12.060 8.748) 19.355 7.953 ( 0.535 -0.427 6.682) 6.717 8.033 ( 21.857 -7.487 8.068) 24.472 8.325 ( 12.777 0.211 10.354) 16.447 8.884 ( -22.581 13.769 8.053) 27.647 9.249 ( -10.008 -1.347 -4.739) 11.155 9.799 ( 19.441 -29.752 -9.417) 36.767 9.987 ( 7.113 -22.647 -3.368) 23.975 10.308 ( -9.932 -8.719 2.529) 13.456 10.608 ( -7.037 -13.005 2.745) 15.040 11.621 ( -2.853 -4.911 1.554) 5.888 11.816 ( 1.545 -3.137 0.049) 3.497 11.907 ( -0.768 -7.505 2.440) 7.929 11.965 ( -2.633 -9.019 2.971) 9.853 12.267 ( -8.989 -2.421 -1.737) 9.470 12.605 ( -2.672 -6.371 -5.633) 8.914 13.014 ( -3.663 1.796 -2.397) 4.732 13.298 ( -8.689 0.582 -5.899) 10.519 13.529 ( -1.457 -3.740 -1.526) 4.294 13.734 ( -0.312 -0.808 -1.030) 1.345 13.819 ( -0.657 -6.181 -0.037) 6.216 13.931 ( 1.156 -0.198 0.526) 1.285 14.007 ( 0.621 -0.926 1.536) 1.898 14.055 ( 1.652 -0.319 1.018) 1.966 14.106 ( 3.272 2.585 0.640) 4.219 14.141 ( 1.910 4.256 1.105) 4.794 16.731 ( -1.896 -1.583 -1.794) 3.053 16.766 ( -2.833 -4.086 -2.031) 5.371 16.959 ( 2.223 0.836 1.838) 3.003 17.100 ( -1.173 1.364 0.033) 1.799 17.229 ( -2.499 1.144 -0.017) 2.748 17.288 ( 1.217 3.512 -0.967) 3.840 17.348 ( 1.670 3.628 2.470) 4.696 17.448 ( 1.068 0.422 -1.097) 1.588 17.650 ( -4.513 -5.169 -1.527) 7.030 17.789 ( 0.691 -5.570 1.395) 5.784 17.801 ( 0.006 -3.452 0.211) 3.458 17.957 ( -2.486 -6.655 0.635) 7.133 18.159 ( -3.005 -4.286 -0.010) 5.235 18.299 ( -0.591 -5.924 0.405) 5.968 18.316 ( -1.142 -6.824 -1.508) 7.081 18.494 ( -2.992 -5.825 0.105) 6.550 19.169 ( -2.234 -1.046 -1.564) 2.920 19.380 ( 3.711 -0.631 -4.389) 5.782 19.637 ( -5.923 -2.587 1.448) 6.624 19.887 ( 1.130 -1.978 3.214) 3.940 19.988 ( 0.414 -2.577 1.446) 2.984 20.189 ( 2.123 3.395 1.830) 4.403 20.207 ( 2.277 3.734 -1.177) 4.529 20.352 ( 2.448 2.412 1.275) 3.666 ======================= Grid point 12 (9/100) ======================= q-point: (-0.29 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.281 ( -1.671 48.305 -5.930) 48.697 2.376 ( -19.224 45.965 -0.208) 49.824 3.692 ( -27.073 65.850 -11.034) 72.047 3.977 ( 10.132 2.360 -6.304) 12.164 4.153 ( -4.803 8.745 3.208) 10.481 4.271 ( 1.387 8.768 -3.221) 9.443 4.489 ( 5.171 18.142 -17.869) 25.984 4.774 ( 3.706 6.742 -0.811) 7.736 4.800 ( -5.743 5.106 1.708) 7.872 4.973 ( 10.852 2.617 -7.103) 13.232 5.236 ( 5.730 10.539 -3.510) 12.499 5.244 ( 2.930 16.700 8.182) 18.826 5.364 ( 3.204 5.565 6.103) 8.859 5.724 ( -12.107 5.267 -6.410) 14.676 5.789 ( -4.984 10.660 -1.525) 11.866 5.923 ( -1.179 11.015 -3.284) 11.554 6.116 ( -15.978 8.318 -0.200) 18.014 6.150 ( 2.700 5.523 2.021) 6.471 6.246 ( -8.685 20.551 10.848) 24.809 6.396 ( -10.126 3.171 0.050) 10.611 6.474 ( -4.490 -5.613 -4.059) 8.255 7.314 ( 7.545 22.102 -10.031) 25.417 7.595 ( -13.101 14.919 23.597) 30.839 8.044 ( 15.716 -9.440 4.091) 18.784 8.355 ( 3.002 15.632 14.418) 21.477 8.437 ( 11.014 -10.478 6.327) 16.466 8.741 ( 2.685 -2.950 14.041) 14.597 9.166 ( -4.480 -10.026 -12.209) 16.421 10.286 ( 4.646 -9.796 -3.300) 11.333 10.465 ( 2.653 -22.113 -2.707) 22.436 10.471 ( 13.402 -21.706 -3.456) 25.743 10.825 ( -0.407 -20.879 -0.987) 20.906 11.739 ( 3.497 -8.941 1.643) 9.740 11.952 ( 3.988 -8.885 -0.821) 9.773 12.094 ( 4.576 -8.866 -3.883) 10.706 12.159 ( -7.409 -7.900 0.000) 10.831 12.175 ( -0.970 -15.038 3.403) 15.449 12.648 ( -1.629 -8.223 -4.076) 9.321 12.944 ( -3.372 -1.484 -1.959) 4.172 13.159 ( -4.993 -0.247 -3.845) 6.306 13.548 ( -0.746 -1.594 -0.744) 1.910 13.734 ( -0.396 -0.689 -0.679) 1.045 13.862 ( -1.018 -1.041 1.134) 1.845 13.950 ( 0.817 0.244 0.502) 0.989 14.004 ( 0.055 2.402 0.487) 2.452 14.077 ( 1.788 5.229 0.278) 5.534 14.100 ( 0.078 3.125 0.262) 3.137 14.180 ( 2.904 -7.303 1.789) 8.060 16.734 ( -0.965 -2.642 -0.210) 2.821 16.795 ( -1.538 -5.513 -1.881) 6.024 16.979 ( 3.023 3.162 1.577) 4.650 17.062 ( -1.310 1.118 -0.649) 1.841 17.155 ( -4.266 0.558 -1.665) 4.613 17.241 ( 0.609 4.550 0.287) 4.599 17.314 ( 1.075 5.290 1.546) 5.616 17.403 ( -0.806 4.588 -0.911) 4.747 17.725 ( -0.143 -9.865 -0.782) 9.897 17.855 ( -0.292 -6.071 0.603) 6.107 17.948 ( 4.764 -7.538 -0.112) 8.917 18.048 ( -1.198 -7.774 0.742) 7.900 18.220 ( 0.201 -6.807 -0.309) 6.816 18.397 ( 0.735 -7.013 0.856) 7.103 18.456 ( 2.203 -9.657 -2.363) 10.183 18.567 ( -0.622 -7.466 0.521) 7.510 19.183 ( -0.897 -4.660 -0.810) 4.814 19.442 ( 4.812 -1.454 -2.694) 5.703 19.576 ( -6.005 -0.419 2.229) 6.419 19.928 ( 2.947 4.746 2.783) 6.242 20.026 ( -1.979 -6.103 -0.597) 6.443 20.183 ( 1.753 2.523 -1.125) 3.271 20.189 ( 1.017 1.426 1.951) 2.622 20.344 ( 1.418 3.197 0.763) 3.579 ======================= Grid point 13 (10/100) ======================= q-point: (-0.14 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.510 ( -0.000 51.268 -0.000) 51.268 1.547 ( -0.000 52.501 -0.000) 52.501 2.338 ( -0.000 79.758 -0.000) 79.758 3.960 ( -0.000 6.299 -0.000) 6.299 4.001 ( -0.000 4.912 -0.000) 4.912 4.025 ( -0.000 20.543 -0.000) 20.543 4.315 ( -0.000 7.897 -0.000) 7.897 4.428 ( -0.000 23.245 -0.000) 23.245 4.689 ( -0.000 3.072 -0.000) 3.072 5.108 ( -0.000 14.338 -0.000) 14.338 5.115 ( -0.000 11.223 -0.000) 11.223 5.191 ( 0.000 -3.640 0.000) 3.640 5.351 ( -0.000 8.829 -0.000) 8.829 5.362 ( -0.000 10.034 -0.000) 10.034 5.564 ( -0.000 14.600 -0.000) 14.600 5.822 ( -0.000 8.068 -0.000) 8.068 5.849 ( -0.000 2.500 -0.000) 2.500 5.914 ( -0.000 6.428 -0.000) 6.428 6.049 ( -0.000 3.678 -0.000) 3.678 6.431 ( 0.000 -8.171 0.000) 8.171 6.676 ( 0.000 -21.977 0.000) 21.977 7.019 ( -0.000 23.931 -0.000) 23.931 7.322 ( -0.000 11.108 -0.000) 11.108 8.088 ( -0.000 14.744 -0.000) 14.744 8.149 ( -0.000 22.112 -0.000) 22.112 8.705 ( 0.000 -10.856 0.000) 10.856 8.995 ( 0.000 -12.588 0.000) 12.588 9.275 ( 0.000 -14.713 0.000) 14.713 10.431 ( 0.000 -5.870 0.000) 5.870 10.734 ( 0.000 -13.727 0.000) 13.727 10.812 ( 0.000 -13.855 0.000) 13.855 11.104 ( 0.000 -15.985 0.000) 15.985 11.929 ( 0.000 -7.605 0.000) 7.605 12.007 ( -0.000 0.653 -0.000) 0.653 12.135 ( 0.000 -7.666 0.000) 7.666 12.398 ( 0.000 -15.721 0.000) 15.721 12.404 ( 0.000 -15.814 0.000) 15.814 12.754 ( 0.000 -7.159 0.000) 7.159 12.980 ( 0.000 -8.628 0.000) 8.628 13.125 ( 0.000 -0.001 0.000) 0.001 13.544 ( -0.000 1.260 -0.000) 1.260 13.742 ( 0.000 -1.104 0.000) 1.104 13.851 ( -0.000 1.510 -0.000) 1.510 13.943 ( -0.000 1.877 -0.000) 1.877 13.967 ( -0.000 2.252 -0.000) 2.252 14.004 ( -0.000 5.737 -0.000) 5.737 14.057 ( -0.000 2.760 -0.000) 2.760 14.320 ( 0.000 -7.293 0.000) 7.293 16.773 ( 0.000 -3.378 0.000) 3.378 16.863 ( 0.000 -6.132 0.000) 6.132 16.956 ( -0.000 3.874 -0.000) 3.874 17.026 ( -0.000 1.811 -0.000) 1.811 17.120 ( 0.000 -1.154 0.000) 1.154 17.183 ( -0.000 4.053 -0.000) 4.053 17.246 ( -0.000 5.726 -0.000) 5.726 17.311 ( -0.000 6.203 -0.000) 6.203 17.881 ( 0.000 -10.500 0.000) 10.500 17.949 ( 0.000 -6.517 0.000) 6.517 18.104 ( 0.000 -5.828 0.000) 5.828 18.121 ( 0.000 -4.944 0.000) 4.944 18.329 ( 0.000 -6.878 0.000) 6.878 18.483 ( 0.000 -4.261 0.000) 4.261 18.597 ( 0.000 -7.393 0.000) 7.393 18.676 ( 0.000 -6.821 0.000) 6.821 19.252 ( 0.000 -5.546 0.000) 5.546 19.514 ( 0.000 -0.218 0.000) 0.218 19.519 ( 0.000 -1.054 0.000) 1.054 19.867 ( -0.000 6.205 -0.000) 6.205 20.095 ( 0.000 -4.020 0.000) 4.020 20.182 ( 0.000 -0.787 0.000) 0.787 20.187 ( -0.000 0.135 -0.000) 0.135 20.309 ( -0.000 3.331 -0.000) 3.331 ======================= Grid point 16 (11/100) ======================= q-point: ( 0.29 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.956 ( 44.280 0.000 4.742) 44.533 3.247 ( 38.623 0.000 25.304) 46.174 4.180 ( 7.094 0.000 3.537) 7.927 4.335 ( 12.285 0.000 6.778) 14.030 4.672 ( 28.012 0.000 13.623) 31.149 4.856 ( 7.977 0.000 -6.127) 10.058 4.914 ( 30.563 0.000 11.824) 32.770 4.918 ( -0.292 -0.000 -0.465) 0.549 5.121 ( -4.219 -0.000 -10.065) 10.913 5.168 ( -1.082 -0.000 4.316) 4.450 5.213 ( 22.187 0.000 -3.362) 22.440 5.259 ( 0.158 0.000 -13.364) 13.365 5.654 ( 6.196 0.000 -8.833) 10.790 5.834 ( 13.544 0.000 5.941) 14.789 6.017 ( 11.139 0.000 -14.077) 17.952 6.148 ( 4.063 0.000 -5.111) 6.529 6.334 ( 25.877 0.000 16.582) 30.734 6.489 ( 11.304 0.000 0.034) 11.305 6.604 ( 23.203 0.000 -5.039) 23.744 6.707 ( 19.795 0.000 -10.803) 22.551 6.830 ( 3.454 0.000 -15.098) 15.488 7.249 ( 29.840 0.000 -6.966) 30.642 7.353 ( 23.522 0.000 -18.519) 29.937 7.691 ( 10.811 0.000 10.553) 15.108 7.852 ( 1.435 0.000 19.332) 19.385 8.037 ( -12.813 -0.000 -11.812) 17.427 8.398 ( -0.378 -0.000 -13.683) 13.688 8.546 ( -6.811 -0.000 -5.074) 8.493 9.901 ( -22.019 -0.000 12.138) 25.143 9.998 ( -33.329 -0.000 8.274) 34.340 10.583 ( -28.053 -0.000 6.997) 28.912 10.632 ( -28.037 -0.000 7.300) 28.972 11.786 ( -17.946 -0.000 7.870) 19.596 11.851 ( -15.906 -0.000 4.268) 16.468 11.921 ( -8.766 -0.000 2.300) 9.062 12.100 ( -13.962 -0.000 1.256) 14.019 12.284 ( -7.074 -0.000 -2.884) 7.640 12.468 ( -4.092 -0.000 0.444) 4.116 13.195 ( -1.546 -0.000 7.059) 7.227 13.302 ( -0.594 -0.000 -7.828) 7.850 13.370 ( 0.002 0.000 -2.772) 2.772 13.674 ( -3.034 -0.000 -6.504) 7.177 13.774 ( -3.607 -0.000 -4.704) 5.928 13.921 ( 1.948 0.000 2.389) 3.082 13.994 ( -2.743 -0.000 0.977) 2.912 14.065 ( -2.307 -0.000 -1.338) 2.668 14.097 ( 6.027 0.000 0.767) 6.076 14.195 ( 4.527 0.000 0.929) 4.622 16.707 ( -2.685 -0.000 -5.244) 5.891 16.800 ( -5.756 -0.000 -1.890) 6.058 16.885 ( 1.466 0.000 3.549) 3.840 17.214 ( 2.454 0.000 3.890) 4.599 17.217 ( 1.805 0.000 1.581) 2.399 17.298 ( 2.384 0.000 -1.220) 2.678 17.350 ( 3.403 0.000 -1.529) 3.731 17.401 ( 3.396 0.000 2.944) 4.494 17.650 ( -5.743 -0.000 3.243) 6.596 17.695 ( -8.275 -0.000 -2.612) 8.677 17.841 ( -9.416 -0.000 0.800) 9.450 17.922 ( -8.667 -0.000 -1.470) 8.791 18.114 ( -6.923 -0.000 1.251) 7.035 18.278 ( -11.765 -0.000 2.003) 11.934 18.345 ( -11.542 -0.000 -1.988) 11.712 18.452 ( -9.245 -0.000 -0.295) 9.250 19.297 ( -3.321 -0.000 -3.103) 4.545 19.419 ( 3.981 0.000 -7.885) 8.833 19.464 ( -4.831 -0.000 -3.275) 5.836 19.820 ( 7.770 0.000 10.503) 13.065 19.874 ( -8.679 -0.000 0.850) 8.720 20.259 ( 2.046 0.000 1.482) 2.526 20.291 ( 3.332 0.000 -0.331) 3.348 20.354 ( 3.880 0.000 0.259) 3.889 ======================= Grid point 17 (12/100) ======================= q-point: ( 0.43 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.605 ( 34.894 -2.966 3.310) 35.176 3.824 ( 31.476 2.743 15.715) 35.287 4.050 ( 1.884 25.645 -1.145) 25.740 4.364 ( -7.519 14.822 -0.083) 16.620 4.485 ( -1.987 15.357 -2.749) 15.727 4.783 ( -0.657 10.799 -9.566) 14.442 4.910 ( -5.801 -5.891 -0.683) 8.296 5.060 ( 0.369 -0.886 -11.208) 11.249 5.249 ( 0.907 -4.220 10.507) 11.359 5.288 ( 6.266 -0.461 -1.044) 6.369 5.422 ( 7.079 -0.187 -13.265) 15.037 5.550 ( 16.316 -7.073 -1.755) 17.870 5.852 ( 21.427 -4.332 7.114) 22.989 5.940 ( 9.969 10.754 3.203) 15.009 6.049 ( 0.619 1.531 -5.723) 5.957 6.074 ( 7.727 11.152 -5.704) 14.718 6.380 ( -3.611 3.907 -15.467) 16.356 6.734 ( 17.999 14.324 -14.493) 27.188 6.777 ( 27.298 9.692 9.962) 30.632 6.855 ( 19.118 9.750 -1.840) 21.539 7.284 ( 16.650 20.751 -10.729) 28.687 7.377 ( 17.734 0.858 9.454) 20.115 7.530 ( 4.235 10.998 2.852) 12.126 7.815 ( 14.050 -0.571 4.609) 14.798 7.996 ( 15.313 -10.450 8.115) 20.238 8.076 ( 10.774 -2.273 8.796) 14.093 8.615 ( 17.876 -26.653 -14.667) 35.286 8.810 ( 1.798 -31.690 1.460) 31.774 9.485 ( -34.349 4.246 4.954) 34.963 9.657 ( -25.848 -1.443 10.560) 27.959 10.063 ( -30.323 1.707 5.900) 30.939 10.343 ( -28.173 -9.041 3.494) 29.794 11.551 ( -13.635 1.497 2.775) 13.995 11.683 ( -13.202 -5.729 4.744) 15.154 11.807 ( -6.808 -1.247 0.902) 6.980 11.898 ( -10.753 1.512 0.375) 10.865 12.203 ( -6.400 -1.993 -1.567) 6.884 12.443 ( -3.427 -2.792 -1.074) 4.549 13.163 ( -1.583 7.599 -4.233) 8.841 13.246 ( -2.792 -3.338 4.784) 6.467 13.408 ( -1.813 -4.518 -6.433) 8.068 13.573 ( -6.381 -6.340 -6.925) 11.352 13.747 ( 0.593 0.047 -2.139) 2.220 13.938 ( 0.013 0.840 0.426) 0.942 13.972 ( -1.092 -1.298 1.971) 2.600 14.060 ( 0.840 0.127 0.103) 0.856 14.174 ( 4.956 1.404 1.249) 5.301 14.240 ( 2.965 1.981 0.859) 3.668 16.661 ( -2.100 -1.910 -4.702) 5.492 16.719 ( -4.504 -0.261 -0.672) 4.561 16.941 ( 2.482 -1.004 3.383) 4.315 17.184 ( 0.041 3.809 0.467) 3.838 17.264 ( -0.563 -0.236 0.347) 0.702 17.334 ( 1.966 -0.325 0.190) 2.002 17.384 ( 1.282 -1.690 -1.395) 2.539 17.431 ( 0.830 1.497 2.494) 3.025 17.572 ( -7.246 -1.148 -2.883) 7.883 17.642 ( -1.447 -3.055 2.695) 4.323 17.746 ( -4.850 -1.814 1.309) 5.341 17.812 ( -6.984 -2.146 -1.516) 7.462 18.053 ( -4.773 -2.347 0.962) 5.405 18.141 ( -9.100 -2.766 1.491) 9.627 18.204 ( -8.015 -2.264 -1.281) 8.426 18.342 ( -8.240 -3.552 -0.158) 8.974 19.214 ( -2.773 3.161 -2.176) 4.735 19.377 ( 1.502 0.547 -6.544) 6.736 19.498 ( -0.778 -5.855 -2.726) 6.505 19.775 ( -7.313 -2.332 1.989) 7.929 19.981 ( 6.774 -0.033 8.883) 11.171 20.283 ( 2.159 2.187 1.830) 3.576 20.306 ( 2.266 2.208 -2.631) 4.115 20.407 ( 3.557 1.156 1.689) 4.103 ======================= Grid point 18 (13/100) ======================= q-point: (-0.43 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.543 ( 0.560 37.774 -4.922) 38.098 3.589 ( -12.076 37.326 1.000) 39.244 4.034 ( 19.534 3.971 0.298) 19.936 4.395 ( 1.599 4.401 -3.539) 5.869 4.470 ( 6.627 6.164 -3.473) 9.694 4.551 ( 18.444 0.298 -1.748) 18.529 4.870 ( -1.908 3.000 -3.068) 4.696 4.959 ( -5.440 4.910 -2.363) 7.700 5.262 ( -13.837 0.490 0.720) 13.864 5.358 ( 10.742 10.405 3.178) 15.289 5.417 ( 1.452 0.900 1.021) 1.991 5.603 ( -5.601 41.831 -4.096) 42.402 5.743 ( 7.162 3.023 -2.250) 8.093 5.853 ( -2.363 1.695 -13.775) 14.079 5.878 ( -1.455 3.866 5.078) 6.546 6.122 ( 3.297 11.740 -7.102) 14.112 6.286 ( 4.217 10.486 2.824) 11.650 6.623 ( 6.287 17.438 -5.173) 19.245 6.747 ( 8.518 26.503 -5.269) 28.332 6.935 ( 11.869 27.111 7.153) 30.447 7.018 ( -5.449 27.063 2.709) 27.739 7.455 ( 28.042 -12.398 7.693) 31.610 7.828 ( 13.125 7.714 3.001) 15.517 7.980 ( 0.009 1.388 7.441) 7.569 8.176 ( 1.222 -4.370 4.006) 6.053 8.543 ( 18.547 -7.419 5.248) 20.654 8.755 ( -17.928 5.920 5.295) 19.609 9.001 ( -17.565 -1.026 -1.472) 17.656 9.539 ( 15.948 -34.263 -10.340) 39.182 9.647 ( 6.728 -34.109 -4.051) 35.002 9.951 ( -16.426 -19.876 11.137) 28.087 10.186 ( -20.626 -19.256 1.370) 28.251 11.457 ( -5.827 -7.398 0.470) 9.429 11.709 ( -4.234 -12.473 3.471) 13.622 11.804 ( -2.864 -6.339 -0.256) 6.960 11.820 ( -1.601 -4.813 1.797) 5.381 12.123 ( -4.796 1.029 -1.303) 5.075 12.432 ( -4.332 -5.509 -3.065) 7.649 13.023 ( -1.415 6.202 -2.449) 6.817 13.167 ( -6.525 1.530 -3.569) 7.593 13.446 ( -0.165 -5.295 -0.927) 5.378 13.653 ( -1.041 -10.601 -1.207) 10.720 13.747 ( 0.208 -0.672 -1.033) 1.250 13.938 ( 0.440 -0.608 -0.206) 0.778 13.993 ( -0.263 -1.565 1.302) 2.053 14.071 ( 0.665 0.071 0.470) 0.817 14.203 ( 2.901 3.163 0.842) 4.373 14.231 ( 1.134 3.748 0.477) 3.945 16.658 ( -0.768 -3.425 -3.706) 5.104 16.678 ( -2.909 -1.487 0.889) 3.385 17.007 ( 2.912 -0.635 2.303) 3.767 17.129 ( -0.398 3.529 0.759) 3.632 17.212 ( -2.766 2.592 -1.978) 4.276 17.351 ( 1.339 2.169 0.070) 2.550 17.414 ( 0.059 0.165 1.833) 1.842 17.442 ( 1.131 -2.655 -1.286) 3.159 17.505 ( -4.382 -2.562 -1.243) 5.226 17.711 ( -0.065 -6.461 1.366) 6.604 17.738 ( -1.849 -2.721 -0.448) 3.320 17.813 ( -2.097 -7.447 0.668) 7.765 18.042 ( -3.123 -4.630 0.611) 5.619 18.162 ( -1.330 -9.032 -1.201) 9.208 18.182 ( -3.421 -6.657 0.807) 7.528 18.337 ( -3.964 -7.955 -0.138) 8.889 19.135 ( -1.620 1.650 -1.140) 2.578 19.399 ( 3.936 -1.837 -5.546) 7.045 19.525 ( -4.276 -2.658 1.985) 5.412 19.776 ( -2.776 -7.190 0.716) 7.741 20.075 ( 3.680 2.450 4.628) 6.401 20.271 ( 0.824 3.538 1.761) 4.037 20.280 ( 1.533 3.321 -2.372) 4.359 20.429 ( 2.059 2.442 1.048) 3.362 ======================= Grid point 19 (14/100) ======================= q-point: (-0.29 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.887 ( -0.000 44.077 -0.000) 44.077 2.956 ( -0.000 45.039 -0.000) 45.039 4.133 ( -0.000 7.992 -0.000) 7.992 4.173 ( -0.000 7.053 -0.000) 7.053 4.406 ( -0.000 5.683 -0.000) 5.683 4.478 ( -0.000 62.538 -0.000) 62.538 4.739 ( -0.000 12.306 -0.000) 12.306 4.829 ( -0.000 5.467 -0.000) 5.467 5.007 ( 0.000 -1.254 0.000) 1.254 5.100 ( -0.000 13.865 -0.000) 13.865 5.332 ( -0.000 13.688 -0.000) 13.688 5.432 ( -0.000 0.261 -0.000) 0.261 5.629 ( -0.000 9.926 -0.000) 9.926 5.667 ( -0.000 12.668 -0.000) 12.668 5.983 ( 0.000 -7.623 0.000) 7.623 6.010 ( -0.000 10.863 -0.000) 10.863 6.078 ( -0.000 14.176 -0.000) 14.176 6.383 ( -0.000 13.587 -0.000) 13.587 6.448 ( -0.000 22.132 -0.000) 22.132 6.497 ( -0.000 22.448 -0.000) 22.448 6.647 ( -0.000 33.419 -0.000) 33.419 7.674 ( -0.000 21.104 -0.000) 21.104 7.752 ( -0.000 15.118 -0.000) 15.118 8.026 ( 0.000 -16.430 0.000) 16.430 8.315 ( 0.000 -15.144 0.000) 15.144 8.566 ( -0.000 5.803 -0.000) 5.803 8.808 ( 0.000 -1.811 0.000) 1.811 8.891 ( 0.000 -8.133 0.000) 8.133 10.112 ( 0.000 -18.424 0.000) 18.424 10.113 ( 0.000 -29.463 0.000) 29.463 10.248 ( 0.000 -23.064 0.000) 23.064 10.392 ( 0.000 -33.696 0.000) 33.696 11.581 ( 0.000 -13.655 0.000) 13.655 11.901 ( 0.000 -8.465 0.000) 8.465 11.915 ( 0.000 -16.241 0.000) 16.241 11.958 ( 0.000 -12.563 0.000) 12.563 12.044 ( -0.000 1.812 -0.000) 1.812 12.486 ( 0.000 -8.459 0.000) 8.459 12.933 ( -0.000 3.533 -0.000) 3.533 13.097 ( 0.000 -0.512 0.000) 0.512 13.506 ( 0.000 -3.374 0.000) 3.374 13.721 ( 0.000 -0.861 0.000) 0.861 13.807 ( 0.000 -6.052 0.000) 6.052 13.954 ( 0.000 -0.709 0.000) 0.709 14.018 ( 0.000 -0.896 0.000) 0.896 14.092 ( 0.000 -2.953 0.000) 2.953 14.172 ( -0.000 4.888 -0.000) 4.888 14.178 ( -0.000 3.743 -0.000) 3.743 16.687 ( 0.000 -2.420 0.000) 2.420 16.704 ( 0.000 -4.755 0.000) 4.755 17.051 ( 0.000 -0.728 0.000) 0.728 17.079 ( -0.000 4.105 -0.000) 4.105 17.131 ( -0.000 2.795 -0.000) 2.795 17.310 ( -0.000 4.186 -0.000) 4.186 17.396 ( -0.000 3.659 -0.000) 3.659 17.449 ( -0.000 2.696 -0.000) 2.696 17.567 ( 0.000 -10.208 0.000) 10.208 17.770 ( 0.000 -4.817 0.000) 4.817 17.852 ( 0.000 -10.332 0.000) 10.332 17.916 ( 0.000 -8.155 0.000) 8.155 18.110 ( 0.000 -7.236 0.000) 7.236 18.283 ( 0.000 -9.653 0.000) 9.653 18.309 ( 0.000 -11.151 0.000) 11.151 18.436 ( 0.000 -9.042 0.000) 9.042 19.122 ( 0.000 -1.966 0.000) 1.966 19.470 ( 0.000 -2.878 0.000) 2.878 19.497 ( 0.000 -0.477 0.000) 0.477 19.882 ( 0.000 -8.994 0.000) 8.994 20.052 ( -0.000 5.491 -0.000) 5.491 20.235 ( -0.000 3.199 -0.000) 3.199 20.235 ( -0.000 3.116 -0.000) 3.116 20.406 ( -0.000 3.218 -0.000) 3.218 ======================= Grid point 24 (15/100) ======================= q-point: ( 0.43 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.097 ( 29.092 0.000 3.574) 29.311 4.230 ( 6.921 0.000 3.114) 7.589 4.293 ( 8.197 0.000 1.136) 8.275 4.437 ( -0.088 -0.000 2.443) 2.444 4.580 ( -7.905 -0.000 3.513) 8.651 4.629 ( -4.375 -0.000 -6.870) 8.145 4.752 ( -7.217 -0.000 -10.701) 12.907 5.042 ( 8.750 0.000 -3.083) 9.277 5.063 ( -18.451 -0.000 -0.490) 18.458 5.354 ( -0.120 -0.000 -1.338) 1.343 5.470 ( 5.007 0.000 4.678) 6.852 5.623 ( 7.782 0.000 -10.044) 12.706 5.864 ( -8.224 -0.000 -9.059) 12.235 6.101 ( 1.181 0.000 0.290) 1.216 6.331 ( 18.461 0.000 -3.294) 18.753 6.389 ( 21.761 0.000 5.964) 22.564 6.396 ( 4.268 0.000 -7.394) 8.538 6.993 ( 12.281 0.000 -9.924) 15.789 7.146 ( 13.589 0.000 7.117) 15.340 7.295 ( 18.377 0.000 0.851) 18.397 7.658 ( 9.218 0.000 0.162) 9.220 7.791 ( -5.085 -0.000 6.038) 7.894 7.899 ( 11.410 0.000 8.406) 14.172 8.060 ( 27.673 0.000 -8.516) 28.954 8.098 ( 40.706 0.000 0.914) 40.716 8.274 ( 3.200 0.000 9.873) 10.379 8.568 ( 8.535 0.000 6.213) 10.557 8.574 ( 21.830 0.000 -13.611) 25.725 9.023 ( -34.598 -0.000 4.105) 34.841 9.286 ( -29.768 -0.000 12.907) 32.446 9.676 ( -33.574 -0.000 0.892) 33.586 9.740 ( -32.164 -0.000 0.528) 32.168 11.415 ( -10.790 -0.000 -0.402) 10.797 11.452 ( -7.705 -0.000 3.546) 8.482 11.690 ( -5.341 -0.000 0.521) 5.366 11.767 ( -7.630 -0.000 -1.048) 7.702 12.152 ( 0.407 0.000 1.243) 1.308 12.370 ( -4.791 -0.000 -1.094) 4.914 13.212 ( -0.860 -0.000 -3.883) 3.977 13.238 ( -1.007 -0.000 9.775) 9.827 13.315 ( 0.181 0.000 -8.410) 8.412 13.368 ( -6.436 -0.000 -6.001) 8.800 13.750 ( 0.646 0.000 -1.432) 1.571 13.931 ( -1.270 -0.000 0.555) 1.386 13.968 ( 0.429 0.000 0.791) 0.900 14.074 ( 0.777 0.000 0.162) 0.793 14.250 ( 3.176 0.000 0.965) 3.319 14.288 ( 1.174 0.000 0.420) 1.247 16.604 ( -1.136 -0.000 -2.839) 3.058 16.661 ( -2.661 -0.000 -0.358) 2.685 16.996 ( 3.298 0.000 3.345) 4.697 17.209 ( -3.017 -0.000 -0.987) 3.174 17.237 ( 1.023 0.000 -0.465) 1.124 17.345 ( -1.526 -0.000 1.473) 2.122 17.372 ( 0.118 0.000 -1.178) 1.184 17.452 ( -3.854 -0.000 -3.443) 5.168 17.462 ( 0.378 0.000 1.792) 1.831 17.623 ( -0.800 -0.000 2.076) 2.225 17.673 ( -2.401 -0.000 0.536) 2.460 17.713 ( -3.618 -0.000 -1.502) 3.917 17.998 ( -6.972 -0.000 1.479) 7.127 18.010 ( -0.279 -0.000 1.471) 1.498 18.081 ( -4.828 -0.000 -0.823) 4.897 18.199 ( -6.597 -0.000 -0.457) 6.613 19.210 ( -1.018 -0.000 -1.603) 1.899 19.338 ( -2.008 -0.000 -1.093) 2.286 19.471 ( 3.913 0.000 -5.861) 7.047 19.668 ( -6.004 -0.000 2.921) 6.677 20.107 ( 4.446 0.000 6.931) 8.234 20.328 ( 0.864 0.000 -3.290) 3.402 20.335 ( 1.487 0.000 1.231) 1.931 20.467 ( 2.209 0.000 1.268) 2.547 ======================= Grid point 25 (16/100) ======================= q-point: (-0.43 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.953 ( -0.000 27.887 -0.000) 27.887 4.069 ( -0.000 31.896 -0.000) 31.896 4.374 ( -0.000 1.753 -0.000) 1.753 4.384 ( -0.000 9.699 -0.000) 9.699 4.513 ( -0.000 4.444 -0.000) 4.444 4.728 ( 0.000 -7.401 0.000) 7.401 4.783 ( 0.000 -6.243 0.000) 6.243 4.900 ( 0.000 -11.739 0.000) 11.739 5.149 ( -0.000 4.472 -0.000) 4.472 5.336 ( 0.000 -5.867 0.000) 5.867 5.530 ( -0.000 0.500 -0.000) 0.500 5.684 ( 0.000 -4.429 0.000) 4.429 5.782 ( 0.000 -0.692 0.000) 0.692 6.030 ( -0.000 10.748 -0.000) 10.748 6.190 ( -0.000 32.267 -0.000) 32.267 6.340 ( -0.000 10.536 -0.000) 10.536 6.500 ( -0.000 10.546 -0.000) 10.546 6.947 ( -0.000 15.961 -0.000) 15.961 7.217 ( -0.000 23.597 -0.000) 23.597 7.265 ( -0.000 8.783 -0.000) 8.783 7.428 ( -0.000 23.847 -0.000) 23.847 7.864 ( -0.000 21.373 -0.000) 21.373 7.910 ( 0.000 -12.756 0.000) 12.756 8.115 ( -0.000 9.178 -0.000) 9.178 8.172 ( -0.000 14.890 -0.000) 14.890 8.612 ( 0.000 -9.661 0.000) 9.661 8.644 ( -0.000 0.751 -0.000) 0.751 8.846 ( -0.000 2.726 -0.000) 2.726 9.092 ( 0.000 -38.417 0.000) 38.417 9.308 ( 0.000 -37.082 0.000) 37.082 9.412 ( 0.000 -17.276 0.000) 17.276 9.666 ( 0.000 -19.522 0.000) 19.522 11.333 ( 0.000 -2.195 0.000) 2.195 11.498 ( 0.000 -10.684 0.000) 10.684 11.692 ( 0.000 -5.080 0.000) 5.080 11.731 ( 0.000 -3.587 0.000) 3.587 12.148 ( -0.000 3.569 -0.000) 3.569 12.331 ( 0.000 -2.399 0.000) 2.399 13.112 ( -0.000 7.749 -0.000) 7.749 13.165 ( -0.000 6.146 -0.000) 6.146 13.358 ( 0.000 -6.634 0.000) 6.634 13.460 ( 0.000 -12.980 0.000) 12.980 13.748 ( -0.000 0.376 -0.000) 0.376 13.928 ( 0.000 -0.678 0.000) 0.678 13.978 ( 0.000 -0.744 0.000) 0.744 14.079 ( -0.000 0.158 -0.000) 0.158 14.266 ( -0.000 1.650 -0.000) 1.650 14.279 ( -0.000 2.116 -0.000) 2.116 16.603 ( 0.000 -1.992 0.000) 1.992 16.644 ( 0.000 -0.544 0.000) 0.544 17.037 ( 0.000 -0.070 0.000) 0.070 17.164 ( -0.000 1.585 -0.000) 1.585 17.228 ( -0.000 2.995 -0.000) 2.995 17.337 ( 0.000 -3.149 0.000) 3.149 17.395 ( 0.000 -1.355 0.000) 1.355 17.421 ( 0.000 -0.496 0.000) 0.496 17.468 ( 0.000 -0.075 0.000) 0.075 17.639 ( 0.000 -2.884 0.000) 2.884 17.690 ( 0.000 -1.849 0.000) 1.849 17.708 ( 0.000 -5.131 0.000) 5.131 17.967 ( 0.000 -2.460 0.000) 2.460 18.057 ( 0.000 -5.063 0.000) 5.063 18.064 ( 0.000 -3.352 0.000) 3.352 18.193 ( 0.000 -6.398 0.000) 6.398 19.161 ( -0.000 3.658 -0.000) 3.658 19.362 ( 0.000 -4.267 0.000) 4.267 19.489 ( 0.000 -0.108 0.000) 0.108 19.663 ( 0.000 -4.775 0.000) 4.775 20.148 ( -0.000 1.475 -0.000) 1.475 20.312 ( -0.000 1.648 -0.000) 1.648 20.332 ( -0.000 2.379 -0.000) 2.379 20.476 ( -0.000 1.417 -0.000) 1.417 ======================= Grid point 49 (17/100) ======================= q-point: ( 0.00 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.079 ( 12.481 0.000 55.406) 56.794 1.082 ( -2.457 -0.000 55.573) 55.627 1.543 ( -0.427 -0.000 79.987) 79.988 3.754 ( 1.104 0.000 6.669) 6.760 3.964 ( 11.151 0.000 9.268) 14.500 4.047 ( 8.597 0.000 9.984) 13.176 4.103 ( 5.238 0.000 -2.182) 5.674 4.176 ( 0.599 0.000 3.165) 3.221 4.550 ( 3.604 0.000 -9.340) 10.011 4.807 ( 1.934 0.000 -9.974) 10.159 4.817 ( -4.084 -0.000 -9.457) 10.301 5.017 ( -7.256 -0.000 -5.761) 9.265 5.031 ( -0.366 -0.000 -6.991) 7.001 5.272 ( 5.459 0.000 -4.480) 7.062 5.280 ( 11.410 0.000 -4.314) 12.198 5.753 ( 4.761 0.000 0.275) 4.769 5.770 ( 9.138 0.000 -9.030) 12.847 5.941 ( -4.697 -0.000 5.392) 7.152 6.040 ( 2.581 0.000 -4.974) 5.604 6.484 ( -15.192 -0.000 0.647) 15.205 6.862 ( -11.261 -0.000 18.320) 21.504 6.986 ( 3.514 0.000 -21.604) 21.888 7.184 ( -11.567 -0.000 -5.398) 12.765 7.708 ( -11.204 -0.000 9.349) 14.592 7.998 ( 1.359 0.000 21.893) 21.935 8.559 ( -1.767 -0.000 -29.185) 29.239 9.103 ( -13.004 -0.000 -7.261) 14.894 9.282 ( -12.015 -0.000 -18.547) 22.099 10.579 ( 0.635 0.000 5.897) 5.932 10.932 ( 6.762 0.000 -7.139) 9.833 11.137 ( 7.596 0.000 17.067) 18.681 11.414 ( 3.130 0.000 5.444) 6.280 12.012 ( 3.370 0.000 2.912) 4.453 12.017 ( 3.531 0.000 -1.072) 3.690 12.333 ( 5.501 0.000 6.441) 8.470 12.652 ( 0.802 0.000 -2.943) 3.050 12.656 ( 4.802 0.000 -2.061) 5.226 12.810 ( -1.043 -0.000 0.075) 1.045 13.140 ( -0.677 -0.000 5.545) 5.586 13.321 ( -3.614 -0.000 -0.865) 3.716 13.356 ( 4.286 0.000 -0.459) 4.310 13.769 ( -1.049 -0.000 0.257) 1.080 13.807 ( 1.470 0.000 0.037) 1.471 13.901 ( -2.519 -0.000 -0.311) 2.539 13.907 ( -1.028 -0.000 -0.147) 1.039 13.966 ( -1.670 -0.000 0.737) 1.825 13.997 ( 0.328 0.000 -0.019) 0.329 14.391 ( -0.801 -0.000 -5.128) 5.191 16.836 ( -1.458 -0.000 -1.183) 1.877 16.871 ( 1.021 0.000 -0.593) 1.180 16.997 ( 1.198 0.000 1.000) 1.560 17.020 ( 3.838 0.000 0.911) 3.945 17.083 ( 2.042 0.000 -0.187) 2.050 17.137 ( -4.034 -0.000 0.073) 4.035 17.152 ( -0.040 -0.000 0.462) 0.464 17.179 ( 1.308 0.000 1.007) 1.651 18.070 ( -1.622 -0.000 -0.314) 1.652 18.075 ( 0.015 0.000 0.161) 0.162 18.163 ( -0.482 -0.000 0.209) 0.525 18.185 ( 2.362 0.000 0.636) 2.446 18.438 ( -2.090 -0.000 0.284) 2.110 18.585 ( 2.905 0.000 3.091) 4.242 18.680 ( 0.424 0.000 -1.829) 1.877 18.853 ( -3.347 -0.000 -1.653) 3.733 19.404 ( 1.742 0.000 0.483) 1.808 19.511 ( 2.026 0.000 0.257) 2.043 19.557 ( -3.570 -0.000 1.404) 3.836 19.722 ( -0.406 -0.000 -1.941) 1.983 20.122 ( -0.209 -0.000 0.054) 0.216 20.153 ( 1.034 0.000 -0.288) 1.073 20.208 ( -0.041 -0.000 -2.417) 2.418 20.212 ( -0.620 -0.000 -2.304) 2.386 ======================= Grid point 50 (18/100) ======================= q-point: ( 0.14 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.573 ( 11.940 -23.435 40.951) 48.669 1.680 ( 28.353 -7.481 44.201) 53.044 2.678 ( 41.377 -43.499 57.600) 83.198 3.878 ( 5.881 -2.841 6.860) 9.472 4.141 ( 12.228 1.767 1.414) 12.436 4.188 ( 2.770 0.656 -5.960) 6.605 4.280 ( 14.478 -4.304 7.579) 16.899 4.455 ( 10.361 -16.042 11.093) 22.085 4.684 ( -0.112 4.096 -4.621) 6.176 4.691 ( 8.681 -8.835 -7.176) 14.315 4.867 ( 1.809 0.217 -9.404) 9.578 5.025 ( 13.287 -14.459 -14.650) 24.500 5.249 ( 12.622 -15.048 -7.130) 20.895 5.305 ( 14.172 1.385 2.003) 14.380 5.626 ( 13.366 -13.654 5.140) 19.787 5.794 ( 9.016 1.382 -7.394) 11.742 5.903 ( 0.232 -2.255 3.529) 4.194 6.009 ( -4.173 4.532 10.500) 12.174 6.090 ( -1.422 3.234 0.573) 3.579 6.275 ( 11.142 -12.759 -14.304) 22.171 6.764 ( 3.065 7.664 4.486) 9.395 6.846 ( -13.361 -5.261 -1.844) 14.478 7.261 ( -0.939 -16.059 -15.601) 22.409 7.431 ( -15.454 5.247 1.977) 16.440 8.159 ( -5.680 -1.207 6.519) 8.730 8.340 ( -5.803 -1.961 -28.456) 29.108 8.649 ( -16.892 17.157 -10.134) 26.123 9.154 ( -12.277 -12.599 -10.158) 20.314 10.538 ( -4.460 3.789 6.287) 8.589 10.870 ( -3.809 7.409 -5.328) 9.888 11.189 ( -1.550 10.863 13.911) 17.718 11.360 ( -5.302 9.005 5.223) 11.682 11.950 ( 1.005 8.995 2.348) 9.350 12.164 ( 3.816 -4.855 3.877) 7.292 12.336 ( -2.820 7.692 5.347) 9.783 12.528 ( -3.167 10.626 -1.839) 11.240 12.557 ( -8.814 10.576 0.312) 13.771 12.788 ( -2.668 -1.888 -0.291) 3.281 13.165 ( 2.734 6.045 1.705) 6.850 13.213 ( 0.034 -0.389 5.523) 5.537 13.491 ( 1.923 -6.017 -0.445) 6.332 13.750 ( -1.858 -0.682 -0.023) 1.979 13.799 ( 0.114 1.265 -1.428) 1.911 13.901 ( 0.892 -2.809 -0.553) 2.999 13.915 ( -0.818 -1.904 -1.076) 2.335 13.967 ( 0.809 0.455 0.469) 1.040 14.029 ( 1.339 -2.308 -0.005) 2.668 14.296 ( -4.443 3.500 -6.011) 8.254 16.791 ( -1.431 1.483 -1.123) 2.347 16.878 ( -0.600 -0.496 -0.449) 0.899 17.006 ( -0.002 3.250 1.437) 3.554 17.069 ( 3.607 0.370 1.817) 4.056 17.112 ( -0.674 -3.153 0.258) 3.235 17.160 ( 3.884 -2.800 -0.104) 4.789 17.176 ( 3.317 0.260 0.192) 3.333 17.251 ( 1.784 -4.997 -0.381) 5.319 17.960 ( -5.403 4.865 0.246) 7.274 18.019 ( -3.720 3.396 0.153) 5.039 18.106 ( -3.974 4.059 0.103) 5.681 18.194 ( -1.093 2.109 0.179) 2.382 18.375 ( -3.623 2.521 1.146) 4.560 18.588 ( -1.603 5.197 0.800) 5.497 18.650 ( -0.766 1.088 0.510) 1.425 18.738 ( -6.024 3.756 -0.256) 7.104 19.354 ( -1.727 4.160 0.865) 4.587 19.482 ( -5.160 0.985 0.082) 5.254 19.556 ( 2.693 -1.152 0.733) 3.019 19.724 ( -1.409 -2.953 -2.379) 4.046 20.126 ( 0.085 0.578 -0.317) 0.665 20.153 ( -0.289 0.770 -1.042) 1.327 20.184 ( 0.181 1.861 -2.389) 3.034 20.228 ( 1.211 -2.719 -2.116) 3.651 ======================= Grid point 51 (19/100) ======================= q-point: ( 0.29 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.337 ( 20.699 -26.395 21.743) 39.974 2.427 ( 26.778 -15.558 28.531) 42.108 3.895 ( -12.023 12.347 -1.502) 17.299 4.102 ( 8.893 -2.193 1.852) 9.345 4.174 ( 35.896 -38.490 36.396) 63.989 4.306 ( 9.722 -5.332 0.417) 11.096 4.539 ( 4.815 -5.506 -9.977) 12.371 4.663 ( 4.095 -3.167 -5.890) 7.841 4.778 ( 13.065 0.772 -0.809) 13.112 4.877 ( 4.148 -11.902 4.272) 13.308 5.088 ( 11.124 -8.587 -0.160) 14.054 5.272 ( -12.967 13.371 -2.116) 18.746 5.386 ( 9.420 -4.786 -3.723) 11.203 5.560 ( 11.541 -6.386 -8.089) 15.472 5.845 ( 7.897 0.179 -0.547) 7.918 5.906 ( 9.494 -20.351 1.547) 22.510 5.955 ( 4.426 -1.290 -3.924) 6.054 6.196 ( 15.221 -10.072 11.969) 21.826 6.316 ( 18.071 -17.805 8.012) 26.604 6.614 ( -14.691 4.007 -0.528) 15.237 6.784 ( 19.264 -11.865 5.756) 23.346 6.936 ( 9.796 -5.849 -8.532) 14.246 7.063 ( -15.971 -2.936 -7.047) 17.702 7.523 ( 1.437 -16.079 -14.535) 21.722 7.818 ( -8.342 7.588 -12.730) 17.007 8.189 ( -12.430 7.720 1.218) 14.683 8.327 ( 0.160 -3.054 -15.765) 16.059 9.187 ( -3.742 -13.206 -2.674) 13.985 10.432 ( -6.547 5.405 4.966) 9.836 10.553 ( -15.315 15.769 -2.057) 22.078 10.914 ( -11.604 19.850 8.344) 24.460 11.075 ( -9.362 15.991 1.744) 18.612 11.838 ( 0.819 9.281 3.517) 9.959 12.097 ( -9.728 12.458 3.795) 16.256 12.200 ( -11.416 9.270 2.520) 14.920 12.274 ( -4.465 7.757 0.294) 8.955 12.308 ( 2.168 5.468 -2.147) 6.261 12.759 ( -5.176 -1.297 0.768) 5.391 13.118 ( 1.355 3.703 1.825) 4.345 13.339 ( 4.430 -4.800 5.500) 8.539 13.563 ( -0.371 -2.970 -0.165) 2.998 13.740 ( -1.341 -1.221 -0.258) 1.832 13.794 ( 0.545 -0.510 -4.842) 4.899 13.914 ( -0.639 -0.159 -1.549) 1.683 13.955 ( 1.914 -1.491 -0.703) 2.526 13.977 ( 0.235 -0.727 0.162) 0.781 14.068 ( 0.122 -0.331 -0.882) 0.950 14.154 ( -3.072 2.659 -2.156) 4.600 16.758 ( -0.938 0.000 -0.769) 1.213 16.865 ( -1.417 -0.050 -0.101) 1.422 16.957 ( -1.292 1.887 0.189) 2.295 17.111 ( 1.922 0.561 1.310) 2.393 17.176 ( 1.702 -3.001 1.238) 3.666 17.226 ( 3.063 -0.905 -0.854) 3.306 17.248 ( 4.754 -0.084 0.067) 4.755 17.347 ( 1.525 -4.953 -0.981) 5.274 17.829 ( -3.655 3.814 0.754) 5.336 17.894 ( -5.074 4.058 -0.529) 6.519 17.960 ( -4.936 6.111 0.022) 7.855 18.106 ( -3.653 3.868 -0.418) 5.337 18.287 ( -3.402 3.063 1.339) 4.770 18.452 ( -4.137 5.864 -0.483) 7.193 18.556 ( -7.013 5.338 0.816) 8.851 18.625 ( -2.353 2.731 0.309) 3.618 19.279 ( -1.577 3.260 0.707) 3.690 19.398 ( -5.441 -0.510 -0.483) 5.486 19.639 ( 4.465 -2.658 0.268) 5.204 19.745 ( 0.294 -2.458 -1.166) 2.737 20.099 ( -3.394 -1.107 -0.711) 3.640 20.134 ( 1.563 3.566 -1.102) 4.046 20.154 ( 0.966 1.182 -1.117) 1.892 20.270 ( 1.535 -1.246 -1.308) 2.371 ======================= Grid point 52 (20/100) ======================= q-point: ( 0.43 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.038 ( 17.866 -14.586 13.558) 26.754 3.139 ( 21.904 -23.336 5.365) 32.451 3.388 ( -17.237 18.834 -0.845) 25.545 4.179 ( -3.383 0.992 -6.843) 7.697 4.287 ( -29.433 29.336 1.088) 41.570 4.380 ( 2.139 -3.146 -5.291) 6.516 4.631 ( 7.174 -5.805 -3.396) 9.834 4.765 ( 3.936 -3.971 -3.823) 6.773 4.867 ( 3.488 5.926 -19.696) 20.862 5.066 ( -0.176 -6.319 -2.284) 6.721 5.363 ( 7.758 -7.474 4.807) 11.796 5.442 ( 7.228 -8.108 13.409) 17.256 5.620 ( 3.399 -4.878 4.143) 7.246 5.771 ( 7.299 -6.065 10.957) 14.496 5.859 ( 3.799 1.736 2.596) 4.918 6.081 ( -5.913 1.253 1.165) 6.155 6.106 ( 5.429 -7.306 -6.692) 11.298 6.278 ( -9.182 -1.183 -7.326) 11.805 6.558 ( -0.732 -5.067 1.676) 5.387 6.729 ( -14.539 -5.342 -3.467) 15.873 6.932 ( 20.277 -13.832 12.943) 27.749 7.100 ( 9.805 -5.349 10.146) 15.090 7.307 ( 21.231 -10.679 5.042) 24.295 7.526 ( -9.128 5.967 0.273) 10.909 7.872 ( -3.188 2.285 -4.363) 5.867 8.039 ( 12.935 -10.357 3.730) 16.985 8.630 ( 25.137 -25.283 -18.420) 40.130 9.376 ( 4.460 -8.835 0.099) 9.897 9.954 ( -24.750 23.793 -0.857) 34.343 10.131 ( -14.146 14.582 -1.043) 20.343 10.543 ( -6.699 12.730 0.302) 14.388 10.778 ( -2.964 10.104 2.329) 10.785 11.752 ( -0.272 7.163 4.582) 8.507 11.842 ( -5.518 6.308 0.857) 8.425 11.975 ( -1.575 4.185 -0.416) 4.491 12.055 ( -3.901 8.134 1.910) 9.221 12.369 ( 2.388 -2.538 0.067) 3.486 12.681 ( -6.760 -0.532 -2.161) 7.117 13.096 ( -1.470 0.652 0.822) 1.806 13.440 ( -1.101 0.498 -0.550) 1.328 13.575 ( -2.000 -1.682 -0.573) 2.676 13.736 ( -0.433 -0.367 -2.794) 2.851 13.761 ( 0.419 -3.265 -6.266) 7.078 13.921 ( 0.588 -0.962 1.622) 1.975 13.984 ( 2.085 0.748 -0.661) 2.312 13.991 ( 1.018 0.145 -0.094) 1.033 14.062 ( 0.323 -0.737 0.785) 1.124 14.132 ( -0.158 0.501 2.140) 2.203 16.756 ( -0.912 -1.816 -0.611) 2.122 16.842 ( -2.026 -0.556 0.066) 2.102 16.923 ( 0.279 1.573 -0.695) 1.742 17.121 ( 0.136 0.671 0.223) 0.720 17.232 ( 1.559 -0.132 0.728) 1.726 17.262 ( 0.525 -0.897 -1.417) 1.757 17.294 ( 3.077 1.565 0.194) 3.457 17.414 ( 0.603 -2.472 -1.026) 2.743 17.746 ( -2.603 2.303 -1.338) 3.724 17.792 ( -2.039 1.130 -0.696) 2.433 17.840 ( -0.965 3.517 1.049) 3.795 18.017 ( -1.581 1.695 -0.366) 2.347 18.228 ( -0.852 1.093 0.719) 1.562 18.341 ( -2.507 2.168 0.018) 3.314 18.399 ( -4.497 3.212 0.531) 5.551 18.564 ( -1.329 1.477 0.297) 2.009 19.228 ( -1.661 0.763 0.676) 1.949 19.350 ( -3.923 -2.824 -0.787) 4.897 19.729 ( 0.977 -2.889 -0.665) 3.122 19.792 ( 5.074 1.618 1.576) 5.554 20.069 ( -3.203 -2.415 -0.510) 4.044 20.103 ( 2.759 3.982 -0.120) 4.847 20.151 ( 0.358 0.307 -1.198) 1.288 20.293 ( 1.581 0.269 -0.815) 1.799 ======================= Grid point 53 (21/100) ======================= q-point: (-0.43 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.643 ( -24.950 26.830 -0.473) 36.641 3.264 ( -36.585 36.370 -3.712) 51.721 3.604 ( 14.172 -10.771 6.885) 19.086 3.746 ( 16.448 -19.941 -13.527) 29.175 4.089 ( -2.654 2.217 -7.677) 8.420 4.383 ( -4.386 1.514 -2.701) 5.369 4.535 ( -9.676 9.953 -22.089) 26.088 4.794 ( -3.735 1.027 1.417) 4.125 4.852 ( -1.723 1.744 -2.095) 3.225 4.880 ( -26.823 27.206 -1.191) 38.224 5.162 ( -3.342 -1.351 5.710) 6.752 5.411 ( -9.205 8.016 9.009) 15.171 5.509 ( -6.440 10.455 0.106) 12.280 5.677 ( 0.600 -6.228 1.580) 6.453 5.933 ( 4.102 -2.455 -5.820) 7.531 6.089 ( -7.331 -2.331 -10.291) 12.848 6.207 ( 0.286 -5.967 0.627) 6.007 6.327 ( -14.304 2.657 1.325) 14.609 6.629 ( -5.068 -6.396 6.160) 10.224 6.785 ( -6.677 -4.217 13.613) 15.737 6.942 ( -21.169 12.113 4.648) 24.828 7.264 ( 0.378 16.985 7.815) 18.700 7.442 ( 20.018 -12.645 12.970) 26.997 7.882 ( 12.079 -1.271 -1.663) 12.259 7.967 ( 21.500 -11.652 7.079) 25.458 8.372 ( 8.518 -3.190 14.146) 16.818 9.023 ( -13.251 12.546 0.813) 18.266 9.237 ( -2.032 4.151 -4.578) 6.505 9.727 ( 17.500 -17.473 -10.502) 26.867 10.002 ( 9.958 -5.456 -4.369) 12.166 10.399 ( 3.776 1.301 0.019) 3.994 10.741 ( 4.935 -1.618 -1.027) 5.294 11.692 ( 0.170 1.070 3.015) 3.204 11.804 ( 4.461 -1.844 -1.330) 5.007 11.955 ( 2.720 1.198 2.410) 3.826 12.085 ( 9.193 -5.581 -2.951) 11.151 12.395 ( -4.575 -1.087 -0.544) 4.734 12.605 ( -1.815 -2.382 -4.113) 5.088 13.059 ( -4.668 -2.006 -1.202) 5.221 13.309 ( -5.998 3.410 -3.729) 7.843 13.562 ( -1.139 -0.282 -1.209) 1.685 13.739 ( -0.628 -1.251 -0.599) 1.522 13.843 ( 3.056 -3.883 -4.343) 6.579 13.946 ( -0.096 -1.033 0.811) 1.317 13.991 ( 0.752 1.547 -0.332) 1.752 14.003 ( 2.608 1.028 -0.332) 2.823 14.102 ( 1.495 -1.304 2.441) 3.146 14.130 ( -0.040 0.075 3.301) 3.302 16.766 ( -1.696 -2.379 -0.481) 2.961 16.838 ( -1.217 -2.662 -0.785) 3.030 16.909 ( 1.707 2.204 -0.408) 2.817 17.099 ( -1.191 1.090 -0.686) 1.755 17.214 ( -0.047 3.611 -0.388) 3.632 17.259 ( -2.630 -1.460 -1.156) 3.222 17.291 ( 1.280 3.335 -0.129) 3.575 17.416 ( -0.750 1.506 -0.601) 1.786 17.706 ( 0.637 -1.456 -1.977) 2.536 17.810 ( 3.418 -2.298 -0.607) 4.163 17.846 ( 2.607 -1.359 1.241) 3.192 18.033 ( 2.576 -2.594 0.092) 3.657 18.218 ( 0.085 -0.245 0.398) 0.475 18.340 ( 2.695 -2.017 -0.157) 3.370 18.388 ( 1.400 -4.111 0.354) 4.357 18.567 ( 1.485 -1.576 0.409) 2.203 19.223 ( -1.366 -2.742 0.656) 3.133 19.360 ( -1.361 -4.323 -0.675) 4.582 19.723 ( -2.417 1.893 0.539) 3.117 19.834 ( 4.934 4.468 1.891) 6.920 20.092 ( 2.361 -1.575 -0.086) 2.839 20.099 ( 0.452 -0.241 0.180) 0.543 20.142 ( -0.243 -0.033 -1.614) 1.632 20.300 ( 1.333 1.253 -0.661) 1.946 ======================= Grid point 54 (22/100) ======================= q-point: (-0.29 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.870 ( -26.137 31.146 8.651) 41.570 2.192 ( -37.413 36.337 0.662) 52.159 3.458 ( -51.434 50.439 21.094) 75.064 3.814 ( 3.981 1.668 -4.071) 5.934 3.921 ( -3.923 -1.520 -21.590) 21.996 4.076 ( 2.709 -3.140 -1.496) 4.408 4.225 ( -7.606 6.460 -1.001) 10.030 4.586 ( 11.961 -10.425 -19.103) 24.833 4.707 ( -10.406 9.711 -3.571) 14.674 4.858 ( 0.603 0.056 -3.962) 4.008 5.027 ( -14.636 10.554 -0.114) 18.045 5.195 ( -2.923 3.911 9.550) 10.726 5.357 ( 0.444 8.277 4.137) 9.264 5.651 ( -8.766 8.848 -0.271) 12.458 5.743 ( -13.286 8.698 -11.726) 19.740 5.919 ( -17.856 5.086 -1.174) 18.603 6.096 ( -2.370 -2.737 -1.109) 3.787 6.362 ( -10.913 13.368 9.991) 19.940 6.449 ( -9.798 -7.364 7.594) 14.419 6.516 ( -12.985 4.758 3.415) 14.245 6.819 ( -8.986 20.905 -4.411) 23.178 6.884 ( -11.221 -17.918 11.391) 24.015 7.715 ( 8.659 14.723 -14.464) 22.382 7.872 ( -3.359 8.844 13.931) 16.839 8.330 ( -3.447 16.296 14.891) 22.343 8.466 ( 13.261 -10.599 -1.098) 17.011 8.972 ( 7.409 -9.853 12.481) 17.543 9.224 ( 2.029 -7.205 1.961) 7.738 10.179 ( 14.014 -9.299 -7.279) 18.326 10.382 ( 21.321 -13.417 -6.663) 26.058 10.598 ( 12.009 -9.041 2.460) 15.232 10.933 ( 11.257 -8.705 -1.745) 14.337 11.781 ( 5.845 -5.438 0.473) 7.997 11.936 ( 6.589 -3.093 -4.871) 8.758 12.046 ( 5.768 -1.622 -0.418) 6.006 12.311 ( 6.535 -3.929 -1.046) 7.697 12.358 ( 3.184 -9.281 -3.133) 10.300 12.656 ( 2.962 -3.930 -2.083) 5.344 13.037 ( -4.469 -6.386 -1.857) 8.012 13.210 ( -3.444 0.073 1.210) 3.651 13.535 ( -0.287 1.939 -1.693) 2.590 13.745 ( -0.607 -1.207 0.019) 1.351 13.860 ( 0.279 2.009 -1.075) 2.295 13.951 ( -0.909 -0.356 -0.259) 1.010 13.969 ( -0.396 1.450 -0.220) 1.519 14.008 ( 0.444 1.606 0.540) 1.752 14.096 ( -1.763 1.313 1.543) 2.686 14.236 ( 5.048 -4.934 0.742) 7.097 16.780 ( -0.987 -2.927 -0.454) 3.122 16.868 ( 0.199 -2.892 -2.678) 3.947 16.906 ( 1.455 1.138 1.231) 2.220 17.055 ( -1.855 1.306 -0.648) 2.359 17.154 ( -0.517 3.108 -0.833) 3.259 17.219 ( -3.477 -0.030 -0.559) 3.522 17.234 ( 0.150 5.327 -0.896) 5.404 17.352 ( -2.299 3.767 0.049) 4.414 17.794 ( 4.938 -5.269 -0.709) 7.257 17.917 ( 5.092 -2.933 0.609) 5.908 17.956 ( 4.780 -5.669 -0.131) 7.417 18.125 ( 2.974 -3.142 0.098) 4.327 18.274 ( 3.603 -3.485 0.972) 5.106 18.451 ( 5.525 -4.428 -0.487) 7.097 18.499 ( 2.076 -5.691 -0.753) 6.104 18.650 ( 3.767 -4.083 1.532) 5.763 19.272 ( -0.628 -5.174 0.907) 5.290 19.419 ( 1.027 -4.111 -0.601) 4.279 19.639 ( -3.014 3.811 1.744) 5.162 19.819 ( 2.712 5.868 0.577) 6.490 20.116 ( 1.177 -0.202 -0.076) 1.196 20.135 ( 1.312 0.338 -1.099) 1.744 20.161 ( 0.760 -3.634 -0.919) 3.825 20.288 ( 0.546 1.895 -0.915) 2.175 ======================= Grid point 55 (23/100) ======================= q-point: (-0.14 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.156 ( -23.472 27.057 27.322) 45.050 1.272 ( -25.614 30.132 29.232) 49.179 2.125 ( -49.774 48.476 47.747) 84.304 3.771 ( -0.132 2.646 -0.310) 2.668 3.844 ( 0.152 -1.752 -2.712) 3.233 4.010 ( -2.013 6.305 2.555) 7.094 4.149 ( -1.266 2.400 -4.423) 5.189 4.302 ( -7.005 15.002 4.252) 17.094 4.653 ( -4.034 7.767 -4.242) 9.726 4.857 ( 0.916 0.542 -8.935) 8.999 4.951 ( 8.799 -13.556 -18.060) 24.235 5.057 ( -8.992 9.168 -5.053) 13.800 5.206 ( -5.580 9.670 -2.004) 11.343 5.317 ( -2.144 8.233 -2.849) 8.972 5.357 ( -16.222 7.940 -1.252) 18.104 5.750 ( 3.324 3.936 -3.228) 6.080 5.899 ( -14.578 15.403 6.885) 22.298 6.029 ( -9.328 0.915 7.085) 11.749 6.185 ( -4.093 13.001 -12.584) 18.551 6.513 ( -11.710 -14.996 4.567) 19.567 6.786 ( -2.364 -12.587 6.032) 14.157 7.074 ( -4.977 -6.556 1.705) 8.406 7.450 ( 0.041 11.699 -11.391) 16.328 7.683 ( -10.771 5.565 16.742) 20.671 8.123 ( -1.292 19.177 16.370) 25.246 8.629 ( 4.165 -3.975 -18.056) 18.952 9.153 ( -5.345 -11.096 -5.660) 13.555 9.440 ( 1.620 -3.527 0.968) 4.000 10.433 ( 8.859 -6.438 2.050) 11.141 10.745 ( 15.823 -5.092 -3.098) 16.908 10.906 ( 9.757 -6.828 4.911) 12.882 11.232 ( 10.811 -7.458 3.041) 13.481 11.936 ( 3.440 -3.844 -6.102) 7.990 11.977 ( 4.727 0.655 0.418) 4.790 12.182 ( 7.482 -3.159 2.584) 8.523 12.482 ( 7.118 -7.751 -0.622) 10.542 12.584 ( 7.288 -5.892 -2.797) 9.780 12.760 ( 3.969 -3.374 -0.703) 5.257 13.098 ( -0.636 -6.172 -0.120) 6.206 13.216 ( -1.864 -5.264 3.121) 6.397 13.469 ( -0.060 6.239 -1.841) 6.505 13.760 ( 0.086 -1.221 0.478) 1.314 13.817 ( -0.054 2.658 -0.529) 2.711 13.927 ( -2.162 0.271 -0.030) 2.179 13.941 ( -1.135 0.886 0.196) 1.453 13.990 ( -0.896 0.653 1.301) 1.709 14.040 ( -2.613 2.692 0.723) 3.821 14.361 ( 3.273 -3.705 -2.637) 5.603 16.818 ( -0.064 -3.285 -0.535) 3.329 16.875 ( 1.688 1.716 -1.797) 3.004 16.950 ( 0.949 -3.547 0.486) 3.703 17.012 ( -1.492 0.898 0.007) 1.742 17.106 ( -0.153 2.483 -1.757) 3.046 17.161 ( 0.824 4.132 0.292) 4.223 17.170 ( -2.286 0.562 0.245) 2.367 17.254 ( -3.556 3.937 0.299) 5.314 17.961 ( 5.990 -6.073 0.140) 8.532 18.027 ( 3.215 -2.943 0.515) 4.389 18.102 ( 4.515 -4.075 -0.014) 6.083 18.180 ( 0.503 -0.617 -0.328) 0.861 18.395 ( 3.392 -3.734 1.445) 5.248 18.540 ( 0.139 -2.285 0.649) 2.379 18.617 ( 5.188 -3.736 -1.560) 6.581 18.783 ( 3.321 -4.978 2.987) 6.688 19.340 ( -0.507 -4.038 1.694) 4.408 19.480 ( 2.347 -0.868 -0.901) 2.660 19.578 ( -2.280 0.279 2.701) 3.546 19.763 ( 0.928 4.539 -1.502) 4.870 20.128 ( -0.223 -0.762 -0.378) 0.879 20.152 ( 1.755 0.182 -1.646) 2.413 20.204 ( 0.187 -2.044 -1.690) 2.659 20.251 ( -0.499 2.385 -1.696) 2.969 ======================= Grid point 57 (24/100) ======================= q-point: ( 0.14 0.14 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.908 ( 30.023 0.000 31.061) 43.199 2.428 ( 38.225 0.000 40.967) 56.031 3.292 ( 51.842 0.000 52.066) 73.474 4.014 ( 7.789 0.000 7.119) 10.552 4.289 ( 12.254 0.000 -7.390) 14.310 4.349 ( 11.943 0.000 -10.041) 15.603 4.476 ( 13.137 0.000 9.835) 16.411 4.599 ( 19.169 0.000 2.084) 19.282 4.688 ( 8.398 0.000 -17.260) 19.195 4.857 ( 7.155 0.000 1.860) 7.393 5.025 ( 16.004 0.000 4.664) 16.670 5.041 ( 17.529 0.000 -18.945) 25.811 5.213 ( 20.491 0.000 -11.244) 23.373 5.687 ( 16.123 0.000 11.983) 20.088 5.705 ( 14.976 0.000 3.422) 15.362 5.904 ( 3.182 0.000 0.692) 3.256 5.968 ( -10.397 -0.000 7.473) 12.804 6.078 ( 14.087 0.000 -1.945) 14.221 6.142 ( 2.639 0.000 3.309) 4.232 6.223 ( 19.673 0.000 -18.054) 26.701 6.570 ( -3.577 -0.000 -11.319) 11.871 6.800 ( -4.227 -0.000 -13.646) 14.286 7.183 ( -23.340 -0.000 -9.107) 25.054 7.255 ( 19.555 0.000 14.798) 24.522 8.023 ( -8.262 -0.000 -40.931) 41.756 8.230 ( -2.607 -0.000 23.212) 23.358 8.612 ( -15.032 -0.000 0.207) 15.034 8.709 ( -11.862 -0.000 -13.221) 17.762 10.477 ( -10.952 -0.000 8.437) 13.825 10.780 ( -14.003 -0.000 -2.017) 14.148 11.224 ( -12.275 -0.000 8.176) 14.749 11.312 ( -13.864 -0.000 4.487) 14.572 12.108 ( -1.836 -0.000 4.631) 4.982 12.116 ( 1.258 0.000 3.435) 3.658 12.323 ( -10.928 -0.000 4.810) 11.940 12.495 ( -10.434 -0.000 -3.882) 11.133 12.522 ( -11.764 -0.000 0.765) 11.789 12.647 ( -7.795 -0.000 -1.259) 7.896 13.225 ( 1.345 0.000 7.012) 7.139 13.226 ( -0.720 -0.000 -6.955) 6.992 13.444 ( -1.619 -0.000 3.119) 3.514 13.701 ( -2.758 -0.000 -0.401) 2.787 13.822 ( -2.374 -0.000 -3.888) 4.556 13.861 ( 3.553 0.000 1.954) 4.055 13.940 ( 3.763 0.000 -0.093) 3.764 14.012 ( 0.461 0.000 0.356) 0.582 14.046 ( 5.495 0.000 0.193) 5.499 14.205 ( -6.704 -0.000 -6.393) 9.264 16.756 ( -3.008 -0.000 -2.091) 3.663 16.880 ( 0.509 0.000 0.866) 1.005 16.957 ( -5.991 -0.000 -1.312) 6.133 17.129 ( 4.978 0.000 0.890) 5.057 17.160 ( 3.340 0.000 3.048) 4.522 17.215 ( 5.152 0.000 0.618) 5.189 17.220 ( 1.067 0.000 -1.891) 2.171 17.261 ( 6.777 0.000 1.070) 6.861 17.890 ( -8.273 -0.000 0.877) 8.320 17.937 ( -8.460 -0.000 -0.114) 8.461 18.085 ( -5.782 -0.000 0.154) 5.784 18.149 ( -6.336 -0.000 -0.366) 6.346 18.329 ( -5.828 -0.000 1.922) 6.137 18.559 ( -6.936 -0.000 -1.341) 7.064 18.642 ( -2.821 -0.000 1.564) 3.225 18.645 ( -9.188 -0.000 -1.523) 9.314 19.342 ( -2.834 -0.000 -2.601) 3.847 19.414 ( -5.316 -0.000 0.590) 5.349 19.549 ( -1.471 -0.000 -1.428) 2.050 19.715 ( 3.399 0.000 3.915) 5.185 20.079 ( -5.016 -0.000 -0.861) 5.089 20.194 ( 2.249 0.000 -1.547) 2.729 20.195 ( 2.250 0.000 -1.258) 2.578 20.236 ( 3.514 0.000 -1.339) 3.761 ======================= Grid point 58 (25/100) ======================= q-point: ( 0.29 0.14 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.581 ( 34.291 -10.306 17.034) 39.652 3.042 ( 35.847 10.214 32.313) 49.331 4.012 ( -0.420 14.806 -1.691) 14.908 4.232 ( 9.458 0.734 1.168) 9.558 4.440 ( 14.468 3.573 -6.252) 16.161 4.531 ( 35.909 -11.281 21.484) 43.339 4.610 ( 11.645 3.439 -11.060) 16.424 4.817 ( 13.986 -0.495 -6.692) 15.513 4.837 ( 14.085 -3.658 2.212) 14.720 5.054 ( 15.256 -3.395 0.819) 15.651 5.188 ( 10.314 1.845 -0.191) 10.480 5.267 ( -7.221 12.259 -4.506) 14.924 5.399 ( 10.319 -7.587 -10.885) 16.809 5.655 ( 11.207 -4.042 -1.055) 11.960 5.798 ( 3.653 -3.932 -1.227) 5.506 6.024 ( 4.672 2.145 -0.437) 5.160 6.122 ( 17.207 9.826 -5.283) 20.507 6.256 ( -0.736 -3.112 -3.142) 4.483 6.415 ( 15.789 -10.092 19.524) 27.062 6.483 ( 22.123 -11.989 2.483) 25.285 6.772 ( -15.391 1.413 -8.926) 17.848 6.796 ( 16.576 -15.966 -21.218) 31.302 6.938 ( 16.232 -11.826 -4.021) 20.482 7.627 ( 14.873 5.004 13.127) 20.459 7.757 ( 4.855 -1.062 -15.004) 15.805 8.212 ( -5.871 1.580 6.428) 8.848 8.248 ( -6.514 11.813 2.277) 13.681 8.835 ( -4.473 -24.208 -2.202) 24.716 10.340 ( -14.889 -0.166 8.141) 16.970 10.445 ( -23.682 8.395 0.724) 25.137 10.906 ( -23.256 11.488 3.065) 26.119 11.043 ( -18.336 4.853 1.537) 19.029 11.977 ( -3.249 8.065 2.155) 8.958 12.067 ( -16.936 6.628 2.567) 18.367 12.131 ( -11.469 2.095 6.289) 13.247 12.274 ( -11.079 6.437 -0.959) 12.849 12.320 ( -3.762 -0.644 -5.447) 6.652 12.580 ( -9.383 -4.919 -0.539) 10.608 13.149 ( -1.346 3.000 -5.271) 6.213 13.316 ( 0.868 -5.689 3.715) 6.850 13.458 ( -3.753 -4.805 1.455) 6.268 13.669 ( -4.331 -2.540 -3.943) 6.384 13.750 ( -2.671 0.775 -4.468) 5.263 13.923 ( 2.041 0.263 1.614) 2.615 14.007 ( 4.906 0.642 0.022) 4.948 14.017 ( 1.926 0.666 1.185) 2.357 14.074 ( -1.916 1.626 -2.479) 3.530 14.137 ( 2.722 -0.470 0.181) 2.768 16.707 ( -3.167 -1.070 -1.974) 3.882 16.853 ( -3.708 1.101 0.301) 3.879 16.917 ( -0.440 -1.681 -0.342) 1.771 17.164 ( 1.374 2.489 0.288) 2.857 17.218 ( 4.370 -0.132 0.535) 4.404 17.242 ( 2.289 -0.934 -1.872) 3.101 17.311 ( 3.378 -2.788 0.243) 4.387 17.358 ( 5.765 0.960 1.683) 6.082 17.779 ( -6.813 0.295 1.005) 6.893 17.802 ( -9.141 -0.143 -0.910) 9.187 17.954 ( -7.294 3.375 0.465) 8.050 18.038 ( -8.293 -0.319 -0.842) 8.342 18.242 ( -6.613 0.153 1.696) 6.828 18.420 ( -8.179 2.418 -0.675) 8.556 18.478 ( -10.424 1.659 -0.819) 10.587 18.576 ( -6.736 -0.344 0.355) 6.754 19.282 ( -1.883 0.147 -4.628) 4.999 19.325 ( -4.558 3.251 1.207) 5.727 19.557 ( -2.576 -6.690 -1.227) 7.274 19.824 ( 7.557 0.550 5.589) 9.415 20.005 ( -5.996 -1.263 0.548) 6.152 20.203 ( 2.812 2.090 -1.469) 3.799 20.208 ( 2.733 2.149 -2.016) 4.019 20.298 ( 4.045 -0.273 -0.165) 4.058 ======================= Grid point 59 (26/100) ======================= q-point: ( 0.43 0.14 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.275 ( 31.049 -11.516 4.245) 33.387 3.457 ( 20.563 17.498 12.011) 29.551 3.635 ( 4.488 22.725 5.501) 23.808 4.195 ( -2.203 10.962 -9.634) 14.759 4.323 ( -17.907 25.173 -2.474) 30.991 4.468 ( 5.390 7.319 -7.524) 11.800 4.700 ( 9.426 -0.091 -6.749) 11.594 4.900 ( 9.446 13.022 -20.088) 25.735 4.980 ( 13.722 4.240 -6.404) 15.725 5.170 ( 7.602 3.709 2.118) 8.720 5.395 ( 7.986 -4.444 -0.692) 9.166 5.522 ( 7.589 -5.008 5.750) 10.758 5.680 ( 4.969 -0.879 4.356) 6.666 5.864 ( 0.194 6.561 4.374) 7.888 5.935 ( -0.581 -2.804 0.237) 2.874 6.015 ( 6.641 -5.554 7.470) 11.435 6.154 ( 4.750 5.658 -4.557) 8.680 6.210 ( 12.180 2.279 -0.302) 12.395 6.459 ( -3.393 -5.480 -4.020) 7.596 6.549 ( 0.186 11.489 -10.740) 15.728 7.049 ( 14.562 -13.720 13.464) 24.116 7.240 ( 10.846 -3.407 -2.106) 11.562 7.394 ( 28.400 -12.092 11.845) 33.062 7.767 ( 5.674 6.036 11.984) 14.569 8.003 ( 9.237 6.524 12.018) 16.502 8.102 ( 8.910 -5.260 6.153) 12.038 8.482 ( 23.219 -30.236 -20.291) 43.187 9.193 ( 3.655 -24.147 -0.426) 24.426 9.852 ( -30.460 17.235 -0.241) 34.999 10.025 ( -24.648 10.564 0.557) 26.822 10.478 ( -16.797 1.549 1.221) 16.912 10.740 ( -15.653 0.976 1.164) 15.727 11.776 ( -13.120 2.536 3.691) 13.863 11.850 ( -2.435 3.578 -0.356) 4.342 11.963 ( -6.913 1.970 6.591) 9.752 12.045 ( -9.555 2.187 -0.035) 9.803 12.311 ( -3.983 -3.972 -2.200) 6.041 12.501 ( -7.561 -3.761 -4.564) 9.599 13.065 ( -3.057 1.694 -2.846) 4.507 13.346 ( -7.530 -1.114 -3.963) 8.582 13.481 ( -3.048 -4.281 0.585) 5.288 13.629 ( -1.616 -8.019 -8.030) 11.463 13.726 ( 0.480 0.010 -0.494) 0.689 13.932 ( 0.544 0.496 1.032) 1.268 14.027 ( 0.630 0.137 1.817) 1.929 14.058 ( 1.118 0.278 0.662) 1.329 14.080 ( 4.910 1.175 0.590) 5.083 14.170 ( 2.604 2.011 0.778) 3.380 16.682 ( -2.764 -2.650 -1.759) 4.213 16.796 ( -3.866 -0.788 0.631) 3.996 16.943 ( 2.071 -0.190 -0.117) 2.083 17.138 ( -0.152 2.059 -0.502) 2.125 17.245 ( -0.321 0.372 -2.610) 2.656 17.279 ( 3.070 0.791 -0.347) 3.189 17.382 ( 2.979 0.284 0.616) 3.055 17.404 ( 1.981 0.456 0.853) 2.205 17.671 ( -7.367 -1.103 -2.051) 7.727 17.734 ( -2.824 -2.377 0.196) 3.697 17.840 ( -4.230 0.586 1.072) 4.403 17.946 ( -6.102 -2.999 -0.555) 6.822 18.178 ( -4.746 -2.298 0.846) 5.340 18.289 ( -6.559 -0.100 0.095) 6.560 18.332 ( -6.972 -0.843 -0.085) 7.024 18.499 ( -6.159 -2.770 0.175) 6.756 19.223 ( -3.609 2.662 1.350) 4.683 19.260 ( -0.152 -2.228 -4.553) 5.071 19.633 ( -2.105 -7.400 0.679) 7.724 19.918 ( 1.637 0.874 3.587) 4.038 19.974 ( -0.094 -1.456 1.700) 2.240 20.194 ( 2.406 2.805 -2.441) 4.429 20.208 ( 3.453 3.316 -0.621) 4.828 20.344 ( 3.517 1.366 -0.232) 3.780 ======================= Grid point 60 (27/100) ======================= q-point: (-0.43 0.14 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.979 ( -2.988 40.469 5.176) 40.908 3.327 ( -25.382 39.228 -3.285) 46.839 3.735 ( 15.448 -1.646 -3.060) 15.834 3.983 ( 32.851 4.062 -0.995) 33.116 4.192 ( 8.120 6.350 -3.560) 10.906 4.392 ( -1.884 6.209 -3.379) 7.316 4.571 ( 1.290 15.759 -17.644) 23.692 4.860 ( 8.126 5.252 -1.824) 9.846 5.030 ( -4.817 28.165 -0.408) 28.577 5.078 ( -6.587 27.048 0.357) 27.841 5.207 ( -1.075 4.253 3.637) 5.698 5.508 ( 2.139 3.552 7.818) 8.850 5.558 ( -1.972 10.266 1.300) 10.534 5.728 ( 1.393 3.361 0.709) 3.707 5.843 ( -4.177 -3.229 -6.461) 8.344 6.064 ( -0.427 7.513 -7.450) 10.589 6.167 ( 1.939 -2.145 9.402) 9.837 6.217 ( 3.659 7.575 -4.160) 9.385 6.482 ( -4.480 -3.641 -6.342) 8.576 6.763 ( -1.733 4.560 14.124) 14.942 6.981 ( -16.465 23.400 13.640) 31.697 7.532 ( 6.179 5.505 6.311) 10.407 7.605 ( 13.319 -4.067 9.723) 16.985 7.979 ( 9.938 -2.578 -4.924) 11.386 8.191 ( 17.793 -6.426 5.714) 19.762 8.491 ( 13.291 -9.234 8.880) 18.460 8.948 ( -14.193 5.136 -2.090) 15.238 9.166 ( -13.610 4.734 -3.456) 14.819 9.565 ( 11.008 -24.583 -13.817) 30.272 9.899 ( 6.198 -21.164 -5.677) 22.772 10.374 ( -4.205 -7.025 4.156) 9.182 10.643 ( -7.567 -10.426 0.849) 12.910 11.668 ( -5.510 -3.781 2.661) 7.193 11.834 ( 3.078 -1.420 1.923) 3.897 11.966 ( -1.310 -3.810 4.127) 5.767 12.025 ( -0.255 -10.773 2.322) 11.023 12.240 ( -10.950 -2.543 -1.107) 11.296 12.478 ( -1.585 -6.422 -6.673) 9.396 12.983 ( -3.545 1.521 -1.419) 4.110 13.194 ( -8.078 -0.419 -3.403) 8.776 13.499 ( -1.533 -3.451 -1.617) 4.108 13.716 ( -0.159 -2.409 -1.577) 2.884 13.760 ( 2.069 -6.545 -4.428) 8.169 13.950 ( 1.143 -0.581 0.935) 1.587 14.032 ( -0.192 0.844 0.990) 1.316 14.074 ( 2.379 1.668 0.408) 2.934 14.121 ( 2.056 0.638 1.185) 2.457 14.165 ( 1.109 2.431 1.284) 2.965 16.683 ( -2.016 -3.364 -1.627) 4.246 16.779 ( -2.270 -2.440 1.606) 3.699 16.974 ( 3.315 1.454 -0.061) 3.621 17.100 ( -0.860 1.884 -0.288) 2.091 17.185 ( -3.575 1.260 -3.300) 5.025 17.284 ( 1.498 2.826 -0.482) 3.235 17.381 ( 1.715 4.126 0.884) 4.554 17.426 ( 0.517 0.262 -0.818) 1.003 17.621 ( -3.551 -5.189 -1.386) 6.439 17.788 ( 1.975 -5.776 -0.787) 6.155 17.818 ( -2.057 -3.079 0.837) 3.797 17.966 ( -1.698 -7.060 0.234) 7.265 18.166 ( -3.222 -3.659 0.766) 4.936 18.285 ( -0.819 -7.193 -0.861) 7.290 18.323 ( -1.072 -5.168 1.241) 5.422 18.498 ( -3.066 -6.215 0.286) 6.937 19.172 ( -2.531 -0.939 1.936) 3.322 19.301 ( 2.671 -3.493 -3.482) 5.609 19.675 ( -3.995 -2.608 2.236) 5.268 19.938 ( -1.016 -3.274 2.374) 4.170 20.000 ( 1.542 1.732 -0.682) 2.417 20.170 ( 1.658 2.777 -2.549) 4.118 20.210 ( 3.510 3.188 0.116) 4.743 20.357 ( 2.482 2.522 -0.711) 3.610 ======================= Grid point 61 (28/100) ======================= q-point: (-0.29 0.14 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.390 ( -13.859 47.550 3.091) 49.625 2.400 ( -1.427 43.707 16.735) 46.823 3.811 ( -21.079 54.656 19.167) 61.635 3.844 ( 3.839 8.105 -4.692) 10.122 4.160 ( 13.500 23.926 -8.560) 28.774 4.233 ( 5.252 8.790 2.416) 10.521 4.275 ( 3.413 6.784 2.107) 7.881 4.600 ( 17.233 -5.169 -12.412) 21.857 4.821 ( 5.283 13.043 -2.169) 14.239 4.999 ( -6.567 14.340 6.137) 16.924 5.069 ( 6.866 11.322 -11.433) 17.494 5.387 ( -0.518 11.550 6.772) 13.398 5.519 ( -0.884 5.189 0.692) 5.309 5.575 ( -10.780 6.405 -3.974) 13.154 5.767 ( -7.519 11.559 1.432) 13.863 5.857 ( 7.700 10.384 -0.783) 12.951 6.140 ( 2.837 9.528 0.321) 9.947 6.233 ( -11.080 -0.634 5.236) 12.272 6.422 ( -11.951 9.983 10.119) 18.571 6.474 ( -13.581 8.901 8.799) 18.469 6.571 ( -9.361 -3.464 9.310) 13.650 7.037 ( -3.923 27.617 -15.794) 32.055 7.909 ( -7.377 13.241 -1.822) 15.266 7.984 ( 4.927 2.785 -5.043) 7.580 8.438 ( 1.974 -4.043 -1.617) 4.781 8.532 ( 2.005 5.664 -2.050) 6.348 8.779 ( -14.990 -10.514 -8.786) 20.309 9.166 ( 6.206 -12.791 15.458) 21.001 10.085 ( 11.299 -20.095 -12.848) 26.393 10.348 ( 14.416 -21.341 -8.779) 27.209 10.583 ( 2.702 -15.891 8.056) 18.020 10.832 ( 2.339 -18.987 2.481) 19.291 11.745 ( 1.224 -8.806 -0.854) 8.932 11.972 ( 6.390 -3.527 2.647) 7.764 12.047 ( -0.773 -3.513 0.095) 3.599 12.182 ( -2.824 -10.744 2.958) 11.496 12.254 ( 0.546 -15.588 3.362) 15.956 12.565 ( 1.938 -9.081 -4.147) 10.169 12.936 ( -1.206 -1.167 1.093) 2.003 13.136 ( -2.880 -2.474 1.660) 4.144 13.519 ( 0.053 -1.823 -2.006) 2.712 13.725 ( 0.236 -0.510 -0.338) 0.656 13.834 ( -0.251 -3.357 -3.378) 4.769 13.970 ( 0.742 1.194 0.827) 1.631 14.004 ( -0.288 2.649 -0.411) 2.696 14.069 ( 1.977 3.884 -0.848) 4.440 14.109 ( -0.808 2.526 0.541) 2.707 14.200 ( 0.572 -5.304 0.248) 5.340 16.709 ( -0.476 -3.767 -1.140) 3.964 16.817 ( -0.229 -3.828 2.657) 4.665 16.982 ( 2.526 3.695 -1.027) 4.592 17.060 ( -0.583 1.977 0.258) 2.077 17.110 ( -2.850 -0.498 -2.318) 3.707 17.242 ( 0.218 4.106 -0.430) 4.134 17.327 ( 0.003 5.244 -0.191) 5.248 17.388 ( -0.118 4.412 -0.562) 4.449 17.713 ( 0.801 -10.006 -0.418) 10.047 17.863 ( -0.907 -6.207 0.182) 6.275 17.943 ( 4.626 -7.914 -0.374) 9.174 18.058 ( -1.406 -7.347 0.193) 7.483 18.226 ( 0.207 -6.891 0.956) 6.960 18.406 ( 0.097 -8.799 -1.022) 8.859 18.437 ( 3.330 -6.772 1.411) 7.677 18.584 ( -0.617 -8.577 1.170) 8.678 19.198 ( -0.828 -4.325 2.403) 5.017 19.394 ( 4.383 -3.863 -2.027) 6.184 19.622 ( -5.219 1.163 2.269) 5.809 19.932 ( 1.065 6.411 -2.577) 6.991 20.022 ( -1.723 -6.996 0.543) 7.225 20.150 ( 1.293 1.010 -2.085) 2.653 20.208 ( 1.539 2.533 -0.331) 2.982 20.336 ( 1.050 3.176 -1.499) 3.666 ======================= Grid point 62 (29/100) ======================= q-point: (-0.14 0.14 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.662 ( 1.836 42.167 19.800) 46.621 1.893 ( -1.284 43.208 32.331) 53.980 2.848 ( 3.377 62.783 44.904) 77.262 3.859 ( 6.239 4.657 -3.300) 8.456 4.042 ( 10.563 13.150 1.823) 16.966 4.155 ( 3.676 6.383 7.154) 10.268 4.275 ( 5.568 10.357 -0.892) 11.793 4.573 ( 4.052 19.363 6.043) 20.685 4.701 ( -5.800 7.892 3.923) 10.551 4.906 ( 8.232 6.945 -15.196) 18.626 4.988 ( 8.135 2.905 -14.419) 16.809 5.119 ( 3.300 14.966 -8.618) 17.582 5.204 ( -13.814 10.117 -4.713) 17.759 5.395 ( 5.705 15.569 -0.545) 16.590 5.630 ( 13.708 15.991 5.005) 21.649 5.878 ( 3.379 2.024 5.809) 7.018 5.950 ( -14.692 14.770 4.782) 21.375 6.021 ( -5.892 4.922 10.115) 12.699 6.109 ( -9.651 -2.577 5.430) 11.370 6.350 ( 1.789 2.724 -6.781) 7.523 6.640 ( 3.262 2.152 -7.357) 8.331 6.905 ( -0.322 -11.793 6.327) 13.387 7.536 ( -12.052 12.565 -0.658) 17.422 7.746 ( -4.385 17.989 -14.287) 23.387 8.320 ( -9.140 4.900 -0.216) 10.373 8.512 ( 0.439 0.037 -17.444) 17.449 8.706 ( -16.453 -16.664 -13.395) 26.978 9.390 ( -3.878 -2.404 1.257) 4.732 10.396 ( 5.295 -12.155 1.488) 13.341 10.727 ( 6.505 -14.682 -8.389) 18.117 10.902 ( 2.975 -15.855 11.371) 19.737 11.168 ( 2.076 -16.975 4.802) 17.763 11.844 ( -1.019 -6.925 -4.105) 8.114 12.095 ( 7.642 -0.068 4.207) 8.724 12.180 ( 1.429 -9.725 4.465) 10.796 12.372 ( 0.010 -12.989 1.631) 13.091 12.467 ( -4.557 -14.652 2.555) 15.555 12.733 ( 4.819 -6.792 -1.834) 8.527 13.008 ( 1.903 -6.412 3.325) 7.469 13.173 ( 1.047 -1.300 4.851) 5.130 13.525 ( 1.405 1.434 -1.821) 2.711 13.742 ( 0.603 -1.189 -0.058) 1.334 13.826 ( -1.044 0.616 -2.355) 2.648 13.940 ( -0.415 3.101 -0.417) 3.156 13.958 ( -0.277 2.382 -0.691) 2.495 14.015 ( -1.325 3.819 0.797) 4.120 14.058 ( -0.456 2.820 -0.002) 2.857 14.284 ( -1.055 -6.540 -3.774) 7.624 16.761 ( 0.325 -3.613 -0.558) 3.670 16.896 ( 1.068 -2.748 1.978) 3.551 16.937 ( -0.504 1.037 -0.553) 1.279 17.038 ( 1.436 1.897 0.747) 2.494 17.113 ( 1.983 -0.911 -0.621) 2.268 17.179 ( -0.211 4.194 -0.286) 4.209 17.235 ( -1.777 5.094 -0.921) 5.473 17.313 ( 0.975 6.103 -0.111) 6.181 17.882 ( 0.597 -10.341 0.159) 10.360 17.950 ( -0.638 -6.821 -0.058) 6.851 18.104 ( -0.232 -5.909 -0.013) 5.913 18.121 ( 0.120 -5.284 0.013) 5.285 18.336 ( -0.522 -6.420 0.892) 6.503 18.506 ( -0.133 -5.890 1.585) 6.101 18.587 ( 2.689 -5.892 -0.264) 6.482 18.703 ( -1.879 -7.966 1.583) 8.336 19.279 ( 0.068 -5.429 2.602) 6.021 19.498 ( 4.233 -2.178 -0.595) 4.798 19.542 ( -4.690 0.636 1.233) 4.891 19.823 ( -1.071 5.536 -4.201) 7.031 20.095 ( 0.071 -3.820 0.006) 3.820 20.158 ( 1.005 -0.874 -1.709) 2.167 20.178 ( -1.058 1.085 -1.256) 1.968 20.284 ( -0.210 3.408 -2.324) 4.131 ======================= Grid point 65 (30/100) ======================= q-point: ( 0.29 0.29 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.105 ( 37.233 0.000 11.118) 38.857 3.770 ( 29.353 0.000 25.651) 38.982 4.137 ( 2.708 0.000 -9.908) 10.271 4.369 ( 5.252 0.000 -3.791) 6.477 4.589 ( 9.081 0.000 -13.337) 16.136 4.721 ( 6.474 0.000 -13.275) 14.770 4.887 ( 3.950 0.000 6.352) 7.480 4.990 ( 21.839 0.000 -9.256) 23.719 5.132 ( -5.068 -0.000 -3.506) 6.162 5.154 ( -2.876 -0.000 6.298) 6.923 5.211 ( 19.487 0.000 6.069) 20.410 5.343 ( -0.846 -0.000 4.164) 4.250 5.526 ( 30.431 0.000 4.714) 30.794 5.757 ( 12.369 0.000 -6.577) 14.009 5.835 ( 14.965 0.000 -4.801) 15.716 6.092 ( -0.706 -0.000 -0.815) 1.078 6.260 ( -7.443 -0.000 -12.950) 14.937 6.496 ( 7.301 0.000 -8.093) 10.900 6.515 ( 23.234 0.000 -3.905) 23.560 6.756 ( 22.603 0.000 22.957) 32.217 6.910 ( 36.243 0.000 -0.300) 36.244 6.953 ( 33.897 0.000 -12.882) 36.262 7.162 ( 25.877 0.000 8.486) 27.233 7.655 ( 8.779 0.000 -25.730) 27.186 8.028 ( 6.903 0.000 17.765) 19.059 8.253 ( 1.805 0.000 21.014) 21.092 8.279 ( -9.041 -0.000 1.233) 9.124 8.515 ( -1.315 -0.000 1.246) 1.812 10.112 ( -32.025 -0.000 2.264) 32.105 10.123 ( -20.273 -0.000 9.782) 22.510 10.635 ( -29.852 -0.000 -1.335) 29.882 10.694 ( -30.139 -0.000 -1.593) 30.181 11.882 ( -18.937 -0.000 -1.268) 18.979 11.897 ( -15.852 -0.000 0.404) 15.857 11.971 ( -11.607 -0.000 5.374) 12.790 12.118 ( -15.384 -0.000 1.147) 15.427 12.201 ( -3.499 -0.000 -5.596) 6.600 12.459 ( -3.734 -0.000 -1.434) 4.000 13.139 ( 0.356 0.000 -8.703) 8.710 13.259 ( -1.506 -0.000 -2.471) 2.893 13.403 ( -2.728 -0.000 9.104) 9.504 13.512 ( -9.071 -0.000 -9.888) 13.418 13.722 ( -0.180 -0.000 -0.884) 0.902 13.961 ( 1.142 0.000 1.799) 2.131 14.012 ( -2.787 -0.000 0.648) 2.862 14.051 ( 0.753 0.000 0.342) 0.827 14.107 ( 6.576 0.000 -0.061) 6.576 14.206 ( 4.574 0.000 0.116) 4.575 16.641 ( -3.226 -0.000 -1.299) 3.478 16.784 ( -5.032 -0.000 -0.190) 5.035 16.933 ( 2.399 0.000 1.017) 2.606 17.196 ( 0.426 0.000 -2.652) 2.686 17.230 ( 0.705 0.000 -2.060) 2.178 17.291 ( 4.491 0.000 -0.695) 4.544 17.348 ( 2.764 0.000 2.041) 3.436 17.443 ( 3.304 0.000 1.088) 3.478 17.644 ( -10.363 -0.000 -2.516) 10.664 17.701 ( -4.492 -0.000 1.756) 4.823 17.859 ( -8.801 -0.000 1.163) 8.878 17.890 ( -9.433 -0.000 -1.740) 9.592 18.143 ( -7.276 -0.000 1.616) 7.453 18.296 ( -9.859 -0.000 -1.033) 9.913 18.322 ( -11.834 -0.000 0.446) 11.842 18.448 ( -9.692 -0.000 -0.062) 9.693 19.219 ( -1.882 -0.000 -4.869) 5.220 19.356 ( -0.012 -0.000 1.552) 1.552 19.429 ( -4.144 -0.000 -0.445) 4.168 19.912 ( -6.655 -0.000 3.083) 7.334 19.974 ( 8.145 0.000 4.741) 9.424 20.240 ( 2.618 0.000 -3.133) 4.083 20.263 ( 3.064 0.000 -1.225) 3.299 20.364 ( 4.789 0.000 -0.291) 4.798 ======================= Grid point 66 (31/100) ======================= q-point: ( 0.43 0.29 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.674 ( 32.393 -0.712 4.165) 32.668 3.965 ( 2.196 21.734 -6.264) 22.725 4.108 ( 16.664 10.837 10.594) 22.525 4.318 ( 3.676 9.541 -4.939) 11.355 4.494 ( -8.744 22.337 2.840) 24.155 4.563 ( -0.249 5.920 -9.238) 10.975 4.837 ( 8.998 4.072 0.361) 9.883 5.037 ( -2.562 -1.894 2.874) 4.290 5.136 ( 4.233 -3.738 -14.595) 15.649 5.286 ( 9.199 2.079 -3.520) 10.066 5.388 ( 0.284 -6.937 -0.627) 6.971 5.500 ( 9.734 -6.198 -1.758) 11.673 5.876 ( 13.030 9.058 0.427) 15.875 5.896 ( -8.469 4.713 -2.439) 9.995 5.983 ( 3.246 -0.701 -5.952) 6.816 6.131 ( 10.446 7.405 2.672) 13.081 6.258 ( 18.138 -6.209 10.268) 21.748 6.560 ( 16.964 13.340 -0.329) 21.583 6.790 ( 28.923 12.468 4.672) 31.841 6.964 ( 20.883 31.359 -16.602) 41.172 7.169 ( 14.622 -4.104 14.954) 21.313 7.443 ( 22.103 0.089 -0.683) 22.113 7.704 ( 22.591 -5.819 12.456) 26.445 7.933 ( 5.357 1.011 8.024) 9.701 8.121 ( 5.535 -9.295 7.658) 13.254 8.276 ( 22.998 -28.252 -19.228) 41.192 8.341 ( 2.788 11.293 12.305) 16.933 8.831 ( 3.669 -30.362 0.920) 30.597 9.557 ( -36.018 7.541 1.547) 36.831 9.774 ( -31.866 11.886 0.718) 34.018 10.134 ( -25.364 -7.135 1.355) 26.383 10.342 ( -29.668 -10.746 -3.438) 31.741 11.579 ( -15.320 0.626 0.018) 15.333 11.749 ( -12.454 -7.013 0.546) 14.303 11.856 ( -8.717 -2.682 4.325) 10.093 11.903 ( -10.758 1.602 1.370) 10.963 12.171 ( -3.397 -2.545 -1.713) 4.577 12.386 ( -3.921 0.390 -4.840) 6.241 13.070 ( 0.499 4.301 -4.678) 6.374 13.213 ( -5.505 0.724 -6.792) 8.772 13.392 ( -3.353 -4.469 -2.449) 6.100 13.460 ( -0.871 -6.694 1.740) 6.971 13.731 ( 0.780 -0.492 0.381) 0.997 13.952 ( -0.354 1.354 1.038) 1.742 14.010 ( -1.337 -1.942 1.800) 2.966 14.072 ( 0.901 -0.224 1.325) 1.618 14.180 ( 4.973 1.414 -0.737) 5.223 14.245 ( 2.625 1.848 -0.492) 3.248 16.611 ( -1.966 -1.450 -0.292) 2.460 16.730 ( -3.583 -0.902 1.299) 3.916 16.978 ( 2.975 -0.375 0.119) 3.001 17.169 ( 0.538 2.513 -1.599) 3.027 17.222 ( -1.234 -0.025 -3.107) 3.343 17.334 ( 2.976 0.923 -1.180) 3.332 17.388 ( 0.248 -1.278 1.349) 1.875 17.456 ( -0.443 1.577 -0.059) 1.640 17.517 ( -6.656 -2.745 -2.067) 7.491 17.671 ( -2.166 -1.676 -0.135) 2.742 17.765 ( -5.180 -1.247 0.436) 5.345 17.791 ( -6.420 -3.887 -0.229) 7.509 18.072 ( -4.785 -1.679 0.854) 5.142 18.168 ( -8.934 -0.967 1.122) 9.056 18.189 ( -7.488 -3.604 -0.107) 8.311 18.335 ( -8.630 -3.941 -0.472) 9.498 19.187 ( -1.206 -0.122 -1.903) 2.256 19.287 ( 1.057 4.459 -0.738) 4.642 19.493 ( -1.567 -8.387 1.743) 8.709 19.847 ( -6.219 -1.349 5.280) 8.269 20.072 ( 4.727 1.363 -0.505) 4.946 20.255 ( 2.910 2.099 -1.730) 3.983 20.285 ( 2.789 1.553 -1.472) 3.515 20.413 ( 3.504 1.153 -1.168) 3.869 ======================= Grid point 67 (32/100) ======================= q-point: (-0.43 0.29 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.522 ( -1.739 34.038 2.876) 34.203 3.704 ( -6.530 40.871 9.765) 42.525 4.036 ( 19.302 8.945 -0.489) 21.280 4.358 ( 11.992 0.558 -0.235) 12.007 4.426 ( -2.031 4.955 -1.330) 5.518 4.530 ( 20.166 2.661 1.718) 20.413 4.789 ( 6.112 15.993 -3.920) 17.564 5.039 ( -3.734 0.040 6.741) 7.706 5.193 ( 7.886 -2.254 -10.853) 13.604 5.268 ( -7.534 3.824 -4.446) 9.547 5.414 ( 8.147 14.842 -4.318) 17.473 5.574 ( -6.607 14.433 0.224) 15.875 5.672 ( -0.017 10.634 -3.413) 11.168 5.758 ( -4.640 9.997 3.643) 11.608 5.983 ( 11.426 7.249 6.416) 14.976 6.038 ( 1.646 5.260 0.525) 5.537 6.351 ( 7.083 13.257 5.244) 15.919 6.548 ( 0.873 15.557 -4.763) 16.293 6.696 ( 17.987 26.147 0.767) 31.746 7.077 ( 13.376 21.502 8.335) 26.659 7.214 ( -13.410 28.471 14.548) 34.671 7.633 ( 15.990 -15.087 9.920) 24.118 7.808 ( 0.003 15.751 -5.379) 16.644 8.038 ( 2.866 0.339 -4.234) 5.124 8.256 ( 0.191 -7.937 5.230) 9.507 8.582 ( 12.509 -7.348 -1.018) 14.543 8.771 ( -15.858 3.496 -3.589) 16.630 8.968 ( -19.650 3.633 -1.565) 20.044 9.266 ( 14.939 -29.747 -16.351) 37.086 9.546 ( 4.868 -33.972 -6.683) 34.964 10.085 ( -14.090 -16.829 0.223) 21.949 10.218 ( -17.948 -24.300 4.061) 30.481 11.478 ( -6.763 -7.861 1.274) 10.448 11.768 ( -7.406 -14.199 2.117) 16.154 11.827 ( -2.831 -3.807 2.314) 5.278 11.875 ( -3.280 -8.985 4.527) 10.582 12.114 ( -4.111 2.606 0.134) 4.869 12.349 ( -0.052 -4.786 -5.237) 7.094 13.008 ( 0.922 4.582 0.380) 4.689 13.099 ( -2.249 0.895 -2.514) 3.490 13.433 ( 0.015 -4.144 -0.812) 4.223 13.590 ( 1.463 -9.880 -3.977) 10.750 13.751 ( 0.765 -0.092 1.188) 1.416 13.955 ( 0.364 -1.034 1.163) 1.598 14.019 ( -1.682 -1.022 1.563) 2.513 14.089 ( -0.162 -0.418 1.374) 1.445 14.198 ( 2.662 3.066 -1.379) 4.288 14.226 ( 0.617 3.332 -1.042) 3.545 16.621 ( -0.200 -2.184 0.135) 2.197 16.725 ( -1.718 -2.344 3.405) 4.476 17.022 ( 1.849 -0.793 -0.674) 2.122 17.122 ( -0.998 3.110 -2.296) 3.992 17.167 ( -0.410 2.969 -1.349) 3.287 17.340 ( 1.640 2.223 -1.346) 3.074 17.411 ( -0.464 -0.210 -1.579) 1.659 17.430 ( -0.607 -3.296 0.207) 3.358 17.501 ( -1.586 -1.832 0.070) 2.424 17.701 ( -0.693 -6.634 -2.159) 7.011 17.740 ( -2.193 -2.699 0.489) 3.512 17.824 ( -2.101 -7.664 0.485) 7.962 18.058 ( -3.523 -4.057 0.985) 5.463 18.143 ( -2.236 -7.389 -0.598) 7.743 18.207 ( -2.579 -8.020 1.577) 8.571 18.332 ( -3.992 -8.522 -0.352) 9.417 19.155 ( -1.433 1.179 2.963) 3.496 19.307 ( 5.141 -1.409 -3.142) 6.188 19.579 ( -2.837 -4.933 3.140) 6.500 19.834 ( -4.130 -4.396 5.078) 7.885 20.067 ( 0.718 2.405 -4.712) 5.339 20.229 ( 1.594 4.109 -3.557) 5.663 20.292 ( 2.138 2.562 0.172) 3.341 20.418 ( 1.623 2.281 -1.922) 3.395 ======================= Grid point 68 (33/100) ======================= q-point: (-0.29 0.29 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.946 ( 0.657 43.665 5.839) 44.058 3.152 ( -1.058 41.978 19.670) 46.370 4.099 ( 13.156 12.297 -1.258) 18.052 4.262 ( -9.172 5.599 4.874) 11.800 4.445 ( 1.810 14.872 4.903) 15.764 4.604 ( 13.055 16.024 -0.296) 20.671 4.725 ( -0.913 41.816 12.628) 43.691 4.851 ( 20.749 8.095 -2.526) 22.415 5.003 ( -2.664 2.916 3.349) 5.178 5.171 ( -11.624 4.689 -1.684) 12.646 5.203 ( 0.449 5.084 -8.406) 9.834 5.352 ( 5.743 13.966 -7.133) 16.700 5.492 ( -4.927 7.030 2.702) 9.000 5.736 ( 6.667 10.531 -2.820) 12.779 6.008 ( 11.022 12.060 0.512) 16.346 6.085 ( -0.376 2.556 7.727) 8.148 6.161 ( -7.974 9.781 4.005) 13.240 6.347 ( 1.207 2.985 4.493) 5.527 6.533 ( 0.478 26.614 7.262) 27.591 6.640 ( -10.373 27.859 13.096) 32.485 6.742 ( -2.880 28.274 7.625) 29.425 7.343 ( 3.836 24.682 -20.346) 32.216 7.888 ( -15.309 10.548 -0.088) 18.591 7.956 ( -2.415 -7.147 -8.627) 11.460 8.291 ( -14.388 -11.574 -2.250) 18.602 8.424 ( -9.329 9.067 -13.690) 18.885 8.553 ( 1.627 -1.006 -13.339) 13.475 9.109 ( 3.437 -14.563 9.238) 17.585 9.879 ( 15.590 -25.290 -10.250) 31.428 10.113 ( 8.717 -28.285 -9.999) 31.241 10.246 ( -6.767 -27.719 -0.019) 28.533 10.495 ( -5.146 -28.579 8.559) 30.274 11.582 ( -0.879 -11.211 0.273) 11.249 11.899 ( -3.190 -7.826 1.183) 8.534 11.930 ( -4.363 -17.518 0.830) 18.072 12.007 ( -3.531 -10.871 4.894) 12.434 12.091 ( 4.129 -2.732 3.506) 6.067 12.480 ( 6.181 -8.630 -0.472) 10.626 12.973 ( 1.768 3.345 3.846) 5.395 13.127 ( 4.489 -1.487 2.958) 5.578 13.492 ( 1.746 -2.770 -0.842) 3.381 13.702 ( 1.086 -4.898 -3.557) 6.150 13.775 ( 0.906 -1.656 -0.706) 2.015 13.987 ( -0.287 -0.579 1.903) 2.010 14.005 ( -1.236 -0.227 -0.925) 1.560 14.100 ( -1.035 -2.249 0.664) 2.563 14.154 ( -0.072 4.482 -1.814) 4.836 14.166 ( -1.029 3.501 -1.169) 3.832 16.667 ( 1.553 -2.617 0.260) 3.054 16.780 ( 0.155 -3.746 5.319) 6.508 17.018 ( -3.806 0.647 -3.824) 5.434 17.060 ( 1.947 1.791 0.001) 2.646 17.138 ( 2.648 2.880 -0.397) 3.932 17.305 ( 0.502 3.988 -0.339) 4.034 17.363 ( -1.509 2.948 -2.602) 4.211 17.461 ( 1.286 3.429 0.099) 3.664 17.570 ( 0.781 -10.191 0.407) 10.229 17.761 ( -0.687 -5.353 -1.149) 5.518 17.846 ( 1.136 -10.345 -0.234) 10.410 17.913 ( -1.754 -8.158 -0.326) 8.350 18.120 ( -0.313 -7.496 1.074) 7.579 18.260 ( 0.336 -9.730 -1.319) 9.825 18.347 ( 0.208 -11.227 2.709) 11.551 18.439 ( -0.238 -9.453 0.228) 9.459 19.164 ( 0.056 -1.478 4.339) 4.584 19.417 ( 6.863 -2.959 -2.102) 7.764 19.565 ( -5.285 0.180 3.295) 6.231 19.901 ( -1.735 -6.369 1.742) 6.827 19.994 ( -0.924 3.078 -4.998) 5.942 20.174 ( 0.717 2.509 -3.877) 4.674 20.260 ( -0.242 3.741 -0.490) 3.781 20.378 ( -0.279 3.009 -2.438) 3.883 ======================= Grid point 69 (34/100) ======================= q-point: (-0.14 0.29 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.469 ( 14.348 40.671 11.740) 44.697 2.605 ( -2.730 41.415 25.829) 48.885 3.998 ( -5.577 8.782 4.248) 11.237 4.095 ( 10.555 16.966 2.634) 20.154 4.203 ( 9.402 27.933 20.904) 36.134 4.373 ( 4.226 20.869 8.283) 22.847 4.617 ( 13.996 14.365 0.254) 20.058 4.793 ( -4.870 8.952 -7.004) 12.365 4.809 ( -2.595 9.930 -5.059) 11.443 5.039 ( -15.241 0.722 10.585) 18.570 5.141 ( 3.112 12.070 -0.580) 12.479 5.239 ( 12.997 7.038 -3.874) 15.280 5.348 ( 2.467 6.795 0.176) 7.232 5.600 ( 5.572 7.794 -15.690) 18.384 5.890 ( -4.195 10.048 7.590) 13.273 5.972 ( 8.730 11.726 2.403) 14.815 6.065 ( -1.259 15.683 -4.972) 16.501 6.225 ( -0.323 14.566 5.190) 15.466 6.289 ( 13.700 16.608 19.432) 29.002 6.496 ( 3.957 -5.509 12.278) 14.027 6.629 ( 5.217 2.580 8.786) 10.539 7.064 ( 10.437 16.701 -22.946) 30.238 7.460 ( -19.291 11.272 -2.424) 22.474 7.865 ( -2.217 5.132 -16.161) 17.101 7.979 ( -16.154 4.773 -16.954) 23.899 8.304 ( -10.546 -7.013 -8.808) 15.426 8.449 ( -3.162 1.782 -14.964) 15.398 9.302 ( -0.961 -3.477 1.314) 3.839 10.298 ( 5.676 -13.498 0.553) 14.653 10.449 ( -4.465 -21.645 -6.518) 23.042 10.615 ( -3.869 -28.165 8.368) 29.635 10.862 ( -3.665 -24.715 2.696) 25.131 11.706 ( -0.279 -7.886 -0.930) 7.946 11.998 ( -4.570 -12.299 3.711) 13.635 12.117 ( -5.313 -17.077 -1.199) 17.925 12.150 ( -2.749 -12.707 2.807) 13.300 12.227 ( 3.316 -2.162 4.553) 6.033 12.705 ( 5.184 -7.277 1.649) 9.086 13.016 ( 3.079 -1.320 5.380) 6.338 13.256 ( 7.431 -0.044 5.332) 9.147 13.549 ( 2.414 -1.041 -0.157) 2.634 13.744 ( 1.134 -0.957 -0.447) 1.549 13.799 ( 0.525 -1.202 -4.056) 4.263 13.952 ( -2.405 1.491 0.160) 2.834 13.984 ( -0.240 1.957 -1.604) 2.541 14.057 ( -2.094 5.149 -1.374) 5.726 14.096 ( -0.845 2.547 -0.561) 2.742 14.141 ( -2.276 -5.507 -1.814) 6.229 16.732 ( 1.669 -2.243 0.440) 2.830 16.872 ( 0.426 -3.753 4.855) 6.151 16.932 ( -1.844 1.479 -2.712) 3.598 17.079 ( 1.759 0.202 0.770) 1.931 17.159 ( 4.064 0.422 -0.702) 4.146 17.243 ( -0.255 4.937 0.109) 4.945 17.275 ( -0.789 4.031 -2.295) 4.706 17.409 ( 0.792 5.021 -0.686) 5.129 17.743 ( 1.054 -9.616 1.088) 9.734 17.838 ( -0.463 -6.650 -1.285) 6.789 17.949 ( -4.881 -7.424 -0.012) 8.885 18.035 ( 0.998 -8.287 -0.501) 8.362 18.234 ( -0.414 -6.877 1.116) 6.980 18.385 ( -0.789 -8.163 -0.497) 8.216 18.507 ( -2.058 -9.457 2.637) 10.031 18.565 ( 0.136 -7.125 0.212) 7.130 19.228 ( 0.161 -3.521 3.738) 5.138 19.483 ( -5.255 1.185 1.237) 5.527 19.549 ( 6.793 -1.832 -0.274) 7.041 19.843 ( -2.666 4.103 -5.750) 7.550 20.035 ( 1.441 -5.689 0.419) 5.884 20.146 ( -0.436 0.240 -2.167) 2.223 20.187 ( -1.604 3.181 -0.883) 3.670 20.310 ( -1.018 2.941 -2.568) 4.035 ======================= Grid point 73 (35/100) ======================= q-point: ( 0.43 0.43 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.149 ( 27.524 0.000 1.594) 27.570 4.160 ( 6.390 0.000 -2.510) 6.865 4.397 ( 11.676 0.000 2.268) 11.894 4.424 ( 5.782 0.000 -1.380) 5.944 4.549 ( -2.324 -0.000 -7.386) 7.743 4.679 ( -9.371 -0.000 6.194) 11.232 4.691 ( -10.270 -0.000 10.460) 14.659 4.948 ( -13.109 -0.000 -7.961) 15.337 5.207 ( 12.800 0.000 12.632) 17.983 5.306 ( -3.302 -0.000 1.162) 3.501 5.349 ( 4.420 0.000 -7.776) 8.944 5.689 ( 13.819 0.000 1.003) 13.855 5.773 ( -1.913 -0.000 0.064) 1.914 5.988 ( 3.798 0.000 -9.147) 9.904 6.236 ( 15.346 0.000 -1.307) 15.402 6.420 ( 10.092 0.000 7.654) 12.666 6.511 ( 13.488 0.000 4.588) 14.247 6.931 ( 15.952 0.000 2.870) 16.208 7.259 ( 16.568 0.000 5.486) 17.452 7.349 ( 11.169 0.000 4.563) 12.065 7.548 ( 12.485 0.000 -11.864) 17.223 7.907 ( -2.401 -0.000 6.782) 7.194 7.921 ( 28.034 0.000 -4.811) 28.444 8.052 ( 4.374 0.000 5.604) 7.109 8.189 ( 33.603 0.000 5.797) 34.100 8.280 ( 24.508 0.000 -14.807) 28.634 8.398 ( -6.150 -0.000 4.332) 7.523 8.673 ( 4.334 0.000 3.640) 5.659 9.079 ( -37.404 -0.000 1.200) 37.423 9.463 ( -34.656 -0.000 3.522) 34.834 9.613 ( -33.383 -0.000 -7.364) 34.185 9.694 ( -28.033 -0.000 -3.938) 28.308 11.400 ( -9.497 -0.000 -1.133) 9.564 11.498 ( -10.304 -0.000 1.041) 10.356 11.727 ( -6.575 -0.000 2.030) 6.881 11.781 ( -7.647 -0.000 3.943) 8.604 12.160 ( 1.900 0.000 -0.739) 2.039 12.299 ( -4.053 -0.000 -6.087) 7.313 13.123 ( 3.782 0.000 -5.362) 6.561 13.154 ( -1.513 -0.000 -7.358) 7.512 13.273 ( 0.633 0.000 -3.137) 3.200 13.442 ( -1.895 -0.000 10.475) 10.646 13.743 ( 1.190 0.000 0.752) 1.408 13.963 ( -1.735 -0.000 2.503) 3.046 13.978 ( -0.445 -0.000 0.295) 0.534 14.086 ( 0.268 0.000 1.099) 1.131 14.243 ( 2.968 0.000 -1.635) 3.389 14.279 ( 0.875 0.000 -1.423) 1.670 16.589 ( -0.054 -0.000 1.592) 1.593 16.693 ( -1.931 -0.000 2.964) 3.537 17.005 ( 1.487 0.000 -2.502) 2.910 17.176 ( -1.612 -0.000 -1.843) 2.449 17.214 ( 2.242 0.000 -1.557) 2.730 17.348 ( -3.596 -0.000 -0.952) 3.719 17.380 ( -0.352 -0.000 1.594) 1.632 17.395 ( 0.509 0.000 -2.671) 2.719 17.484 ( -0.403 -0.000 0.299) 0.502 17.611 ( -2.589 -0.000 -2.948) 3.923 17.686 ( -3.374 -0.000 0.851) 3.479 17.705 ( -2.040 -0.000 0.384) 2.076 18.030 ( -8.127 -0.000 1.795) 8.323 18.032 ( -0.982 -0.000 0.668) 1.188 18.072 ( -3.940 -0.000 -0.159) 3.943 18.178 ( -6.790 -0.000 -1.509) 6.955 19.184 ( 1.473 0.000 -1.424) 2.049 19.353 ( -1.614 -0.000 2.534) 3.005 19.416 ( 3.242 0.000 1.278) 3.485 19.782 ( -5.939 -0.000 8.108) 10.050 20.096 ( 0.087 0.000 -6.831) 6.831 20.311 ( 1.371 0.000 -3.735) 3.979 20.322 ( 3.250 0.000 1.123) 3.438 20.453 ( 1.786 0.000 -2.316) 2.925 ======================= Grid point 74 (36/100) ======================= q-point: (-0.43 0.43 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.020 ( 4.957 27.887 5.729) 28.897 4.178 ( -6.954 27.905 10.646) 30.666 4.333 ( -13.013 2.472 -0.119) 13.247 4.456 ( 9.764 3.278 1.101) 10.359 4.549 ( 11.151 2.843 2.545) 11.785 4.683 ( -0.077 -3.077 -1.755) 3.543 4.776 ( -3.841 -4.948 0.077) 6.264 4.918 ( 4.483 -12.164 4.086) 13.593 5.162 ( -4.893 2.373 -6.437) 8.427 5.366 ( 6.067 5.717 8.833) 12.145 5.445 ( 2.467 -6.197 0.175) 6.672 5.748 ( 3.303 5.389 3.797) 7.373 5.848 ( 7.749 7.222 -8.217) 13.406 5.986 ( 7.162 5.499 4.148) 9.936 6.203 ( 0.138 20.572 4.726) 21.109 6.436 ( 4.752 14.221 2.079) 15.137 6.526 ( -6.006 8.223 7.694) 12.763 6.931 ( 8.210 25.921 0.025) 27.190 7.215 ( 3.117 18.433 1.311) 18.741 7.356 ( -10.851 -1.229 4.946) 11.988 7.505 ( -9.844 24.836 6.055) 27.393 7.860 ( 8.965 -2.748 -1.212) 9.454 7.916 ( -15.632 12.896 1.262) 20.304 8.063 ( 1.542 16.600 -2.855) 16.914 8.169 ( -7.199 8.664 -1.495) 11.364 8.557 ( -4.266 -5.159 -5.878) 8.909 8.601 ( -8.079 5.645 -5.049) 11.073 8.747 ( -0.921 -7.136 -8.977) 11.505 9.037 ( 5.963 -38.609 -8.818) 40.050 9.122 ( 19.697 -19.461 -6.838) 28.522 9.491 ( -17.758 -26.063 -1.374) 31.568 9.670 ( -0.942 -23.962 1.917) 24.057 11.347 ( 0.019 -3.067 1.301) 3.332 11.486 ( -3.704 -10.784 -1.015) 11.447 11.725 ( -1.483 -6.053 2.634) 6.766 11.759 ( -0.867 -2.511 3.485) 4.382 12.122 ( -1.305 1.943 -2.481) 3.411 12.308 ( 4.526 -2.899 -2.483) 5.920 13.095 ( 1.694 1.110 -2.796) 3.452 13.137 ( 4.395 4.105 -1.841) 6.290 13.370 ( 3.924 -4.927 1.484) 6.471 13.501 ( 0.571 -5.171 3.931) 6.521 13.768 ( 0.903 -0.157 2.058) 2.252 13.950 ( -0.483 -0.113 1.340) 1.429 13.982 ( -1.719 -1.302 0.936) 2.350 14.087 ( -0.707 0.138 0.753) 1.042 14.241 ( -0.569 1.598 -2.477) 3.002 14.263 ( 0.291 1.993 -1.722) 2.650 16.619 ( 1.902 -0.808 2.342) 3.123 16.705 ( -0.223 -1.219 5.205) 5.350 16.985 ( -2.613 -1.044 -4.462) 5.276 17.154 ( 1.075 2.421 -1.167) 2.895 17.215 ( 1.423 1.696 -1.665) 2.770 17.331 ( -0.429 -3.197 -0.716) 3.304 17.398 ( 0.866 -0.141 -1.055) 1.372 17.403 ( 1.696 1.279 0.483) 2.178 17.487 ( 0.248 -1.821 0.904) 2.048 17.591 ( -0.698 -3.526 -4.444) 5.715 17.698 ( -0.483 -3.240 0.296) 3.289 17.716 ( 0.390 -3.032 0.997) 3.216 17.972 ( -2.140 -2.258 0.517) 3.153 18.054 ( -0.290 -4.689 -0.251) 4.705 18.071 ( -0.328 -4.457 0.593) 4.509 18.185 ( 1.016 -6.804 -0.833) 6.929 19.193 ( 1.146 2.125 2.810) 3.705 19.359 ( 3.604 -0.612 0.831) 3.748 19.512 ( 1.525 -3.505 2.814) 4.747 19.759 ( -4.427 -2.076 8.480) 9.789 20.031 ( -3.063 0.067 -9.354) 9.843 20.277 ( 0.253 2.901 -5.027) 5.809 20.346 ( 0.970 1.689 -0.609) 2.041 20.443 ( -0.215 1.268 -2.349) 2.678 ======================= Grid point 75 (37/100) ======================= q-point: (-0.29 0.43 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.605 ( 2.317 35.389 4.199) 35.712 3.763 ( -0.648 34.984 15.044) 38.087 4.031 ( -25.452 1.085 -0.954) 25.493 4.421 ( -17.382 -8.078 -1.733) 19.245 4.517 ( -8.643 6.381 1.702) 10.877 4.634 ( 4.953 6.247 6.439) 10.248 4.814 ( 1.210 1.954 -9.881) 10.145 5.094 ( 6.469 7.585 2.545) 10.289 5.160 ( 4.986 4.198 1.996) 6.817 5.346 ( 2.726 6.526 7.027) 9.970 5.508 ( 3.082 4.968 6.441) 8.699 5.632 ( 1.804 15.611 -12.656) 20.177 5.746 ( 8.383 28.841 5.568) 30.546 5.838 ( -1.871 3.398 4.958) 6.295 6.106 ( -8.803 4.082 2.606) 10.047 6.156 ( -8.891 6.199 4.305) 11.662 6.373 ( 7.323 14.440 11.620) 19.929 6.696 ( 12.077 22.956 4.482) 26.323 6.829 ( -20.548 23.220 -2.235) 31.086 6.965 ( -9.889 27.506 16.777) 33.702 7.122 ( -4.885 19.079 9.492) 21.862 7.248 ( -23.073 4.855 -15.153) 28.028 7.760 ( -22.325 6.481 -3.623) 23.528 7.905 ( -0.735 0.687 0.173) 1.021 8.046 ( -10.564 -6.246 -7.644) 14.458 8.352 ( -11.111 3.819 -15.115) 19.145 8.577 ( 21.945 11.182 -13.020) 27.859 9.018 ( 11.871 -13.445 -0.436) 17.941 9.605 ( -2.217 -36.768 -5.487) 37.241 9.693 ( -8.657 -31.936 -1.371) 33.117 9.770 ( 16.970 -22.854 -1.842) 28.525 10.143 ( 14.087 -21.307 -2.825) 25.699 11.468 ( 3.555 -7.172 1.517) 8.147 11.647 ( 1.377 -13.855 -2.950) 14.232 11.801 ( 0.388 -1.951 0.130) 1.993 11.842 ( -1.063 -7.777 3.711) 8.682 12.157 ( 6.715 -2.343 1.822) 7.342 12.460 ( 6.643 -8.054 -0.146) 10.441 13.092 ( 2.257 5.131 3.915) 6.837 13.194 ( 6.180 -3.729 -1.234) 7.322 13.490 ( 3.670 -2.261 4.030) 5.901 13.625 ( 3.782 -6.095 -3.264) 7.881 13.787 ( 0.306 0.275 2.847) 2.876 13.964 ( -0.887 -1.531 -1.831) 2.546 13.969 ( -1.905 -0.692 2.459) 3.186 14.070 ( -1.342 0.303 0.358) 1.421 14.173 ( -2.390 2.662 -2.050) 4.123 14.209 ( -1.085 3.695 -1.739) 4.226 16.682 ( 3.397 -1.034 1.774) 3.969 16.768 ( 0.762 -2.769 6.816) 7.396 16.942 ( -2.697 -1.505 -4.057) 5.099 17.116 ( 0.736 3.108 -0.568) 3.244 17.203 ( 1.809 1.908 -2.470) 3.608 17.353 ( -0.836 0.787 -0.937) 1.482 17.364 ( -0.146 2.962 -2.067) 3.615 17.461 ( -0.408 -4.328 0.799) 4.420 17.525 ( 4.399 -1.204 -0.195) 4.565 17.665 ( 0.931 -6.772 -2.940) 7.441 17.746 ( -0.051 -4.150 0.398) 4.169 17.804 ( 2.816 -6.017 -0.098) 6.644 18.037 ( 2.518 -5.621 0.098) 6.160 18.164 ( 2.416 -7.675 -0.233) 8.049 18.200 ( 2.554 -8.677 1.831) 9.229 18.336 ( 4.005 -8.170 -0.250) 9.102 19.200 ( 1.304 1.615 5.484) 5.863 19.465 ( 4.845 -3.326 1.245) 6.008 19.537 ( -0.997 1.821 2.587) 3.317 19.812 ( -0.774 -5.211 4.318) 6.812 19.939 ( -3.908 -1.203 -7.857) 8.857 20.205 ( 0.106 3.452 -4.887) 5.984 20.296 ( -1.422 3.434 -2.267) 4.354 20.391 ( -1.746 2.486 -1.995) 3.634 ======================= Grid point 76 (38/100) ======================= q-point: (-0.14 0.43 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.199 ( 2.522 30.539 11.332) 32.671 3.315 ( 11.875 39.577 6.429) 41.817 3.605 ( -30.685 -4.266 -4.267) 31.272 4.304 ( -30.455 -24.598 5.257) 39.499 4.322 ( -2.908 9.539 -2.557) 10.295 4.541 ( -4.932 9.071 0.927) 10.366 4.707 ( 2.027 5.586 -14.621) 15.783 4.946 ( 0.375 15.164 0.965) 15.199 4.955 ( -4.843 15.330 -0.816) 16.097 5.297 ( -8.754 9.838 -1.044) 13.210 5.394 ( 8.178 11.541 6.774) 15.683 5.473 ( 0.082 16.256 4.490) 16.865 5.633 ( 0.750 -1.383 -7.901) 8.056 5.676 ( 16.850 16.773 15.848) 28.572 5.917 ( -9.449 8.254 7.858) 14.804 6.158 ( -4.384 -4.604 1.282) 6.485 6.234 ( 1.348 16.109 -2.863) 16.417 6.394 ( -10.714 0.729 0.316) 10.744 6.634 ( 1.646 10.900 16.154) 19.557 6.780 ( 17.161 9.902 2.853) 20.017 6.904 ( 0.932 11.331 11.181) 15.946 7.062 ( 10.349 8.258 3.717) 13.752 7.308 ( -21.186 7.143 -6.486) 23.279 7.784 ( -22.059 -6.301 -10.609) 25.275 7.974 ( 2.512 2.528 1.235) 3.772 8.056 ( -2.062 10.108 -15.362) 18.505 8.656 ( 26.762 18.975 -15.694) 36.367 9.310 ( 7.445 -5.697 0.739) 9.404 9.889 ( -18.411 -28.972 -0.671) 34.334 10.004 ( -5.797 -24.654 -3.171) 25.524 10.290 ( 7.479 -20.846 1.650) 22.209 10.553 ( 7.500 -15.660 -2.297) 17.515 11.621 ( 2.467 -6.654 1.535) 7.261 11.820 ( -3.181 -5.670 0.380) 6.513 11.859 ( 3.129 -9.873 -3.548) 10.948 11.951 ( -1.417 -8.434 3.057) 9.082 12.313 ( 6.574 -1.043 2.897) 7.259 12.665 ( 2.689 -7.435 0.376) 7.915 13.083 ( 1.612 2.202 4.388) 5.167 13.354 ( 5.871 -5.250 -0.797) 7.916 13.573 ( 1.956 -0.868 2.745) 3.481 13.719 ( 3.010 -2.463 -4.284) 5.786 13.796 ( 0.480 0.956 0.357) 1.128 13.931 ( -1.865 0.369 -0.035) 1.901 13.974 ( -0.835 -0.620 -1.695) 1.988 14.044 ( -1.933 0.955 -0.332) 2.182 14.093 ( -1.977 2.930 -0.884) 3.643 14.135 ( -0.978 1.992 0.831) 2.370 16.747 ( 2.499 -0.510 1.182) 2.811 16.851 ( -0.020 -2.746 4.743) 5.481 16.908 ( -0.867 0.068 -3.019) 3.142 17.105 ( 0.983 0.083 0.370) 1.054 17.201 ( 1.614 -0.166 -1.678) 2.334 17.291 ( -0.674 2.817 -3.120) 4.257 17.311 ( -0.485 3.392 0.368) 3.446 17.452 ( -1.125 1.278 -0.851) 1.904 17.672 ( 4.097 -6.199 0.641) 7.458 17.747 ( 1.160 -4.664 -2.570) 5.450 17.804 ( -1.741 -4.760 0.243) 5.075 17.947 ( 2.982 -6.114 -0.193) 6.805 18.164 ( 2.741 -4.991 0.433) 5.710 18.294 ( 1.451 -5.385 0.082) 5.578 18.352 ( -0.285 -7.406 1.790) 7.624 18.494 ( 2.903 -5.943 0.135) 6.615 19.227 ( 0.255 0.268 4.147) 4.163 19.446 ( -4.421 2.583 1.842) 5.441 19.628 ( 7.604 -2.532 0.702) 8.045 19.810 ( -2.832 0.319 -4.367) 5.215 19.975 ( 2.065 -6.320 0.371) 6.660 20.147 ( -0.426 2.367 -2.166) 3.236 20.204 ( -2.207 3.580 -1.771) 4.563 20.316 ( -1.565 2.254 -2.114) 3.463 ======================= Grid point 81 (39/100) ======================= q-point: (-0.43 -0.43 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.035 ( -30.584 -0.000 -2.075) 30.654 4.043 ( -26.119 -0.000 -7.871) 27.279 4.391 ( -7.626 -0.000 5.333) 9.305 4.419 ( -6.985 -0.000 1.213) 7.090 4.569 ( 8.896 0.000 2.032) 9.125 4.835 ( 7.752 0.000 11.225) 13.641 4.938 ( 8.454 0.000 -8.628) 12.079 4.958 ( 15.208 0.000 10.074) 18.243 5.149 ( -0.644 -0.000 4.698) 4.742 5.420 ( 9.352 0.000 -0.896) 9.395 5.502 ( 0.359 0.000 16.150) 16.154 5.864 ( -10.084 -0.000 9.906) 14.136 5.887 ( 1.221 0.000 -15.716) 15.763 6.116 ( 4.764 0.000 12.570) 13.443 6.243 ( -31.433 -0.000 -6.575) 32.113 6.356 ( -4.789 -0.000 -2.792) 5.544 6.713 ( 1.186 0.000 21.910) 21.942 7.025 ( -26.442 -0.000 -4.684) 26.854 7.217 ( -5.315 -0.000 8.448) 9.981 7.268 ( -11.916 -0.000 -2.541) 12.184 7.622 ( -10.300 -0.000 -1.576) 10.420 7.719 ( -0.895 -0.000 3.196) 3.319 7.786 ( -26.522 -0.000 -2.415) 26.631 8.004 ( -18.834 -0.000 -17.767) 25.891 8.134 ( -29.366 -0.000 2.893) 29.508 8.220 ( -18.433 -0.000 6.742) 19.627 8.476 ( -1.926 -0.000 -2.286) 2.989 8.754 ( -13.098 -0.000 4.002) 13.695 8.946 ( 33.143 0.000 -3.394) 33.316 9.027 ( 28.928 0.000 -12.477) 31.504 9.585 ( 31.301 0.000 -8.081) 32.327 9.662 ( 29.241 0.000 -7.373) 30.156 11.384 ( 3.467 0.000 -3.026) 4.602 11.417 ( 9.504 0.000 -0.100) 9.505 11.716 ( 4.041 0.000 2.982) 5.022 11.794 ( 5.697 0.000 1.571) 5.910 12.122 ( 2.764 0.000 -1.737) 3.264 12.340 ( 4.355 0.000 -4.087) 5.973 13.066 ( 0.881 0.000 -7.802) 7.852 13.257 ( 6.300 0.000 0.243) 6.305 13.466 ( -2.608 -0.000 6.447) 6.954 13.486 ( 11.079 0.000 6.286) 12.738 13.792 ( 0.683 0.000 2.823) 2.905 13.947 ( -1.367 -0.000 -1.343) 1.917 13.951 ( -0.836 -0.000 2.554) 2.687 14.077 ( -1.081 -0.000 0.461) 1.175 14.213 ( -2.855 -0.000 -2.532) 3.816 14.264 ( -1.048 -0.000 -2.025) 2.280 16.668 ( 3.506 0.000 3.861) 5.215 16.732 ( 1.117 0.000 6.575) 6.669 16.906 ( -3.136 -0.000 -5.281) 6.142 17.196 ( 1.863 0.000 -2.071) 2.786 17.219 ( 0.120 0.000 -2.434) 2.437 17.313 ( 1.123 0.000 -1.008) 1.509 17.397 ( -0.340 -0.000 -1.293) 1.338 17.434 ( -1.234 -0.000 0.381) 1.291 17.516 ( 7.000 0.000 2.797) 7.538 17.539 ( -0.171 -0.000 -6.043) 6.046 17.667 ( 1.153 0.000 0.046) 1.154 17.749 ( 4.038 0.000 1.763) 4.406 17.976 ( 5.064 0.000 -0.746) 5.119 17.987 ( 0.331 0.000 -0.642) 0.723 18.100 ( 5.592 0.000 0.948) 5.671 18.194 ( 7.224 0.000 -0.893) 7.279 19.257 ( 2.620 0.000 3.318) 4.228 19.394 ( 2.197 0.000 4.658) 5.150 19.560 ( 4.366 0.000 3.313) 5.481 19.730 ( -2.927 -0.000 9.168) 9.624 19.911 ( -5.884 -0.000 -12.018) 13.381 20.267 ( -0.693 -0.000 -5.623) 5.665 20.347 ( -1.105 -0.000 -4.294) 4.434 20.432 ( -1.550 -0.000 -0.532) 1.639 ======================= Grid point 82 (40/100) ======================= q-point: (-0.29 -0.43 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.528 ( -37.249 1.081 -5.864) 37.723 3.619 ( -37.449 -12.378 -2.343) 39.511 4.041 ( -4.888 21.379 -0.347) 21.933 4.390 ( -3.687 5.485 1.872) 6.869 4.544 ( 0.558 19.736 2.277) 19.875 4.688 ( -6.865 8.563 -10.199) 14.982 4.956 ( 0.679 6.091 -1.295) 6.265 5.172 ( 1.435 -7.987 2.360) 8.451 5.277 ( 3.125 -0.563 6.404) 7.147 5.457 ( -14.651 5.845 9.110) 18.216 5.487 ( -31.650 2.262 -0.880) 31.743 5.614 ( -16.034 5.069 5.488) 17.689 5.730 ( -4.659 6.247 -12.982) 15.142 5.835 ( -0.317 -11.156 2.752) 11.495 6.115 ( -1.405 10.785 -0.713) 10.900 6.267 ( -5.040 6.490 11.197) 13.888 6.536 ( -28.351 2.195 -8.560) 29.697 6.678 ( -6.601 8.935 12.332) 16.598 6.972 ( -18.032 9.342 11.219) 23.201 7.110 ( -8.966 6.689 10.040) 15.031 7.255 ( -2.663 13.542 -5.205) 14.750 7.347 ( -28.311 2.632 11.273) 30.586 7.543 ( -18.792 5.778 -16.226) 25.491 7.613 ( 9.086 18.448 4.835) 21.125 8.018 ( -1.019 -7.466 10.262) 12.732 8.052 ( -14.018 -4.338 1.412) 14.742 8.784 ( -1.735 -26.861 0.279) 26.918 8.811 ( -4.228 -19.002 4.520) 19.985 9.399 ( 29.948 1.428 -3.970) 30.244 9.436 ( 23.342 -8.210 -10.405) 26.843 9.921 ( 28.793 1.445 -8.028) 29.926 10.210 ( 27.325 -10.996 -10.222) 31.178 11.488 ( 9.487 -2.482 -3.187) 10.312 11.605 ( 11.699 -3.933 -3.379) 12.796 11.804 ( 2.969 -0.215 0.932) 3.119 11.886 ( 9.221 2.485 -0.687) 9.575 12.226 ( 8.081 -3.622 0.615) 8.876 12.426 ( 4.751 -6.477 -2.901) 8.541 13.103 ( 2.919 -5.711 -6.223) 8.936 13.274 ( 2.148 6.569 3.689) 7.834 13.499 ( -0.420 -4.732 1.424) 4.960 13.684 ( 9.766 -0.448 4.805) 10.893 13.808 ( -0.016 0.230 3.945) 3.952 13.920 ( -1.850 -0.609 -1.957) 2.761 13.958 ( 0.230 -0.172 1.128) 1.164 14.065 ( -0.401 0.448 0.586) 0.840 14.147 ( -3.657 0.995 -1.141) 3.958 14.214 ( -2.586 1.872 -1.772) 3.652 16.746 ( 4.471 0.227 3.096) 5.443 16.787 ( 0.916 -0.689 6.550) 6.650 16.868 ( -0.867 -2.391 -3.441) 4.279 17.154 ( -1.138 2.847 -2.421) 3.907 17.207 ( -0.989 -0.117 -4.018) 4.139 17.333 ( -1.028 0.146 -1.603) 1.910 17.373 ( -0.646 -0.799 -2.430) 2.638 17.423 ( -1.672 -0.097 1.705) 2.390 17.543 ( 3.660 -2.434 -4.336) 6.175 17.652 ( 6.479 -1.905 2.455) 7.185 17.718 ( 4.106 -1.498 -1.535) 4.632 17.837 ( 6.757 -1.009 0.896) 6.891 18.042 ( 5.036 -2.818 -0.168) 5.774 18.117 ( 7.950 -4.436 -0.812) 9.140 18.232 ( 8.737 -1.976 1.538) 9.089 18.341 ( 8.740 -3.433 -0.227) 9.392 19.288 ( 2.102 2.990 5.265) 6.410 19.483 ( 2.639 -1.766 4.453) 5.469 19.589 ( -0.363 1.748 4.479) 4.822 19.768 ( -3.790 -1.731 -3.316) 5.325 19.810 ( 1.399 -4.533 -1.890) 5.107 20.219 ( -0.233 1.820 -4.502) 4.861 20.284 ( -2.493 1.380 -5.440) 6.141 20.388 ( -2.496 1.962 -0.180) 3.180 ======================= Grid point 83 (41/100) ======================= q-point: (-0.14 -0.43 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.936 ( -40.929 -5.322 -5.396) 41.625 3.350 ( -37.990 -26.104 0.281) 46.094 3.713 ( 1.389 19.849 1.973) 19.995 4.042 ( 5.817 34.448 -6.009) 35.449 4.273 ( -10.316 5.273 -6.274) 13.176 4.498 ( -8.719 0.482 -4.998) 10.062 4.746 ( -12.716 1.563 -16.211) 20.663 4.968 ( -33.057 -8.711 0.926) 34.198 5.045 ( -11.816 12.914 -2.111) 17.630 5.109 ( -18.741 6.389 -2.881) 20.008 5.321 ( -8.162 0.025 2.020) 8.409 5.349 ( -8.867 -5.673 8.543) 13.557 5.541 ( -10.013 -0.054 -5.702) 11.522 5.872 ( -11.954 9.562 5.302) 16.200 5.996 ( 5.018 10.019 -0.500) 11.217 6.197 ( 4.190 -5.719 5.265) 8.831 6.252 ( -8.385 -0.449 -9.018) 12.322 6.434 ( -11.901 6.742 9.170) 16.468 6.832 ( -3.930 2.918 11.689) 12.673 6.958 ( -18.471 6.045 6.412) 20.465 7.039 ( -8.993 -1.424 5.432) 10.602 7.118 ( -7.765 -0.661 1.901) 8.021 7.302 ( 2.171 -0.264 4.375) 4.891 7.671 ( 25.721 17.422 13.647) 33.932 7.945 ( -4.601 -1.007 -4.087) 6.236 8.201 ( 4.694 -3.525 15.802) 16.857 8.963 ( -11.255 -18.704 3.165) 22.058 9.127 ( 3.672 -12.816 -2.505) 13.565 9.664 ( 24.516 10.273 -8.059) 27.777 9.816 ( 16.967 -6.531 -5.095) 18.881 10.239 ( 15.362 -3.884 -5.069) 16.636 10.586 ( 16.325 -3.955 -6.345) 17.956 11.631 ( 7.117 -0.505 -1.031) 7.209 11.768 ( 4.873 -0.792 -4.225) 6.498 11.849 ( 5.839 -1.916 0.888) 6.209 11.988 ( 11.375 2.304 -3.158) 12.028 12.386 ( 4.558 -2.453 0.907) 5.255 12.584 ( 2.542 -6.648 -2.221) 7.456 13.156 ( -0.412 4.583 1.393) 4.808 13.269 ( 0.459 -7.467 -4.255) 8.607 13.558 ( -0.320 -2.841 -0.492) 2.901 13.756 ( 0.155 0.907 1.868) 2.082 13.845 ( 2.812 1.203 -0.612) 3.119 13.924 ( 2.270 -1.246 1.154) 2.835 13.961 ( 0.251 0.571 -0.485) 0.790 14.049 ( -1.066 2.424 -0.447) 2.685 14.091 ( -0.895 0.664 1.598) 1.948 14.142 ( -2.185 1.519 0.638) 2.737 16.785 ( 1.187 0.678 0.615) 1.499 16.848 ( 1.173 -1.388 4.361) 4.725 16.891 ( 0.770 -0.074 -2.378) 2.500 17.103 ( -0.978 -0.235 -1.243) 1.598 17.179 ( -1.343 -1.529 -2.111) 2.932 17.281 ( -1.599 0.061 -3.271) 3.641 17.336 ( -2.396 2.351 -0.565) 3.404 17.415 ( -2.265 -2.018 0.130) 3.037 17.651 ( 4.997 -3.619 -2.166) 6.539 17.768 ( 4.109 -1.847 1.565) 4.769 17.785 ( 6.339 1.443 -1.643) 6.706 17.967 ( 6.838 -1.433 0.264) 6.992 18.162 ( 4.077 -3.200 0.203) 5.187 18.274 ( 6.233 -2.332 -0.326) 6.663 18.367 ( 6.277 0.723 1.328) 6.457 18.499 ( 6.240 -2.520 0.128) 6.731 19.276 ( -0.040 3.743 2.903) 4.737 19.452 ( -2.846 4.175 1.945) 5.414 19.674 ( 3.801 -4.536 2.145) 6.294 19.727 ( -2.389 -3.795 -2.094) 4.949 19.951 ( 5.882 -4.464 1.259) 7.491 20.169 ( -0.763 2.500 -2.046) 3.319 20.204 ( -1.666 2.277 -3.210) 4.274 20.314 ( -1.990 2.159 -1.058) 3.121 ======================= Grid point 89 (42/100) ======================= q-point: (-0.29 -0.29 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.912 ( -44.679 -0.000 -7.501) 45.304 2.917 ( -44.803 -0.000 0.659) 44.808 4.106 ( -10.588 -0.000 -2.192) 10.812 4.195 ( -9.868 -0.000 -6.749) 11.955 4.506 ( -58.625 -0.000 -0.750) 58.630 4.711 ( 1.923 0.000 -8.873) 9.079 4.735 ( -15.511 -0.000 -6.489) 16.814 4.963 ( -20.629 -0.000 -5.317) 21.303 5.042 ( -7.487 -0.000 -7.745) 10.772 5.225 ( -25.567 -0.000 -5.530) 26.158 5.280 ( 2.101 0.000 6.263) 6.606 5.589 ( -11.435 -0.000 -8.952) 14.522 5.632 ( -5.756 -0.000 10.418) 11.902 5.759 ( -11.054 -0.000 2.161) 11.264 6.091 ( -19.138 -0.000 -6.637) 20.256 6.267 ( -0.434 -0.000 3.654) 3.680 6.282 ( -7.903 -0.000 10.098) 12.823 6.391 ( -26.371 -0.000 0.286) 26.372 6.724 ( -20.557 -0.000 6.154) 21.459 7.025 ( -27.433 -0.000 -19.714) 33.782 7.054 ( -14.486 -0.000 21.557) 25.972 7.285 ( -2.555 -0.000 27.096) 27.216 7.378 ( 2.019 0.000 -21.698) 21.792 7.720 ( -14.272 -0.000 17.559) 22.627 7.935 ( -12.077 -0.000 16.962) 20.822 8.177 ( 21.177 0.000 4.491) 21.648 8.683 ( 5.864 0.000 13.714) 14.915 8.731 ( 15.708 0.000 14.488) 21.369 9.707 ( 24.792 0.000 -6.835) 25.717 9.851 ( 29.847 0.000 -5.772) 30.400 10.372 ( 27.290 0.000 -14.569) 30.936 10.455 ( 28.087 0.000 -10.356) 29.935 11.643 ( 16.793 0.000 -6.669) 18.068 11.742 ( 11.710 0.000 -6.217) 13.258 11.876 ( 4.530 0.000 -1.431) 4.751 12.066 ( 11.789 0.000 -2.177) 11.988 12.307 ( 8.205 0.000 -0.610) 8.228 12.442 ( 7.464 0.000 -2.095) 7.753 13.080 ( 4.477 0.000 -4.926) 6.657 13.381 ( -4.706 -0.000 -2.413) 5.289 13.421 ( 2.615 0.000 4.190) 4.939 13.771 ( -1.516 -0.000 4.227) 4.491 13.874 ( -2.307 -0.000 -2.433) 3.352 13.875 ( 5.156 0.000 4.746) 7.008 13.981 ( 2.070 0.000 -0.232) 2.083 14.093 ( -4.256 -0.000 0.485) 4.284 14.094 ( 4.152 0.000 1.568) 4.438 14.173 ( -3.744 -0.000 -1.293) 3.961 16.812 ( -0.203 -0.000 -3.733) 3.739 16.824 ( 1.968 0.000 6.274) 6.576 16.860 ( 4.800 0.000 4.165) 6.355 17.122 ( -3.590 -0.000 -5.050) 6.197 17.155 ( -2.224 -0.000 -3.616) 4.245 17.290 ( -4.068 -0.000 -6.464) 7.638 17.336 ( -1.470 -0.000 2.434) 2.843 17.393 ( -3.649 -0.000 0.121) 3.651 17.594 ( 8.172 0.000 -2.327) 8.497 17.739 ( 6.171 0.000 1.876) 6.450 17.825 ( 10.464 0.000 -1.019) 10.514 17.942 ( 8.011 0.000 0.618) 8.035 18.103 ( 6.855 0.000 0.280) 6.861 18.237 ( 11.870 0.000 -2.036) 12.043 18.386 ( 11.963 0.000 2.266) 12.176 18.454 ( 8.979 0.000 -0.223) 8.982 19.371 ( 1.952 0.000 4.613) 5.009 19.551 ( 4.656 0.000 5.126) 6.925 19.594 ( -5.046 -0.000 9.379) 10.650 19.603 ( -5.939 -0.000 -11.135) 12.620 19.882 ( 8.125 0.000 1.786) 8.319 20.214 ( 0.331 0.000 -2.930) 2.949 20.226 ( -2.635 -0.000 -5.819) 6.388 20.363 ( -2.973 -0.000 -0.184) 2.978 ======================= Grid point 90 (43/100) ======================= q-point: (-0.14 -0.29 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.215 ( -47.901 -2.639 -1.993) 48.015 2.398 ( -46.418 -19.194 1.775) 50.261 3.681 ( -65.916 -25.499 9.353) 71.293 3.882 ( -5.190 6.436 -6.766) 10.684 4.160 ( -8.763 -4.115 -6.576) 11.703 4.328 ( -12.320 16.221 -8.590) 22.106 4.415 ( -18.353 11.202 -10.083) 23.749 4.692 ( -1.503 2.524 -14.130) 14.432 4.862 ( -19.704 -3.482 -6.358) 20.995 5.033 ( -5.684 -7.447 -3.208) 9.902 5.124 ( -12.665 12.504 -4.796) 18.433 5.300 ( -11.997 2.501 1.310) 12.325 5.390 ( -9.747 8.749 0.218) 13.099 5.797 ( -14.856 -19.621 -6.488) 25.451 5.838 ( -17.270 8.847 6.241) 20.383 6.002 ( -16.501 -16.341 0.676) 23.233 6.210 ( -1.963 6.422 -0.104) 6.717 6.355 ( -14.686 -9.286 8.556) 19.367 6.590 ( -11.587 -5.932 7.910) 15.232 6.637 ( -12.398 1.454 -9.314) 15.575 6.861 ( -14.539 4.148 8.195) 17.198 7.210 ( -6.256 16.980 17.352) 25.071 7.447 ( 9.262 -11.218 -13.011) 19.517 7.723 ( -6.698 -9.558 15.390) 19.315 8.052 ( -8.272 -19.157 22.449) 30.649 8.378 ( 19.777 11.662 4.873) 23.471 8.857 ( 10.538 3.966 15.977) 19.546 9.120 ( 12.947 -4.659 10.488) 17.301 10.013 ( 20.245 0.636 -2.978) 20.472 10.191 ( 25.370 4.002 -5.788) 26.328 10.544 ( 20.254 10.451 -12.150) 25.828 10.791 ( 19.557 -0.048 -6.651) 20.657 11.779 ( 7.971 5.864 -3.844) 10.616 11.868 ( 11.814 0.615 -8.614) 14.634 11.948 ( 7.686 -1.422 -1.598) 7.979 12.201 ( 12.694 2.392 -3.785) 13.460 12.405 ( 4.797 1.607 -1.922) 5.412 12.587 ( 7.814 -2.669 -0.736) 8.290 13.168 ( 2.566 -4.837 -2.101) 5.864 13.226 ( -3.631 7.730 -2.812) 8.992 13.500 ( -0.803 -4.251 1.042) 4.450 13.758 ( -1.391 0.107 2.646) 2.991 13.838 ( -1.252 -1.034 -1.577) 2.264 13.943 ( 0.887 -1.234 2.488) 2.916 13.989 ( 0.477 1.390 -0.627) 1.598 14.031 ( -4.149 0.679 0.737) 4.268 14.113 ( -2.984 0.101 0.338) 3.005 14.186 ( 7.688 2.051 1.617) 8.119 16.802 ( 0.913 0.402 -1.510) 1.810 16.866 ( 0.189 -0.447 2.941) 2.981 16.932 ( 2.790 2.691 0.458) 3.903 17.062 ( -1.469 -1.530 -2.325) 3.146 17.116 ( -2.255 -1.757 -1.797) 3.377 17.214 ( -3.227 -1.846 -4.354) 5.725 17.306 ( -4.225 1.090 -0.746) 4.427 17.344 ( -3.455 -2.294 0.986) 4.263 17.723 ( 9.235 -0.071 -0.909) 9.280 17.841 ( 6.770 0.230 0.763) 6.816 17.937 ( 8.486 3.658 -0.463) 9.253 18.065 ( 7.200 -0.545 0.124) 7.222 18.214 ( 6.630 -0.230 0.898) 6.695 18.387 ( 10.019 1.187 -1.641) 10.221 18.514 ( 6.433 3.700 0.416) 7.433 18.581 ( 7.642 -0.721 0.945) 7.734 19.351 ( -0.333 5.318 1.286) 5.481 19.484 ( -2.065 3.298 -0.874) 3.988 19.595 ( -2.212 -4.582 2.768) 5.792 19.687 ( 3.265 -5.126 3.209) 6.873 20.015 ( 7.330 -1.543 0.784) 7.531 20.161 ( -1.563 1.080 -3.346) 3.848 20.209 ( 0.548 0.826 -1.562) 1.850 20.305 ( -2.560 1.468 -0.863) 3.074 ======================= Grid point 97 (44/100) ======================= q-point: (-0.14 -0.14 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.508 ( -49.629 -0.000 9.816) 50.590 1.572 ( -49.728 -0.000 9.586) 50.644 2.493 ( -74.228 -0.000 28.760) 79.605 3.834 ( -6.677 -0.000 2.220) 7.037 3.948 ( -6.237 -0.000 -9.901) 11.702 4.150 ( -20.019 -0.000 -9.388) 22.111 4.245 ( -14.536 -0.000 -5.961) 15.711 4.375 ( -14.974 -0.000 -0.515) 14.983 4.654 ( -1.950 -0.000 -6.126) 6.429 4.977 ( -2.988 -0.000 -6.709) 7.345 5.118 ( -9.343 -0.000 -9.364) 13.228 5.216 ( -9.298 -0.000 -8.700) 12.734 5.223 ( -5.199 -0.000 -10.963) 12.133 5.401 ( -9.723 -0.000 -3.386) 10.295 5.514 ( -20.629 -0.000 -3.428) 20.912 5.809 ( -13.753 -0.000 10.579) 17.351 5.909 ( -15.490 -0.000 2.985) 15.775 6.152 ( -12.048 -0.000 7.786) 14.346 6.258 ( -13.263 -0.000 -9.701) 16.432 6.792 ( 3.992 0.000 14.348) 14.893 6.825 ( -10.290 -0.000 3.807) 10.972 7.192 ( 1.207 0.000 -27.945) 27.971 7.435 ( -7.503 -0.000 14.227) 16.084 7.686 ( -1.738 -0.000 22.634) 22.700 7.849 ( -7.162 -0.000 24.004) 25.049 8.627 ( 10.314 0.000 -10.783) 14.922 9.162 ( 9.320 0.000 12.431) 15.537 9.378 ( 12.171 0.000 9.461) 15.416 10.283 ( 15.722 0.000 2.553) 15.928 10.512 ( 21.010 0.000 -4.659) 21.521 10.814 ( 13.222 0.000 -8.747) 15.854 11.060 ( 18.417 0.000 -1.042) 18.447 11.915 ( 6.398 0.000 -6.858) 9.379 11.939 ( 3.693 0.000 -5.347) 6.499 12.063 ( 11.736 0.000 -2.039) 11.912 12.376 ( 12.778 0.000 -3.625) 13.282 12.539 ( 8.092 0.000 -2.090) 8.358 12.692 ( 8.045 0.000 0.246) 8.049 13.151 ( -1.015 -0.000 0.679) 1.221 13.266 ( 3.577 0.000 -6.888) 7.762 13.433 ( -4.218 -0.000 3.796) 5.674 13.760 ( 0.001 0.000 2.216) 2.216 13.800 ( -1.029 -0.000 -1.229) 1.603 13.946 ( -0.903 -0.000 2.538) 2.693 13.976 ( -4.212 -0.000 0.860) 4.299 14.002 ( 0.001 0.000 -0.670) 0.670 14.059 ( -4.089 -0.000 1.334) 4.301 14.319 ( 7.079 0.000 -0.810) 7.125 16.819 ( 2.360 0.000 -2.055) 3.130 16.872 ( -0.880 -0.000 1.595) 1.822 16.996 ( -1.306 -0.000 -3.292) 3.542 17.022 ( 1.253 0.000 0.793) 1.483 17.073 ( 0.628 0.000 0.782) 1.003 17.124 ( -3.094 -0.000 -3.657) 4.790 17.244 ( -5.205 -0.000 -1.110) 5.322 17.275 ( -3.755 -0.000 1.525) 4.053 17.874 ( 10.575 0.000 0.290) 10.579 17.949 ( 6.905 0.000 0.424) 6.918 18.083 ( 6.435 0.000 0.071) 6.435 18.140 ( 4.370 0.000 -0.864) 4.455 18.328 ( 7.092 0.000 2.053) 7.383 18.538 ( 9.452 0.000 -1.576) 9.582 18.575 ( -0.009 -0.000 -1.745) 1.745 18.714 ( 7.853 0.000 3.386) 8.552 19.394 ( -2.228 -0.000 1.385) 2.623 19.462 ( 1.292 0.000 -3.781) 3.995 19.577 ( -1.336 -0.000 6.376) 6.514 19.699 ( 2.763 0.000 0.949) 2.922 20.101 ( 5.428 0.000 -0.384) 5.441 20.142 ( -0.057 -0.000 -2.410) 2.410 20.218 ( 0.588 0.000 -0.852) 1.035 20.271 ( -2.614 -0.000 -1.464) 2.996 ======================= Grid point 98 (45/100) ======================= q-point: ( 0.00 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.098 ( 10.473 0.000 50.686) 51.756 2.105 ( -1.664 -0.000 50.989) 51.016 3.040 ( -0.063 -0.000 75.848) 75.848 3.855 ( 3.573 0.000 1.939) 4.065 3.967 ( 3.529 0.000 -7.904) 8.656 4.054 ( 14.448 0.000 -5.182) 15.350 4.115 ( 5.891 0.000 -7.312) 9.390 4.279 ( 2.630 0.000 2.177) 3.414 4.407 ( -1.049 -0.000 -13.219) 13.261 4.475 ( 3.956 0.000 -13.378) 13.951 4.478 ( 1.797 0.000 -18.268) 18.356 4.962 ( -6.954 -0.000 -1.455) 7.104 4.970 ( -3.967 -0.000 0.552) 4.005 5.256 ( 17.027 0.000 6.249) 18.138 5.340 ( 14.523 0.000 14.953) 20.845 5.725 ( -1.171 -0.000 2.284) 2.567 5.742 ( -0.753 -0.000 -0.296) 0.809 5.966 ( -2.914 -0.000 -6.183) 6.836 6.059 ( 2.440 0.000 -0.209) 2.449 6.466 ( -18.745 -0.000 -2.289) 18.885 6.709 ( 6.115 0.000 -3.457) 7.025 7.043 ( -14.208 -0.000 -8.859) 16.744 7.096 ( -2.276 -0.000 5.032) 5.523 7.564 ( -13.463 -0.000 -27.650) 30.753 8.044 ( -17.422 -0.000 -18.452) 25.377 8.148 ( 9.290 0.000 -10.766) 14.220 9.120 ( -14.111 -0.000 10.773) 17.753 9.133 ( -16.294 -0.000 8.870) 18.551 10.666 ( 1.792 0.000 2.080) 2.746 10.765 ( 7.042 0.000 -9.948) 12.189 11.397 ( 6.732 0.000 7.345) 9.963 11.423 ( 5.939 0.000 -4.322) 7.345 11.996 ( 6.836 0.000 0.165) 6.838 12.091 ( 5.153 0.000 3.606) 6.290 12.444 ( 5.955 0.000 5.450) 8.072 12.621 ( 1.932 0.000 0.349) 1.963 12.668 ( 1.109 0.000 2.745) 2.960 12.790 ( -1.391 -0.000 -2.550) 2.905 13.284 ( 7.116 0.000 7.155) 10.091 13.315 ( -8.199 -0.000 0.465) 8.212 13.383 ( 3.519 0.000 5.931) 6.896 13.775 ( -1.766 -0.000 0.331) 1.797 13.806 ( 2.469 0.000 -0.160) 2.474 13.885 ( -3.598 -0.000 -1.429) 3.871 13.901 ( -1.636 -0.000 -0.351) 1.674 13.980 ( -2.005 -0.000 0.655) 2.109 13.996 ( 0.591 0.000 -0.185) 0.619 14.245 ( -1.360 -0.000 -10.001) 10.093 16.819 ( -1.491 -0.000 -0.264) 1.514 16.861 ( 1.307 0.000 -0.418) 1.372 17.020 ( -0.006 -0.000 1.271) 1.271 17.043 ( 6.174 0.000 1.503) 6.354 17.078 ( 3.678 0.000 -0.370) 3.697 17.140 ( -5.450 -0.000 -0.043) 5.450 17.161 ( 0.277 0.000 0.553) 0.618 17.190 ( 0.196 0.000 0.012) 0.196 18.065 ( -2.025 -0.000 -0.135) 2.030 18.076 ( 0.920 0.000 -0.123) 0.928 18.171 ( -1.222 -0.000 0.676) 1.397 18.196 ( 2.931 0.000 0.381) 2.956 18.460 ( -1.834 -0.000 1.994) 2.709 18.633 ( 0.742 0.000 -2.907) 3.001 18.648 ( 3.436 0.000 3.191) 4.689 18.810 ( -3.427 -0.000 -2.717) 4.373 19.419 ( -0.896 -0.000 1.087) 1.409 19.509 ( 3.237 0.000 -0.742) 3.321 19.590 ( -5.653 -0.000 1.872) 5.955 19.681 ( 0.627 0.000 -2.056) 2.149 20.121 ( 0.686 0.000 -0.326) 0.759 20.146 ( 1.751 0.000 -0.445) 1.806 20.153 ( -0.159 -0.000 -2.831) 2.836 20.162 ( -1.664 -0.000 -2.359) 2.887 ======================= Grid point 99 (46/100) ======================= q-point: ( 0.14 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.439 ( -0.942 -15.127 46.359) 48.774 2.542 ( 21.672 3.025 44.022) 49.160 3.822 ( 25.985 -25.600 54.714) 65.759 3.957 ( 6.883 -1.286 0.745) 7.041 4.021 ( 2.317 2.901 -11.886) 12.452 4.084 ( 9.866 -7.391 -2.109) 12.506 4.317 ( 10.148 -6.270 -21.703) 24.765 4.340 ( 2.975 -4.468 -13.616) 14.636 4.473 ( 7.171 -7.052 -3.027) 10.503 4.560 ( 11.311 -11.779 -16.793) 23.424 4.707 ( 18.416 -9.567 -7.983) 22.235 4.790 ( -1.430 1.934 1.844) 3.030 5.163 ( 11.032 -13.001 -2.468) 17.228 5.466 ( 18.347 2.979 12.523) 22.412 5.740 ( 0.369 -2.174 0.042) 2.206 5.815 ( 1.874 -3.485 6.270) 7.415 5.915 ( 2.649 -4.784 -0.016) 5.468 6.043 ( 20.284 -20.941 -1.308) 29.183 6.129 ( 0.440 -2.633 1.515) 3.069 6.204 ( -1.716 -4.114 4.845) 6.583 6.673 ( -13.188 -7.249 -12.984) 19.876 6.853 ( -6.751 -3.117 3.848) 8.373 7.175 ( -14.073 5.448 -26.187) 30.224 7.279 ( 15.897 -2.468 14.356) 21.561 7.672 ( -18.765 -1.441 -24.919) 31.228 8.246 ( 9.143 2.463 -12.075) 15.345 8.709 ( -18.584 17.114 18.239) 31.160 9.155 ( -14.021 -11.672 10.645) 21.122 10.617 ( -2.013 7.002 0.102) 7.286 10.707 ( -0.112 7.921 -10.577) 13.214 11.343 ( -5.205 11.079 -0.349) 12.246 11.372 ( -3.256 8.520 -1.297) 9.213 12.002 ( 2.222 8.418 2.359) 9.021 12.178 ( 3.985 -2.654 -2.617) 5.456 12.435 ( -3.580 8.260 5.607) 10.606 12.537 ( -8.924 10.962 -0.553) 14.146 12.558 ( -6.945 5.591 2.277) 9.201 12.772 ( -0.897 -2.743 -1.306) 3.167 13.183 ( -5.055 1.641 -0.115) 5.316 13.385 ( 0.550 0.783 11.966) 12.004 13.488 ( 3.983 -3.246 0.213) 5.143 13.750 ( -2.156 -0.419 0.008) 2.196 13.776 ( -0.475 3.477 -1.155) 3.695 13.887 ( -0.843 -3.118 -1.180) 3.439 13.901 ( 1.380 -0.871 -0.010) 1.632 13.974 ( 0.279 0.504 0.207) 0.612 14.032 ( 1.341 -2.084 0.208) 2.487 14.150 ( -2.559 1.178 -8.478) 8.933 16.784 ( -2.284 0.490 0.496) 2.388 16.868 ( 0.473 0.382 -0.655) 0.894 17.014 ( -3.878 0.266 -0.544) 3.925 17.089 ( 2.444 0.138 0.016) 2.448 17.129 ( 2.673 -0.882 1.084) 3.016 17.157 ( 4.847 -1.057 -0.041) 4.961 17.184 ( 2.915 0.091 0.814) 3.028 17.235 ( 1.496 -4.426 -1.239) 4.833 17.965 ( -5.010 4.631 0.275) 6.828 18.021 ( -3.435 4.053 0.034) 5.313 18.109 ( -4.386 3.977 0.186) 5.924 18.195 ( -1.595 2.267 -0.101) 2.773 18.411 ( -3.413 2.741 2.461) 5.022 18.570 ( -2.802 4.361 -2.104) 5.595 18.679 ( -0.851 1.597 1.785) 2.542 18.713 ( -5.274 1.855 -1.642) 5.827 19.369 ( -3.683 2.089 0.869) 4.322 19.498 ( -5.725 1.295 1.043) 5.961 19.552 ( 2.020 -1.435 -0.861) 2.624 19.698 ( 2.892 0.278 -0.167) 2.910 20.118 ( -2.133 -0.063 -1.119) 2.410 20.128 ( 1.315 1.284 -1.026) 2.105 20.136 ( 0.454 0.831 -2.005) 2.217 20.195 ( 2.353 -1.955 -1.171) 3.276 ======================= Grid point 100 (47/100) ======================= q-point: ( 0.29 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.893 ( 3.754 -16.652 34.707) 38.678 3.019 ( 19.296 -2.253 30.534) 36.190 3.803 ( -8.884 11.057 -8.773) 16.678 4.047 ( 3.667 -0.812 -8.336) 9.143 4.212 ( -2.391 -0.473 -7.308) 7.704 4.334 ( 10.011 -4.946 -9.134) 14.427 4.358 ( 5.614 -6.240 -27.115) 28.384 4.658 ( 5.275 -6.578 -2.925) 8.925 4.726 ( 3.861 -2.391 -7.870) 9.086 4.937 ( 10.587 -7.109 10.736) 16.670 5.031 ( 14.029 -19.900 -4.255) 24.717 5.177 ( 20.888 -17.602 -6.511) 28.081 5.391 ( 4.322 -7.409 14.211) 16.599 5.484 ( 16.308 -0.464 3.024) 16.593 5.796 ( 2.743 -3.800 -0.546) 4.718 5.962 ( 5.349 -20.755 4.107) 21.824 6.039 ( -4.563 2.188 8.232) 9.663 6.396 ( -8.375 -5.934 -7.918) 12.963 6.424 ( 21.993 -11.715 9.292) 26.595 6.612 ( 6.825 -9.063 -2.719) 11.666 6.701 ( 6.965 -18.934 -4.940) 20.770 6.872 ( -9.847 -9.693 -8.331) 16.135 7.061 ( 14.536 -16.006 17.926) 28.086 7.438 ( 0.569 -9.374 -19.677) 21.803 7.650 ( 19.490 1.698 20.140) 28.078 8.131 ( -3.501 9.917 -3.407) 11.055 8.366 ( -9.444 14.027 13.029) 21.347 9.191 ( -5.600 -10.176 3.815) 12.226 10.380 ( -7.740 15.066 -9.967) 19.653 10.461 ( -6.109 13.663 -6.621) 16.366 10.948 ( -15.430 19.647 -5.055) 25.488 11.102 ( -8.779 14.203 1.776) 16.791 11.886 ( -0.950 8.419 0.903) 8.520 12.142 ( -8.958 12.888 -3.902) 16.173 12.226 ( -7.413 14.173 6.358) 17.211 12.286 ( 0.240 -4.210 0.422) 4.238 12.350 ( -9.490 7.417 4.006) 12.694 12.750 ( -5.639 -0.515 -1.551) 5.871 13.121 ( -3.350 -1.172 -1.658) 3.917 13.435 ( 1.443 -0.595 4.834) 5.080 13.553 ( -0.344 -2.550 -1.147) 2.817 13.666 ( -5.040 4.017 -8.264) 10.480 13.736 ( -1.600 -0.946 -0.166) 1.866 13.918 ( 1.500 -1.339 2.165) 2.955 13.943 ( 2.661 0.017 -0.576) 2.723 13.977 ( 0.867 0.089 -0.286) 0.918 14.050 ( 0.556 -0.762 -0.253) 0.976 14.137 ( 1.202 -1.607 0.183) 2.016 16.756 ( -2.414 -1.024 0.517) 2.673 16.863 ( 0.738 1.251 -0.141) 1.459 16.940 ( -4.429 -0.236 -1.807) 4.789 17.119 ( 1.874 0.858 -0.517) 2.125 17.185 ( 1.235 -2.801 -1.464) 3.393 17.212 ( 1.877 -1.075 0.388) 2.198 17.254 ( 5.843 1.174 0.361) 5.971 17.326 ( 3.012 -3.641 -0.768) 4.788 17.831 ( -4.380 4.424 -0.698) 6.264 17.890 ( -5.131 4.493 0.203) 6.823 17.961 ( -4.452 6.120 0.058) 7.568 18.103 ( -4.038 3.653 0.064) 5.446 18.315 ( -3.854 3.868 1.450) 5.650 18.439 ( -3.757 4.935 -0.863) 6.262 18.556 ( -7.495 3.899 -0.598) 8.470 18.639 ( -2.769 2.879 1.038) 4.127 19.290 ( -3.967 1.026 0.625) 4.145 19.402 ( -6.295 -0.005 0.537) 6.318 19.626 ( 3.115 -4.006 -0.830) 5.142 19.755 ( 6.358 1.778 1.531) 6.777 20.086 ( -2.653 -0.822 -0.503) 2.822 20.110 ( 1.519 2.526 -1.288) 3.217 20.132 ( 0.698 0.604 -0.959) 1.331 20.246 ( 2.648 -0.612 -1.076) 2.923 ======================= Grid point 101 (48/100) ======================= q-point: ( 0.43 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.240 ( -8.167 7.638 5.008) 12.253 3.332 ( 6.213 -6.893 15.129) 17.748 3.525 ( 4.341 1.677 14.364) 15.099 3.959 ( -6.164 3.551 -14.246) 15.924 4.046 ( -17.536 21.624 -25.387) 37.678 4.255 ( -2.953 0.168 -16.384) 16.648 4.271 ( -0.128 -1.004 -14.359) 14.395 4.640 ( 8.413 -10.994 1.564) 13.932 4.808 ( 0.559 -1.498 1.742) 2.364 5.195 ( 4.374 -7.233 9.000) 12.347 5.288 ( 6.849 -8.467 -21.766) 24.339 5.469 ( 8.971 -9.215 -2.338) 13.072 5.616 ( 0.895 0.430 0.903) 1.343 5.906 ( 2.832 -5.776 -2.610) 6.942 5.955 ( -4.021 3.301 6.708) 8.489 6.105 ( -13.972 5.200 2.464) 15.110 6.132 ( -8.742 7.389 9.060) 14.598 6.356 ( 9.999 -17.417 7.554) 21.457 6.494 ( 4.172 -14.863 12.802) 20.054 6.807 ( -10.912 -13.730 -3.067) 17.805 7.080 ( 10.508 -17.629 -4.684) 21.051 7.249 ( 26.282 -12.358 10.530) 30.892 7.450 ( 8.677 1.651 18.988) 20.942 7.807 ( 3.340 4.636 14.485) 15.571 7.940 ( 4.039 9.423 12.244) 15.969 8.118 ( 19.727 -17.362 -0.184) 26.280 8.266 ( 16.869 -17.520 -12.440) 27.318 9.354 ( 6.457 -9.589 -1.399) 11.645 9.842 ( -21.904 24.319 -10.448) 34.357 10.059 ( -11.536 16.578 -5.565) 20.950 10.485 ( -5.509 11.881 -4.608) 13.883 10.822 ( -4.951 10.371 1.107) 11.546 11.788 ( -0.074 4.273 0.155) 4.277 11.881 ( -3.031 5.799 -1.941) 6.825 11.971 ( -3.376 11.453 4.746) 12.849 12.145 ( -6.323 7.002 5.906) 11.130 12.383 ( 0.587 -4.927 0.422) 4.980 12.617 ( -8.754 1.322 -4.136) 9.772 13.083 ( -4.307 -1.701 -2.051) 5.065 13.394 ( -5.122 5.527 -3.518) 8.316 13.563 ( -2.459 -1.448 -0.516) 2.900 13.583 ( 3.895 -5.607 -8.351) 10.786 13.733 ( -1.682 -2.008 -0.409) 2.651 13.953 ( -0.840 -1.174 1.029) 1.772 13.976 ( 3.172 0.956 -0.162) 3.316 13.989 ( 2.399 1.763 -0.166) 2.982 14.098 ( 1.901 -1.728 2.891) 3.868 14.170 ( 0.301 -0.589 1.821) 1.938 16.749 ( -2.418 -2.634 -0.211) 3.582 16.842 ( -1.228 1.265 -0.171) 1.771 16.899 ( -0.018 0.060 -1.692) 1.693 17.116 ( 0.032 0.916 -0.415) 1.006 17.220 ( -0.576 -2.543 -2.650) 3.718 17.243 ( 0.825 0.319 0.126) 0.893 17.299 ( 4.015 2.706 0.105) 4.843 17.400 ( 1.868 -1.568 -0.160) 2.444 17.709 ( -3.154 3.027 -2.055) 4.830 17.781 ( -2.440 1.707 -0.533) 3.025 17.861 ( -0.159 3.156 1.004) 3.316 18.014 ( -1.935 1.516 -0.000) 2.458 18.242 ( -0.997 1.401 0.712) 1.861 18.345 ( -2.301 1.622 0.312) 2.832 18.404 ( -4.812 2.691 0.082) 5.514 18.572 ( -1.540 1.569 0.476) 2.249 19.242 ( -2.344 -0.245 0.686) 2.454 19.339 ( -5.217 -3.147 -0.331) 6.102 19.721 ( 2.115 -2.928 0.178) 3.617 19.828 ( 6.570 2.840 1.719) 7.362 20.065 ( -1.081 -0.529 0.013) 1.203 20.097 ( 1.140 1.209 -0.507) 1.737 20.124 ( 0.228 0.719 -1.354) 1.550 20.275 ( 2.342 0.798 -0.996) 2.667 ======================= Grid point 102 (49/100) ======================= q-point: (-0.43 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.742 ( -18.787 24.214 9.821) 32.183 3.122 ( -30.433 28.526 -6.226) 42.175 3.560 ( 4.715 -4.035 -4.679) 7.773 3.716 ( 3.145 -3.531 1.631) 5.002 3.967 ( 4.332 -2.422 -2.955) 5.776 4.153 ( 1.975 -5.572 -11.992) 13.370 4.305 ( -1.387 -1.144 -6.056) 6.317 4.732 ( -0.975 3.661 -5.707) 6.850 4.831 ( -1.693 -1.074 0.057) 2.006 5.150 ( -24.495 24.952 13.124) 37.348 5.310 ( -15.010 13.068 7.998) 21.448 5.357 ( 0.537 4.485 0.606) 4.558 5.513 ( -7.044 1.718 -16.922) 18.410 5.702 ( 0.921 -4.576 0.079) 4.669 5.865 ( -8.338 3.865 10.154) 13.695 6.037 ( -0.317 5.453 3.600) 6.542 6.165 ( 9.301 -11.324 -1.020) 14.690 6.384 ( -19.363 -2.743 8.093) 21.165 6.796 ( -5.303 -17.751 0.051) 18.526 6.850 ( -6.024 11.263 -0.473) 12.781 7.126 ( -14.872 15.124 8.965) 23.028 7.392 ( -7.615 15.455 4.495) 17.806 7.566 ( 6.551 2.581 1.379) 7.175 7.798 ( 8.854 -3.965 -1.057) 9.759 8.125 ( 12.805 -8.319 4.280) 15.858 8.631 ( 13.139 -10.948 11.973) 20.877 8.916 ( 4.609 -5.208 -11.733) 13.640 9.174 ( 3.349 -2.483 -1.647) 4.483 9.534 ( 2.255 -4.919 -7.981) 9.642 9.932 ( 10.241 -9.784 -3.300) 14.543 10.461 ( 9.268 -1.580 5.107) 10.699 10.717 ( 4.605 1.982 -1.512) 5.236 11.770 ( 0.099 2.336 2.993) 3.798 11.794 ( 3.585 2.260 1.170) 4.397 11.992 ( 11.145 -3.583 -3.102) 12.111 12.055 ( 0.026 2.864 6.090) 6.730 12.356 ( -5.934 1.403 -2.293) 6.515 12.545 ( -0.580 -4.569 -2.950) 5.469 13.028 ( -5.227 -2.431 -0.997) 5.850 13.264 ( -1.948 2.295 -1.625) 3.421 13.542 ( -2.033 -0.468 -0.525) 2.151 13.712 ( 4.319 -5.297 -5.156) 8.561 13.743 ( -0.778 -3.956 -2.535) 4.762 13.954 ( -0.864 -0.546 0.201) 1.042 13.980 ( 1.149 2.418 -0.625) 2.749 13.998 ( 2.043 1.209 -0.198) 2.382 14.146 ( 0.040 -0.190 1.820) 1.830 14.190 ( 0.669 -0.686 2.465) 2.645 16.753 ( -2.703 -3.246 -0.811) 4.302 16.816 ( 0.488 0.477 -1.218) 1.396 16.904 ( 1.462 0.514 -0.288) 1.577 17.095 ( -0.724 1.147 0.499) 1.446 17.196 ( -3.541 0.361 -1.216) 3.762 17.233 ( -0.295 0.886 -1.801) 2.029 17.289 ( 1.937 4.576 0.122) 4.970 17.412 ( -0.854 0.912 0.099) 1.254 17.675 ( 1.346 -2.023 -1.133) 2.681 17.796 ( 4.046 -2.369 -0.873) 4.769 17.867 ( 1.968 -1.375 0.955) 2.584 18.029 ( 2.854 -2.605 -0.363) 3.881 18.231 ( 0.318 -0.171 0.845) 0.919 18.342 ( 1.699 -1.792 0.317) 2.490 18.395 ( 1.758 -3.832 0.385) 4.234 18.576 ( 1.785 -1.799 0.462) 2.576 19.241 ( -0.318 -1.935 1.122) 2.259 19.343 ( -2.370 -5.225 -0.966) 5.818 19.741 ( -1.336 1.523 1.123) 2.316 19.858 ( 3.074 3.784 0.563) 4.908 20.085 ( 1.958 -1.398 -0.604) 2.481 20.101 ( 0.099 -0.654 -0.135) 0.675 20.110 ( 0.418 0.647 -1.397) 1.595 20.281 ( 1.655 1.700 -1.188) 2.653 ======================= Grid point 103 (50/100) ======================= q-point: (-0.29 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.190 ( -20.479 22.189 22.463) 37.634 2.380 ( -21.393 24.608 21.992) 39.330 3.625 ( 4.297 -4.149 -5.592) 8.183 3.781 ( 1.660 -2.493 -1.117) 3.197 4.048 ( -0.039 -0.797 0.093) 0.804 4.135 ( -42.456 43.564 41.666) 73.732 4.201 ( -2.814 4.828 -2.657) 6.187 4.336 ( 9.508 -9.108 -5.438) 14.245 4.612 ( -3.814 7.452 -6.798) 10.784 4.709 ( -2.818 6.621 -5.479) 9.044 5.039 ( -9.016 10.424 -2.468) 14.002 5.205 ( -9.036 11.940 -20.428) 25.328 5.347 ( -3.088 3.483 -0.330) 4.667 5.596 ( -5.725 18.159 7.126) 20.330 5.767 ( -4.416 -0.107 6.354) 7.738 5.927 ( -22.882 12.715 3.071) 26.356 6.033 ( -0.670 0.960 -3.666) 3.848 6.341 ( -11.388 20.134 -8.857) 24.769 6.556 ( 1.365 -9.883 6.374) 11.839 6.689 ( -21.131 14.061 6.759) 26.267 6.888 ( -17.344 9.828 8.546) 21.690 6.975 ( -4.578 -10.983 -6.424) 13.522 7.490 ( -3.980 7.264 -2.430) 8.632 7.876 ( -3.941 4.019 -14.230) 15.303 8.242 ( 6.308 -3.991 -14.014) 15.878 8.538 ( -6.813 7.520 2.350) 10.416 9.065 ( -5.117 -8.685 3.217) 10.581 9.424 ( 4.825 -7.001 8.004) 11.677 10.015 ( 23.431 -24.279 -6.580) 34.377 10.268 ( 13.718 -10.524 -3.214) 17.586 10.732 ( 13.789 -7.976 4.634) 16.590 10.922 ( 16.176 -7.158 2.116) 17.815 11.789 ( 2.585 -1.291 1.066) 3.080 11.885 ( 8.657 1.449 -0.815) 8.815 12.089 ( 5.052 -0.681 4.301) 6.670 12.264 ( 13.332 -9.106 -2.375) 16.318 12.362 ( 3.671 -4.696 5.401) 8.044 12.618 ( 2.701 -5.071 -2.420) 6.234 13.027 ( -1.549 -4.551 0.917) 4.894 13.241 ( 1.064 0.465 1.289) 1.735 13.510 ( -2.309 0.589 -0.372) 2.412 13.746 ( -1.373 -2.405 -0.007) 2.769 13.815 ( 1.984 -1.759 -3.717) 4.566 13.946 ( -0.829 0.105 -0.116) 0.843 13.957 ( -0.408 0.679 -1.092) 1.349 14.003 ( 1.118 0.816 -0.635) 1.523 14.124 ( -2.244 1.438 0.962) 2.834 14.231 ( 1.732 -1.808 -1.312) 2.827 16.766 ( -1.138 -3.257 -0.798) 3.541 16.829 ( 2.759 0.688 -1.081) 3.043 16.919 ( 0.794 -0.667 -0.034) 1.038 17.069 ( -1.510 1.228 1.983) 2.778 17.128 ( -2.438 1.424 -1.467) 3.181 17.190 ( -1.209 1.832 -1.789) 2.832 17.238 ( 0.559 4.764 0.845) 4.871 17.356 ( -3.196 2.594 0.136) 4.118 17.786 ( 5.314 -6.040 -0.092) 8.046 17.922 ( 6.337 -3.193 -0.161) 7.097 17.958 ( 3.563 -5.518 0.262) 6.574 18.122 ( 3.177 -2.863 -0.411) 4.296 18.300 ( 3.788 -4.293 1.604) 5.946 18.439 ( 5.866 -3.970 -0.805) 7.129 18.499 ( 2.169 -4.152 0.692) 4.735 18.676 ( 4.404 -4.955 0.840) 6.683 19.298 ( 1.086 -3.947 1.614) 4.400 19.399 ( 0.950 -4.136 -1.239) 4.421 19.676 ( -3.478 2.200 1.536) 4.393 19.811 ( -0.691 4.489 -1.118) 4.678 20.111 ( 1.586 0.647 -0.569) 1.805 20.111 ( 1.222 0.016 -1.014) 1.588 20.135 ( 0.195 -3.136 -1.586) 3.519 20.261 ( 0.380 2.291 -1.646) 2.846 ======================= Grid point 104 (51/100) ======================= q-point: (-0.14 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.883 ( -12.265 5.543 45.208) 47.169 2.046 ( -5.244 18.424 45.059) 48.962 3.221 ( -33.211 33.212 61.915) 77.714 3.784 ( 5.462 -7.296 0.404) 9.123 3.847 ( 4.154 -1.804 0.768) 4.594 4.004 ( 0.632 3.552 -4.245) 5.571 4.130 ( 2.506 7.394 0.383) 7.816 4.336 ( -2.159 9.287 0.047) 9.534 4.565 ( -3.421 0.827 -11.575) 12.098 4.636 ( 1.704 6.151 -5.279) 8.282 4.722 ( -5.184 5.668 -9.895) 12.527 4.783 ( -2.689 4.201 -14.766) 15.586 5.180 ( -6.220 9.247 -2.761) 11.481 5.307 ( -18.698 9.143 -3.057) 21.037 5.365 ( 3.643 20.507 10.689) 23.410 5.757 ( -1.443 2.186 2.779) 3.819 5.998 ( -11.130 7.325 -3.350) 13.739 6.036 ( -10.607 10.709 1.629) 15.160 6.090 ( -1.178 3.892 0.187) 4.070 6.604 ( -13.472 -4.508 3.905) 14.733 6.799 ( -3.793 1.862 -10.020) 10.875 7.003 ( 0.553 -4.719 2.046) 5.173 7.336 ( -8.610 2.305 -7.588) 11.706 7.717 ( -7.378 -9.405 -17.706) 21.363 8.226 ( -0.072 9.188 -9.098) 12.930 8.312 ( -10.386 1.392 -9.366) 14.055 9.090 ( -13.080 -13.192 4.988) 19.235 9.427 ( -7.129 6.586 1.461) 9.815 10.513 ( 9.648 -10.373 3.101) 14.502 10.594 ( 14.370 -9.022 -10.410) 19.906 11.110 ( 15.370 -8.719 10.557) 20.584 11.253 ( 13.435 -5.684 -1.021) 14.624 11.867 ( 4.573 -3.280 0.251) 5.633 11.992 ( 8.705 1.406 1.422) 8.932 12.268 ( 9.791 -3.370 5.145) 11.562 12.519 ( 5.495 -6.087 0.475) 8.214 12.557 ( 8.605 -3.589 4.812) 10.492 12.738 ( 3.648 -5.178 -1.835) 6.595 13.121 ( 4.216 -4.801 2.150) 6.742 13.292 ( 2.764 -1.226 5.236) 6.046 13.444 ( -3.872 2.767 -0.148) 4.762 13.766 ( 0.025 -1.971 0.009) 1.971 13.807 ( -0.860 1.293 -0.434) 1.613 13.923 ( -2.205 -0.150 -0.424) 2.251 13.937 ( -1.430 0.030 -0.679) 1.584 13.999 ( 0.428 0.975 -0.260) 1.096 14.053 ( -3.850 2.580 0.267) 4.643 14.267 ( 1.340 -2.208 -6.916) 7.383 16.805 ( 0.195 -3.011 -0.506) 3.059 16.849 ( 2.383 1.421 -0.589) 2.836 16.958 ( 2.719 -1.661 0.237) 3.195 17.036 ( -1.866 0.931 2.093) 2.954 17.076 ( 0.291 2.789 -1.148) 3.030 17.155 ( -0.940 -0.423 -0.252) 1.061 17.189 ( -0.025 3.102 1.036) 3.271 17.260 ( -4.323 2.953 0.065) 5.236 17.963 ( 5.608 -6.459 0.104) 8.554 18.032 ( 2.932 -2.893 0.022) 4.119 18.105 ( 5.097 -4.072 0.257) 6.529 18.178 ( 0.980 -0.581 0.090) 1.143 18.424 ( 2.002 -4.009 1.705) 4.795 18.573 ( 2.607 -1.516 2.033) 3.637 18.578 ( 5.456 -3.295 -2.075) 6.703 18.802 ( 2.004 -4.087 -0.655) 4.599 19.380 ( 0.634 -3.687 2.276) 4.379 19.460 ( 3.572 -0.508 -1.215) 3.807 19.628 ( -3.652 -1.654 1.931) 4.450 19.723 ( -1.577 3.450 -2.319) 4.446 20.118 ( 0.701 0.176 -0.977) 1.215 20.127 ( 1.382 0.027 -0.602) 1.508 20.158 ( -0.510 -1.875 -2.688) 3.316 20.212 ( -0.924 2.385 -2.006) 3.251 ======================= Grid point 106 (52/100) ======================= q-point: ( 0.14 0.14 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.613 ( 9.973 0.000 39.928) 41.155 3.186 ( 29.322 0.000 35.892) 46.347 3.982 ( -0.737 -0.000 -16.966) 16.982 4.120 ( 9.333 0.000 -3.461) 9.954 4.128 ( 12.119 0.000 -8.338) 14.711 4.234 ( 24.224 0.000 9.409) 25.987 4.367 ( 10.346 0.000 -12.554) 16.268 4.414 ( 24.293 0.000 3.904) 24.605 4.565 ( 20.409 0.000 -7.968) 21.909 4.733 ( 20.006 0.000 1.028) 20.033 4.770 ( 12.459 0.000 -11.116) 16.697 5.044 ( 15.402 0.000 -1.638) 15.489 5.143 ( 17.972 0.000 7.223) 19.369 5.711 ( -1.601 -0.000 -4.077) 4.380 5.753 ( -9.598 -0.000 -11.559) 15.024 5.895 ( 9.846 0.000 -6.157) 11.613 6.067 ( 21.345 0.000 2.540) 21.496 6.094 ( 19.483 0.000 8.261) 21.162 6.110 ( 7.710 0.000 5.148) 9.271 6.230 ( -0.952 -0.000 -9.416) 9.464 6.495 ( 6.869 0.000 20.577) 21.694 6.704 ( -4.068 -0.000 3.813) 5.576 6.857 ( -15.294 -0.000 -27.030) 31.057 7.327 ( -7.722 -0.000 -22.611) 23.893 7.692 ( 23.642 0.000 26.058) 35.185 8.394 ( 10.885 0.000 -8.582) 13.861 8.777 ( -17.839 -0.000 21.261) 27.753 8.781 ( -18.425 -0.000 17.065) 25.114 10.596 ( -8.222 -0.000 1.752) 8.407 10.646 ( -8.869 -0.000 -10.468) 13.720 11.290 ( -12.573 -0.000 -5.261) 13.629 11.293 ( -14.988 -0.000 -1.383) 15.051 12.108 ( -3.693 -0.000 -4.524) 5.840 12.119 ( 1.840 0.000 -2.973) 3.496 12.417 ( -15.774 -0.000 -5.030) 16.557 12.422 ( -11.040 -0.000 3.885) 11.704 12.524 ( -10.117 -0.000 1.088) 10.175 12.647 ( -7.370 -0.000 1.622) 7.547 13.093 ( -3.933 -0.000 -6.567) 7.655 13.393 ( -5.792 -0.000 8.016) 9.890 13.526 ( 1.381 0.000 7.052) 7.186 13.689 ( -7.162 -0.000 -3.345) 7.905 13.744 ( -2.424 -0.000 -2.526) 3.501 13.900 ( 4.623 0.000 2.087) 5.072 13.944 ( 3.771 0.000 0.352) 3.787 14.026 ( 1.221 0.000 1.127) 1.662 14.051 ( 5.306 0.000 0.318) 5.315 14.074 ( -2.428 -0.000 -6.472) 6.912 16.743 ( -3.599 -0.000 0.790) 3.685 16.881 ( 1.175 0.000 -0.807) 1.425 16.929 ( -5.887 -0.000 -1.974) 6.209 17.129 ( 4.393 0.000 -1.052) 4.517 17.176 ( 1.897 0.000 -0.620) 1.996 17.182 ( -0.125 -0.000 -1.639) 1.644 17.235 ( 5.283 0.000 0.858) 5.353 17.287 ( 7.483 0.000 1.518) 7.635 17.906 ( -7.475 -0.000 0.747) 7.512 17.933 ( -9.632 -0.000 -0.409) 9.641 18.090 ( -5.312 -0.000 0.402) 5.328 18.139 ( -7.045 -0.000 -0.747) 7.084 18.373 ( -6.129 -0.000 2.479) 6.612 18.525 ( -6.006 -0.000 -2.131) 6.372 18.602 ( -8.346 -0.000 -2.531) 8.721 18.674 ( -4.369 -0.000 1.898) 4.764 19.308 ( -6.037 -0.000 -0.689) 6.077 19.458 ( -4.128 -0.000 3.582) 5.466 19.514 ( -1.830 -0.000 -1.906) 2.642 19.784 ( 6.799 0.000 2.701) 7.316 20.069 ( -3.375 -0.000 -0.012) 3.375 20.149 ( 1.473 0.000 -2.656) 3.038 20.166 ( 2.412 0.000 -1.478) 2.829 20.224 ( 4.056 0.000 -0.526) 4.090 ======================= Grid point 107 (53/100) ======================= q-point: ( 0.29 0.14 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.024 ( 16.318 -5.926 27.772) 32.752 3.599 ( 22.171 12.431 17.796) 31.028 3.864 ( 2.760 6.869 -9.826) 12.302 4.107 ( 4.402 9.489 -8.873) 13.716 4.280 ( 9.262 6.578 -7.679) 13.712 4.399 ( 14.771 -1.986 -6.830) 16.394 4.469 ( 19.360 7.664 -24.720) 32.321 4.726 ( 12.359 1.525 -8.925) 15.320 4.835 ( 5.738 9.416 -5.605) 12.370 4.956 ( 13.986 -7.838 -8.126) 17.974 5.131 ( 6.801 -0.571 -5.406) 8.706 5.290 ( 17.933 1.004 -3.505) 18.299 5.430 ( 18.397 -15.830 12.678) 27.382 5.737 ( 17.586 -4.612 20.280) 27.236 5.786 ( 5.258 -16.697 0.491) 17.512 5.971 ( 9.040 3.454 -0.373) 9.684 6.132 ( 3.292 6.694 0.211) 7.462 6.170 ( 4.437 1.004 -0.748) 4.611 6.434 ( 6.460 -3.781 -10.036) 12.520 6.493 ( -15.049 -4.316 -8.519) 17.823 6.572 ( 19.860 -14.594 -6.391) 25.461 6.903 ( 25.194 -8.570 22.880) 35.095 7.087 ( 25.263 -27.445 -4.673) 37.594 7.358 ( 11.202 -6.478 8.571) 15.522 8.087 ( 16.508 4.541 20.410) 26.640 8.244 ( -8.373 17.141 5.882) 19.963 8.530 ( -4.509 11.974 13.245) 18.416 8.883 ( -9.808 -20.552 9.302) 24.599 10.332 ( -17.470 9.635 -9.312) 22.017 10.427 ( -13.131 4.447 -2.248) 14.045 10.866 ( -24.491 12.674 -7.524) 28.584 11.022 ( -19.589 2.416 -2.638) 19.912 11.939 ( -4.744 6.102 -4.602) 8.996 12.073 ( -17.688 5.309 -3.015) 18.712 12.185 ( -1.235 -6.360 -5.311) 8.377 12.235 ( -13.827 2.002 -2.102) 14.128 12.306 ( -10.539 6.601 7.308) 14.424 12.574 ( -10.498 -3.915 -0.352) 11.210 13.032 ( -2.052 -1.255 -6.395) 6.832 13.354 ( -6.053 -4.198 1.684) 7.556 13.520 ( -10.459 -0.126 -10.003) 14.472 13.560 ( -0.876 1.118 7.587) 7.719 13.725 ( -0.128 0.036 0.650) 0.663 13.952 ( 1.525 1.226 1.471) 2.448 14.004 ( 5.034 0.772 -0.310) 5.102 14.034 ( 1.506 0.252 -1.036) 1.845 14.055 ( 1.983 -0.605 2.111) 2.959 14.140 ( 3.482 -1.103 0.112) 3.654 16.702 ( -3.421 -0.719 1.396) 3.764 16.844 ( -4.743 -0.438 -1.595) 5.023 16.900 ( 1.863 -0.231 -1.290) 2.278 17.147 ( 0.086 1.411 -1.164) 1.831 17.185 ( 2.734 0.037 -2.945) 4.019 17.219 ( 2.051 -1.708 -1.008) 2.853 17.322 ( 4.805 -0.848 -0.066) 4.880 17.384 ( 5.282 0.609 1.248) 5.461 17.769 ( -9.764 0.990 -1.327) 9.903 17.805 ( -7.383 -0.003 0.510) 7.400 17.962 ( -6.909 3.370 0.202) 7.689 18.027 ( -8.608 -0.790 -0.235) 8.647 18.273 ( -7.247 0.873 1.442) 7.441 18.397 ( -7.699 1.359 -1.562) 7.973 18.464 ( -8.876 1.004 -0.497) 8.946 18.588 ( -7.545 -0.002 0.938) 7.603 19.225 ( -4.689 -0.805 -1.289) 4.929 19.368 ( -3.827 4.726 2.898) 6.736 19.557 ( -0.869 -7.062 1.285) 7.231 19.893 ( 7.443 1.314 1.599) 7.725 20.029 ( -3.515 -0.695 2.067) 4.137 20.152 ( 2.082 1.302 -2.727) 3.670 20.178 ( 2.660 1.807 -2.062) 3.820 20.285 ( 4.120 -0.160 -1.130) 4.275 ======================= Grid point 108 (54/100) ======================= q-point: ( 0.43 0.14 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.442 ( 17.462 -1.643 11.894) 21.192 3.532 ( 2.036 21.822 -0.011) 21.917 3.852 ( 11.238 10.987 6.783) 17.118 3.962 ( 0.120 18.658 -11.533) 21.935 4.204 ( 1.753 22.184 -3.940) 22.600 4.325 ( 6.469 10.331 -10.146) 15.859 4.377 ( 14.459 15.796 -21.580) 30.402 4.696 ( 14.132 -4.151 1.806) 14.840 4.897 ( 7.233 3.431 -2.357) 8.346 5.157 ( 5.328 -8.743 -8.550) 13.339 5.298 ( 12.025 -1.490 -8.773) 14.960 5.510 ( 7.946 -1.569 -5.240) 9.647 5.713 ( 8.811 1.946 4.414) 10.045 5.913 ( -2.426 3.765 3.703) 5.811 5.999 ( -5.550 -2.405 6.461) 8.851 6.098 ( 8.689 4.903 -0.773) 10.007 6.221 ( 5.544 6.408 7.370) 11.230 6.327 ( -2.919 1.437 1.504) 3.585 6.337 ( -3.632 1.146 4.408) 5.825 6.675 ( 21.618 -17.744 15.767) 32.106 7.048 ( 20.527 -15.999 -0.690) 26.035 7.495 ( 18.119 -8.810 14.087) 24.584 7.679 ( 10.250 0.243 15.421) 18.518 7.947 ( 16.236 -11.687 1.998) 20.105 8.085 ( 14.495 -15.962 -11.576) 24.472 8.224 ( 8.588 1.975 10.486) 13.697 8.280 ( -4.169 13.077 9.208) 16.528 9.184 ( 3.137 -22.637 0.407) 22.857 9.751 ( -28.139 20.096 -10.357) 36.096 9.979 ( -26.374 14.017 -4.870) 30.262 10.431 ( -11.165 -0.656 -4.817) 12.178 10.726 ( -16.814 -1.947 -3.052) 17.199 11.795 ( -12.950 -0.492 -1.912) 13.100 11.829 ( 0.293 1.261 -1.428) 1.927 12.009 ( -7.753 1.930 -2.198) 8.286 12.135 ( -9.022 2.245 8.853) 12.838 12.263 ( -1.968 -8.065 -2.860) 8.781 12.435 ( -12.116 -0.898 -2.443) 12.393 12.995 ( -2.006 -0.844 -3.792) 4.372 13.281 ( -10.617 -0.830 -1.742) 10.791 13.427 ( -1.294 -6.927 -7.454) 10.257 13.561 ( -0.617 -0.705 2.849) 2.999 13.730 ( 0.964 0.848 0.552) 1.398 13.954 ( 0.294 0.534 1.109) 1.265 14.044 ( 2.659 1.296 -0.248) 2.968 14.058 ( 2.882 1.307 -0.606) 3.222 14.115 ( 1.787 -1.342 2.711) 3.514 14.180 ( 1.429 0.328 0.311) 1.498 16.681 ( -2.777 -1.552 1.510) 3.521 16.795 ( -2.622 -1.283 -0.972) 3.077 16.933 ( 3.027 0.065 -0.622) 3.091 17.118 ( -0.690 1.134 -1.263) 1.832 17.191 ( -0.100 0.359 -2.159) 2.191 17.257 ( 1.960 -0.164 -1.827) 2.684 17.381 ( 3.594 0.901 -1.015) 3.842 17.424 ( 1.041 0.951 0.999) 1.728 17.634 ( -7.371 -1.322 -1.676) 7.674 17.728 ( -3.515 -1.433 -0.782) 3.875 17.854 ( -4.527 0.055 0.298) 4.537 17.941 ( -5.809 -3.048 0.086) 6.561 18.190 ( -5.080 -2.195 0.310) 5.542 18.296 ( -5.699 -0.669 0.608) 5.771 18.334 ( -6.515 -0.891 0.353) 6.585 18.503 ( -6.565 -2.879 0.257) 7.173 19.201 ( -1.297 -2.946 -1.473) 3.540 19.275 ( -2.929 3.199 3.761) 5.741 19.661 ( -0.820 -6.807 2.123) 7.177 19.953 ( 3.842 2.294 -0.462) 4.498 20.010 ( -2.620 -1.029 2.993) 4.109 20.141 ( 1.720 2.316 -3.265) 4.357 20.180 ( 3.487 2.320 -2.356) 4.806 20.326 ( 3.265 1.104 -1.553) 3.780 ======================= Grid point 109 (55/100) ======================= q-point: (-0.43 0.14 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.183 ( 2.872 31.990 14.864) 35.392 3.232 ( -12.313 40.745 -3.817) 42.735 3.670 ( 11.901 5.597 -1.916) 13.290 3.995 ( 21.121 10.361 0.656) 23.535 4.184 ( 10.336 6.157 -7.177) 14.008 4.237 ( 17.157 14.471 -0.925) 22.464 4.350 ( 5.848 4.720 -4.776) 8.904 4.859 ( 7.504 9.943 -5.762) 13.725 4.900 ( 7.157 2.702 1.853) 7.871 5.273 ( -2.502 -0.364 -8.978) 9.328 5.302 ( -7.325 14.832 7.264) 18.066 5.492 ( 2.664 8.189 -5.186) 10.052 5.533 ( -11.514 24.156 9.833) 28.509 5.781 ( -2.108 4.944 2.770) 6.047 5.867 ( 1.816 5.175 7.892) 9.611 6.101 ( -5.803 -1.015 10.715) 12.228 6.224 ( 6.505 6.721 5.535) 10.869 6.277 ( 6.876 7.761 3.487) 10.939 6.455 ( -4.903 -14.884 3.933) 16.157 6.959 ( -2.938 10.655 5.076) 12.162 7.250 ( -10.632 20.715 9.895) 25.300 7.506 ( -12.910 20.667 -1.889) 24.441 7.722 ( 8.192 2.609 -5.290) 10.094 7.875 ( 5.555 -0.235 -1.572) 5.778 8.184 ( 6.139 -0.434 -6.168) 8.713 8.650 ( 7.671 -13.680 3.252) 16.018 8.798 ( -1.295 -5.555 -12.131) 13.405 9.134 ( 5.051 -10.710 1.671) 11.958 9.337 ( -12.282 -6.712 -8.097) 16.170 9.785 ( 5.772 -23.063 -5.734) 24.456 10.421 ( -5.251 -11.086 -1.086) 12.315 10.655 ( -2.683 -11.894 1.152) 12.247 11.696 ( -6.504 -5.711 0.069) 8.655 11.881 ( 4.941 -1.489 2.251) 5.630 12.014 ( 2.447 -7.518 -2.269) 8.225 12.088 ( -1.526 -2.080 7.732) 8.151 12.241 ( -9.126 -1.880 1.559) 9.447 12.378 ( -2.431 -10.032 -3.712) 10.970 12.966 ( -0.972 0.228 0.631) 1.181 13.186 ( -5.532 -2.951 2.009) 6.584 13.472 ( -1.265 -3.463 -1.833) 4.118 13.625 ( 1.442 -7.560 -5.083) 9.223 13.734 ( 1.700 1.191 0.242) 2.089 13.961 ( 0.796 0.097 0.178) 0.821 14.038 ( 0.691 2.526 -0.491) 2.664 14.064 ( 2.989 3.088 -1.181) 4.457 14.147 ( -0.401 0.092 1.061) 1.138 14.188 ( -0.458 -0.561 0.988) 1.225 16.680 ( -1.769 -2.146 1.183) 3.022 16.803 ( 0.355 -2.109 0.799) 2.283 16.966 ( 3.591 2.203 -0.771) 4.283 17.082 ( -2.318 -0.375 -1.884) 3.010 17.149 ( -2.509 1.823 0.651) 3.169 17.261 ( 1.469 1.917 -1.735) 2.974 17.379 ( 1.199 3.849 -1.144) 4.191 17.414 ( -0.314 0.779 -0.764) 1.136 17.601 ( -2.582 -5.530 -0.587) 6.131 17.765 ( 1.261 -6.452 -1.543) 6.753 17.827 ( -2.246 -3.287 0.096) 3.983 17.967 ( -1.240 -6.887 -0.010) 6.997 18.184 ( -2.890 -3.940 0.956) 4.979 18.278 ( -2.075 -6.034 0.113) 6.382 18.349 ( 0.258 -5.768 1.421) 5.946 18.504 ( -3.018 -6.796 0.315) 7.442 19.238 ( -1.853 -0.484 4.433) 4.829 19.257 ( 2.698 -3.677 -0.747) 4.622 19.710 ( -3.109 -1.900 1.115) 3.810 19.944 ( 1.456 3.558 -2.867) 4.795 20.003 ( -2.969 -2.544 2.370) 4.573 20.115 ( 0.687 0.872 -2.708) 2.927 20.185 ( 3.553 2.629 -2.780) 5.222 20.331 ( 1.926 2.284 -1.867) 3.523 ======================= Grid point 110 (56/100) ======================= q-point: (-0.29 0.14 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.539 ( -7.175 36.236 14.582) 39.713 2.884 ( 7.645 36.008 30.744) 47.960 3.731 ( 11.639 5.863 -2.510) 13.272 4.046 ( 16.434 16.758 1.504) 23.519 4.225 ( 3.420 10.395 -0.867) 10.978 4.269 ( 7.235 7.440 -1.944) 10.558 4.446 ( 17.658 0.432 -2.268) 17.809 4.515 ( -18.366 43.665 31.162) 56.702 4.772 ( 7.780 14.334 -3.597) 16.701 4.858 ( 0.439 13.584 -1.204) 13.644 5.084 ( -9.502 10.764 -0.738) 14.377 5.218 ( -0.464 18.695 -18.855) 26.556 5.491 ( 4.657 9.128 0.268) 10.251 5.594 ( -13.438 5.716 -0.748) 14.622 5.923 ( 7.537 4.800 6.678) 11.155 5.954 ( -9.751 10.195 15.292) 20.805 6.161 ( 5.862 14.535 2.240) 15.832 6.295 ( -5.168 0.924 -0.294) 5.258 6.577 ( -8.472 21.413 3.059) 23.231 6.680 ( -15.874 17.878 9.754) 25.822 6.721 ( -0.903 -13.205 5.619) 14.379 6.889 ( -18.757 19.514 6.082) 27.742 7.612 ( 1.277 15.826 -17.780) 23.837 7.750 ( -11.704 7.970 -23.983) 27.851 8.188 ( 5.237 -4.755 -19.778) 21.005 8.475 ( -11.496 3.354 -5.524) 13.187 8.777 ( -19.262 -8.162 5.492) 21.629 9.340 ( 1.986 -13.188 -3.897) 13.894 9.934 ( 21.283 -28.998 -0.167) 35.971 10.176 ( 7.056 -18.819 -7.421) 21.425 10.630 ( 4.096 -23.009 -1.645) 23.428 10.934 ( 5.076 -16.681 5.953) 18.425 11.741 ( -2.233 -6.373 1.235) 6.865 11.996 ( 7.109 -1.277 -1.623) 7.403 12.103 ( 0.095 -7.053 5.470) 8.926 12.273 ( 5.069 -9.776 5.488) 12.304 12.313 ( -0.599 -13.383 3.837) 13.935 12.505 ( 2.850 -9.438 -1.694) 10.003 12.994 ( 1.796 -2.040 5.039) 5.726 13.211 ( -1.043 -3.832 5.637) 6.895 13.483 ( 0.053 -0.799 -1.524) 1.722 13.703 ( -0.120 -3.555 -3.309) 4.858 13.764 ( 1.575 -2.585 -2.204) 3.745 13.963 ( 0.473 1.165 -1.529) 1.980 13.994 ( 0.056 3.583 -0.552) 3.626 14.051 ( 2.425 2.975 -0.841) 3.929 14.116 ( -2.164 1.657 -0.036) 2.725 14.190 ( -2.018 -2.150 -1.243) 3.200 16.709 ( 0.025 -2.913 1.155) 3.134 16.868 ( 2.929 -2.196 2.589) 4.483 16.947 ( 0.639 3.084 -2.614) 4.093 17.066 ( -1.198 -1.636 0.091) 2.030 17.096 ( -1.222 2.054 1.599) 2.876 17.228 ( 0.700 3.794 -0.966) 3.977 17.309 ( -1.570 4.059 -1.592) 4.634 17.371 ( 0.035 4.154 -1.612) 4.456 17.712 ( 1.511 -9.972 0.321) 10.091 17.858 ( -1.361 -7.095 -0.807) 7.269 17.937 ( 4.671 -8.263 -0.215) 9.494 18.057 ( -1.458 -7.187 -0.252) 7.338 18.255 ( 0.437 -6.905 1.922) 7.181 18.379 ( 0.591 -9.019 -1.509) 9.164 18.482 ( 3.225 -6.132 2.631) 7.411 18.603 ( -0.375 -9.209 0.677) 9.241 19.272 ( 0.051 -2.680 5.168) 5.822 19.369 ( 4.649 -4.465 -0.517) 6.467 19.647 ( -5.023 1.554 -0.035) 5.258 19.848 ( -1.814 5.419 -5.622) 8.017 20.041 ( -1.155 -4.660 1.071) 4.919 20.117 ( 0.702 -0.616 -0.922) 1.312 20.173 ( 1.653 2.340 -3.043) 4.179 20.297 ( 0.224 3.130 -2.383) 3.940 ======================= Grid point 111 (57/100) ======================= q-point: (-0.14 0.14 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.234 ( 5.613 18.629 36.789) 41.617 2.625 ( -1.011 31.617 41.227) 51.964 3.810 ( 1.448 35.004 44.863) 56.922 3.836 ( 9.352 3.446 4.114) 10.783 4.065 ( 11.269 13.786 1.577) 17.875 4.152 ( 2.282 11.511 -3.763) 12.323 4.297 ( 8.103 5.451 -7.344) 12.219 4.542 ( -4.223 14.433 -5.092) 15.877 4.633 ( 17.771 10.009 -9.329) 22.428 4.736 ( -3.347 17.962 -11.156) 21.408 4.769 ( -4.890 11.508 -4.957) 13.450 4.903 ( 14.726 6.816 -3.841) 16.676 5.141 ( -15.052 15.570 -3.251) 21.899 5.403 ( 8.987 15.587 1.620) 18.065 5.816 ( 2.227 10.342 14.018) 17.562 5.967 ( -5.386 6.328 -0.905) 8.359 5.990 ( -2.382 12.277 4.484) 13.285 6.122 ( 7.913 15.937 -10.011) 20.416 6.162 ( -2.744 12.239 6.922) 14.326 6.339 ( -10.551 5.101 10.454) 15.704 6.762 ( 1.425 -3.652 15.258) 15.753 6.946 ( -3.483 -3.583 -6.196) 7.959 7.284 ( -4.446 8.333 -8.922) 12.993 7.403 ( -7.214 1.448 -30.682) 31.552 8.063 ( -16.929 0.652 -16.815) 23.869 8.260 ( -0.101 2.950 -17.433) 17.682 8.685 ( -19.622 -13.658 10.984) 26.310 9.377 ( -7.483 0.609 0.579) 7.530 10.442 ( 5.275 -15.049 0.178) 15.948 10.514 ( 9.152 -17.428 -12.633) 23.389 11.075 ( 5.897 -21.869 5.982) 23.427 11.227 ( 1.321 -13.825 1.000) 13.924 11.830 ( 0.831 -7.877 3.180) 8.535 12.115 ( 7.758 -0.445 -2.111) 8.052 12.283 ( 1.013 -10.470 5.662) 11.946 12.459 ( -3.343 -10.481 6.097) 12.577 12.497 ( -3.428 -12.123 0.856) 12.627 12.702 ( 7.343 -5.656 -1.152) 9.340 13.117 ( 2.598 -4.968 7.841) 9.638 13.299 ( 0.936 -2.943 7.787) 8.377 13.483 ( 3.212 2.571 -2.243) 4.686 13.728 ( 0.309 -2.708 -2.071) 3.424 13.783 ( -1.377 -0.506 -1.196) 1.893 13.928 ( -0.153 2.376 -1.360) 2.742 13.940 ( -0.922 2.287 -0.687) 2.560 14.027 ( -1.901 2.762 0.214) 3.360 14.054 ( -0.012 2.777 -0.373) 2.802 14.183 ( -2.085 -3.338 -6.322) 7.448 16.765 ( 0.608 -2.788 1.115) 3.064 16.887 ( -0.780 1.808 -1.623) 2.552 16.979 ( 3.374 -3.338 3.136) 5.689 17.055 ( -0.093 1.700 1.349) 2.172 17.103 ( 2.655 -0.385 -0.302) 2.700 17.172 ( 0.198 4.003 -0.517) 4.041 17.215 ( -2.484 3.410 -1.040) 4.345 17.297 ( 0.682 5.215 -1.679) 5.521 17.889 ( 1.199 -9.902 0.582) 9.992 17.943 ( -1.183 -7.450 -0.635) 7.570 18.105 ( -0.346 -6.047 0.174) 6.060 18.120 ( 0.275 -5.912 -0.085) 5.919 18.366 ( -0.661 -6.063 2.129) 6.459 18.506 ( 0.024 -7.993 -1.588) 8.150 18.612 ( 3.007 -3.580 2.572) 5.336 18.715 ( -2.250 -6.953 -0.296) 7.314 19.343 ( -0.454 -3.526 3.908) 5.283 19.491 ( 4.985 -2.334 -0.296) 5.513 19.561 ( -4.942 0.039 0.752) 4.999 19.725 ( -1.693 3.082 -5.615) 6.625 20.093 ( 0.053 -3.198 -0.415) 3.225 20.132 ( 0.242 -0.436 -1.027) 1.142 20.144 ( 0.088 1.084 -1.719) 2.035 20.233 ( -0.467 3.238 -2.674) 4.226 ======================= Grid point 114 (58/100) ======================= q-point: ( 0.29 0.29 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.389 ( 22.915 0.000 18.525) 29.467 3.806 ( 9.434 0.000 -19.313) 21.494 4.075 ( 11.482 0.000 2.069) 11.667 4.270 ( 4.860 0.000 -4.173) 6.406 4.430 ( 6.335 0.000 -3.165) 7.081 4.696 ( 18.110 0.000 10.958) 21.167 4.765 ( 25.531 0.000 -22.475) 34.014 4.799 ( 11.813 0.000 -8.921) 14.803 5.056 ( 4.177 0.000 -5.506) 6.911 5.160 ( 9.702 0.000 -9.053) 13.269 5.200 ( 6.725 0.000 -0.485) 6.742 5.226 ( -1.634 -0.000 -1.504) 2.221 5.700 ( 22.098 0.000 4.601) 22.572 5.716 ( 11.745 0.000 -5.446) 12.946 6.076 ( -4.460 -0.000 -5.127) 6.795 6.085 ( 19.806 0.000 27.535) 33.918 6.128 ( -5.712 -0.000 2.325) 6.168 6.414 ( 29.781 0.000 -0.130) 29.782 6.472 ( 15.686 0.000 3.572) 16.087 6.734 ( 26.921 0.000 -14.897) 30.768 6.834 ( 28.847 0.000 2.578) 28.962 7.090 ( 31.301 0.000 -19.081) 36.658 7.264 ( 17.554 0.000 25.066) 30.602 7.608 ( 17.038 0.000 21.389) 27.346 8.268 ( -6.334 -0.000 7.372) 9.719 8.421 ( -16.062 -0.000 13.602) 21.047 8.533 ( 5.255 0.000 2.388) 5.772 8.668 ( -1.386 -0.000 18.419) 18.471 10.056 ( -25.960 -0.000 -7.759) 27.094 10.221 ( -17.758 -0.000 -0.834) 17.777 10.548 ( -33.453 -0.000 -7.528) 34.290 10.572 ( -32.180 -0.000 -10.232) 33.767 11.807 ( -19.113 -0.000 -6.136) 20.073 11.844 ( -10.730 -0.000 -4.490) 11.632 12.038 ( -13.541 -0.000 0.677) 13.558 12.086 ( 0.400 0.000 -5.904) 5.917 12.193 ( -14.546 -0.000 6.429) 15.903 12.409 ( -7.612 -0.000 -4.043) 8.619 12.989 ( 1.001 0.000 -6.464) 6.541 13.229 ( -6.846 -0.000 0.485) 6.863 13.322 ( -8.690 -0.000 -9.181) 12.641 13.602 ( -1.763 -0.000 10.415) 10.563 13.728 ( 0.364 0.000 1.251) 1.303 13.989 ( 0.433 0.000 1.087) 1.170 14.018 ( -0.540 -0.000 0.433) 0.692 14.083 ( 1.140 0.000 2.497) 2.745 14.092 ( 5.765 0.000 -1.378) 5.928 14.196 ( 3.923 0.000 -1.255) 4.119 16.661 ( -2.907 -0.000 3.275) 4.379 16.773 ( -3.192 -0.000 -1.314) 3.452 16.919 ( 2.250 0.000 -2.058) 3.049 17.162 ( 0.592 0.000 -0.099) 0.600 17.185 ( -0.223 -0.000 -2.412) 2.423 17.248 ( 4.294 0.000 -3.727) 5.686 17.380 ( 3.643 0.000 0.187) 3.648 17.451 ( 2.385 0.000 0.358) 2.412 17.603 ( -11.329 -0.000 -1.735) 11.461 17.715 ( -5.521 -0.000 -0.169) 5.524 17.860 ( -9.559 -0.000 -1.302) 9.648 17.885 ( -8.391 -0.000 1.394) 8.505 18.170 ( -7.873 -0.000 1.061) 7.944 18.263 ( -9.243 -0.000 -1.966) 9.450 18.340 ( -9.835 -0.000 1.136) 9.900 18.451 ( -10.825 -0.000 0.362) 10.831 19.155 ( -2.493 -0.000 -1.387) 2.852 19.438 ( -0.920 -0.000 6.332) 6.398 19.441 ( -2.365 -0.000 1.476) 2.788 19.990 ( -3.632 -0.000 5.113) 6.272 19.992 ( 4.338 0.000 -2.012) 4.782 20.190 ( 3.879 0.000 -2.872) 4.826 20.213 ( 2.269 0.000 -3.950) 4.555 20.340 ( 4.246 0.000 -1.937) 4.667 ======================= Grid point 115 (59/100) ======================= q-point: (-0.57 0.29 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.775 ( 20.456 4.216 5.277) 21.542 3.855 ( 14.132 9.229 -3.628) 17.264 4.125 ( 11.313 8.711 -2.200) 14.447 4.360 ( 9.240 9.309 4.571) 13.890 4.462 ( 5.617 0.944 0.740) 5.744 4.516 ( -3.480 26.918 -1.465) 27.181 4.823 ( 16.949 18.214 -12.159) 27.692 4.898 ( 7.235 -2.051 -7.251) 10.446 5.094 ( 1.433 0.551 -2.656) 3.068 5.188 ( 21.862 10.712 5.050) 24.863 5.372 ( 3.480 -7.511 2.866) 8.760 5.450 ( 2.575 -7.479 -3.334) 8.584 5.859 ( -6.988 2.982 0.399) 7.608 5.907 ( -0.482 -11.233 -0.275) 11.247 5.954 ( 15.440 6.099 1.386) 16.659 6.235 ( 10.478 8.358 9.453) 16.401 6.445 ( 13.816 -0.889 2.731) 14.111 6.628 ( 13.577 16.498 2.778) 21.546 6.770 ( 24.028 22.374 1.269) 32.856 7.008 ( 29.375 3.268 14.834) 33.070 7.179 ( 24.949 -8.421 -5.697) 26.941 7.639 ( 9.542 -6.269 14.486) 18.444 7.875 ( 18.870 -20.363 -4.850) 28.183 7.906 ( 18.536 -7.567 -3.321) 20.295 8.104 ( -1.855 3.586 5.759) 7.033 8.306 ( 1.550 -4.336 9.989) 10.999 8.507 ( -6.869 16.532 5.772) 18.810 8.851 ( -0.184 -23.677 1.249) 23.711 9.509 ( -32.382 11.702 -7.245) 35.186 9.691 ( -38.925 17.756 -8.195) 43.561 10.088 ( -19.626 -11.946 -6.946) 24.003 10.238 ( -28.720 -16.992 -6.463) 33.991 11.551 ( -13.326 -2.270 -2.745) 13.794 11.726 ( -9.202 -7.978 -2.396) 12.413 11.878 ( -7.233 -0.294 0.689) 7.272 12.023 ( -11.191 -1.141 7.760) 13.666 12.136 ( 0.523 -5.149 -2.185) 5.618 12.266 ( -8.063 0.675 -7.214) 10.840 12.982 ( 2.252 0.551 -4.374) 4.951 13.133 ( -6.406 -0.358 -0.617) 6.446 13.275 ( 0.048 -6.867 -5.395) 8.733 13.593 ( -1.879 2.899 7.853) 8.579 13.754 ( 1.156 -0.567 1.734) 2.159 13.973 ( -0.337 1.303 0.912) 1.626 14.041 ( -0.749 -2.062 1.551) 2.687 14.106 ( 0.771 0.102 1.682) 1.853 14.151 ( 3.803 0.689 -1.788) 4.259 14.219 ( 1.836 1.377 -2.104) 3.114 16.649 ( -1.642 -0.243 4.102) 4.426 16.749 ( -0.785 -1.151 0.410) 1.452 16.952 ( 2.133 -1.696 -2.044) 3.406 17.134 ( -0.371 2.773 -2.775) 3.941 17.186 ( -0.133 -0.046 0.360) 0.386 17.285 ( 3.596 0.218 -3.452) 4.990 17.413 ( 0.395 0.039 0.348) 0.528 17.440 ( -3.371 0.753 -0.835) 3.554 17.488 ( -4.073 -2.489 -1.238) 4.932 17.642 ( -4.740 -1.726 -2.543) 5.649 17.764 ( -4.568 -1.658 -0.208) 4.864 17.805 ( -5.934 -3.352 1.152) 6.912 18.078 ( -5.232 -1.268 -0.276) 5.390 18.177 ( -5.911 -3.771 0.025) 7.012 18.205 ( -9.100 -1.415 1.525) 9.334 18.327 ( -9.574 -4.412 -0.354) 10.548 19.151 ( 0.806 -1.847 -0.681) 2.127 19.345 ( -0.594 5.879 5.344) 7.967 19.554 ( -1.009 -7.396 4.470) 8.700 19.964 ( -3.306 0.540 4.958) 5.984 20.005 ( -0.223 -0.345 -2.885) 2.914 20.189 ( 1.842 3.065 -5.723) 6.748 20.237 ( 3.848 0.549 -4.310) 5.804 20.378 ( 3.112 0.873 -2.242) 3.933 ======================= Grid point 116 (60/100) ======================= q-point: (-0.43 0.29 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.603 ( 0.371 32.901 4.156) 33.165 3.937 ( 7.324 33.749 12.729) 36.806 4.017 ( 18.256 12.104 -0.682) 21.915 4.313 ( 12.385 4.599 -5.294) 14.233 4.448 ( 8.905 1.589 4.123) 9.941 4.629 ( 10.526 5.283 4.827) 12.729 4.711 ( 18.710 22.686 -2.701) 29.530 4.981 ( 3.114 -1.557 -4.763) 5.899 5.078 ( -6.280 -6.878 -3.228) 9.858 5.294 ( 17.087 17.466 7.172) 25.465 5.341 ( -9.712 4.742 -4.369) 11.658 5.589 ( 5.796 -1.442 -1.294) 6.111 5.678 ( -7.271 9.001 7.732) 13.916 5.945 ( -7.044 16.739 14.831) 23.447 6.028 ( 12.797 10.704 -1.144) 16.723 6.202 ( 0.710 -0.714 13.046) 13.085 6.427 ( 3.005 19.892 -4.364) 20.586 6.538 ( 8.613 14.341 13.755) 21.658 6.765 ( 18.608 22.798 4.552) 29.778 7.208 ( 8.711 18.452 3.372) 20.682 7.466 ( -3.355 14.207 8.391) 16.837 7.619 ( -7.215 22.050 -10.729) 25.561 7.769 ( -0.491 -1.454 -0.108) 1.538 7.920 ( -8.140 11.761 -3.488) 14.722 8.245 ( 6.793 -1.300 -9.116) 11.443 8.492 ( -2.178 -8.390 -8.613) 12.219 8.622 ( -15.635 4.882 -11.199) 19.841 8.940 ( -20.817 -7.794 -7.603) 23.492 9.051 ( 15.025 -22.994 2.758) 27.606 9.416 ( 4.487 -32.887 -5.740) 33.684 9.993 ( -17.601 -20.524 -7.503) 28.060 10.300 ( -9.678 -27.080 2.488) 28.865 11.497 ( -4.797 -8.459 0.733) 9.752 11.778 ( -7.740 -15.947 -1.467) 17.787 11.875 ( -0.912 -5.259 3.009) 6.127 12.000 ( -5.491 -8.004 7.873) 12.498 12.106 ( -5.490 0.226 -1.739) 5.763 12.263 ( 4.807 -6.702 -2.777) 8.703 12.998 ( 3.538 1.011 -1.247) 3.886 13.107 ( -1.183 -3.179 2.671) 4.317 13.392 ( 3.438 -6.760 -3.031) 8.168 13.571 ( -0.685 0.270 2.553) 2.657 13.781 ( 1.628 0.899 1.729) 2.539 13.964 ( -0.209 -0.273 -0.336) 0.480 14.053 ( -1.329 -0.397 1.807) 2.278 14.113 ( -0.057 0.378 0.439) 0.582 14.160 ( 1.094 1.812 -1.917) 2.855 14.194 ( 0.085 2.340 -2.035) 3.102 16.658 ( -0.102 -0.522 3.328) 3.370 16.791 ( 1.593 -2.455 3.185) 4.325 16.992 ( -1.475 -2.935 -2.088) 3.892 17.064 ( 1.145 4.076 -3.193) 5.303 17.165 ( -0.868 2.114 1.369) 2.664 17.309 ( 2.870 1.628 -1.709) 3.716 17.385 ( -2.636 0.912 -1.283) 3.071 17.428 ( 0.824 -2.460 -0.716) 2.691 17.487 ( -1.065 -2.600 -1.238) 3.070 17.645 ( -1.725 -7.580 -3.376) 8.475 17.748 ( -1.603 -2.881 0.214) 3.304 17.833 ( -2.480 -7.147 0.481) 7.580 18.074 ( -2.489 -4.924 0.484) 5.538 18.141 ( -4.098 -6.059 0.431) 7.327 18.237 ( -1.711 -9.119 1.377) 9.380 18.325 ( -4.272 -9.463 -0.344) 10.389 19.213 ( 2.021 -2.556 2.178) 3.920 19.321 ( 2.859 2.558 5.348) 6.581 19.631 ( -2.637 -3.409 1.831) 4.683 19.932 ( -2.394 -1.328 0.190) 2.745 19.978 ( -2.923 1.183 0.725) 3.236 20.129 ( 0.802 2.652 -6.038) 6.643 20.241 ( 2.263 1.807 -5.530) 6.242 20.378 ( 1.376 2.286 -2.351) 3.556 ======================= Grid point 117 (61/100) ======================= q-point: (-0.29 0.29 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.107 ( 2.296 37.417 11.121) 39.102 3.631 ( 0.139 34.564 27.458) 44.143 4.052 ( 11.816 12.115 -5.314) 17.738 4.248 ( -2.966 4.861 -8.164) 9.953 4.469 ( -0.847 10.108 -4.424) 11.066 4.580 ( 7.956 16.373 3.668) 18.569 4.843 ( 25.674 7.612 -0.858) 26.792 4.929 ( -5.210 11.941 2.504) 13.267 5.015 ( -9.233 9.851 4.899) 14.363 5.105 ( 6.833 8.132 -5.711) 12.059 5.214 ( 7.424 22.185 6.662) 24.325 5.391 ( -4.022 10.568 12.718) 17.018 5.581 ( -0.167 22.628 -7.961) 23.988 5.666 ( -5.637 12.375 11.091) 17.548 6.039 ( 6.954 9.326 3.542) 12.161 6.124 ( -0.644 13.375 0.750) 13.411 6.363 ( 0.762 -0.242 13.305) 13.329 6.518 ( -0.016 2.860 11.215) 11.574 6.700 ( 8.596 19.048 8.919) 22.722 6.829 ( -11.010 26.007 4.321) 28.570 6.956 ( -7.764 32.855 -0.728) 33.768 7.060 ( -2.239 22.549 8.380) 24.160 7.612 ( -3.987 12.591 -22.911) 26.445 7.749 ( -0.517 9.347 -15.757) 18.328 8.039 ( -10.281 4.664 -21.008) 23.849 8.264 ( -13.901 -2.315 -7.276) 15.860 8.410 ( -16.449 -6.693 0.295) 17.761 9.099 ( 4.311 -18.767 -10.657) 22.008 9.777 ( 15.143 -30.542 -2.815) 34.206 9.909 ( 6.448 -23.777 -9.009) 26.232 10.246 ( 1.087 -33.214 3.243) 33.389 10.616 ( -6.907 -28.574 2.661) 29.517 11.604 ( -1.015 -8.797 2.467) 9.192 11.914 ( -5.366 -17.000 -2.912) 18.063 11.960 ( -4.503 -9.264 4.637) 11.296 12.136 ( 5.024 -6.201 0.694) 8.011 12.142 ( -4.391 -11.601 8.795) 15.206 12.470 ( 8.662 -9.473 -0.805) 12.861 13.054 ( 4.656 0.381 3.984) 6.140 13.193 ( 2.324 -4.960 3.026) 6.258 13.496 ( 3.851 -0.841 1.435) 4.194 13.605 ( 0.714 -5.109 -4.854) 7.084 13.793 ( 1.413 1.597 1.676) 2.712 13.957 ( -0.746 -0.177 -3.094) 3.188 14.029 ( -1.734 1.784 1.255) 2.787 14.101 ( -0.494 0.879 -1.829) 2.088 14.120 ( -1.346 1.337 -0.177) 1.906 14.142 ( -0.844 3.043 -1.174) 3.369 16.698 ( 1.537 -1.517 2.739) 3.487 16.883 ( 2.452 -3.135 4.630) 6.106 16.940 ( -3.608 0.648 -3.728) 5.229 17.064 ( 2.327 0.442 0.121) 2.371 17.133 ( 0.494 2.096 0.976) 2.364 17.292 ( 0.686 3.401 -1.590) 3.816 17.311 ( -1.949 3.006 -2.239) 4.225 17.433 ( 1.309 3.440 -3.038) 4.772 17.585 ( 1.615 -10.142 1.175) 10.337 17.721 ( -1.332 -7.516 -2.848) 8.147 17.853 ( 2.303 -9.305 0.867) 9.625 17.904 ( -2.796 -8.037 -0.569) 8.529 18.150 ( -1.000 -7.919 1.874) 8.199 18.237 ( 0.921 -9.343 -1.073) 9.450 18.397 ( 0.292 -11.824 2.286) 12.046 18.442 ( -0.420 -10.254 0.113) 10.263 19.280 ( 0.606 -1.005 7.200) 7.296 19.412 ( 7.009 -1.764 2.062) 7.516 19.584 ( -5.046 0.748 -1.802) 5.410 19.860 ( -3.317 5.195 -6.521) 8.973 19.970 ( -0.857 -4.622 2.351) 5.256 20.111 ( 0.717 -0.476 -1.236) 1.506 20.203 ( 0.355 2.281 -4.858) 5.378 20.329 ( -0.502 3.400 -2.767) 4.412 ======================= Grid point 118 (62/100) ======================= q-point: (-0.14 0.29 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.819 ( 10.415 24.232 23.648) 35.425 3.192 ( -9.352 32.566 33.239) 47.464 3.931 ( -10.505 0.057 -10.333) 14.735 4.097 ( 1.491 7.614 -1.408) 7.885 4.340 ( 5.923 5.706 -14.113) 16.334 4.404 ( -4.394 10.904 -3.628) 12.303 4.618 ( -1.973 18.554 -2.868) 18.878 4.773 ( 4.073 18.943 5.576) 20.162 4.874 ( -2.972 14.188 0.719) 14.513 5.050 ( 2.136 16.476 -5.827) 17.606 5.123 ( 17.371 17.788 -5.274) 25.416 5.224 ( 17.972 21.204 5.950) 28.425 5.325 ( 5.367 14.573 5.708) 16.546 5.401 ( -9.629 -1.791 0.612) 9.813 6.037 ( -9.757 13.706 2.427) 16.998 6.055 ( 0.348 10.537 9.476) 14.176 6.083 ( 12.829 14.033 8.514) 20.832 6.347 ( 0.322 16.978 6.795) 18.290 6.574 ( -0.828 11.028 0.955) 11.100 6.672 ( -0.172 -1.293 -2.310) 2.652 6.833 ( 15.880 17.447 12.892) 26.884 6.932 ( 6.716 4.201 16.840) 18.610 7.231 ( -3.072 17.429 -19.710) 26.489 7.500 ( 6.476 14.172 -10.422) 18.746 7.728 ( -15.281 1.693 -16.430) 22.502 8.123 ( -5.634 -4.019 -10.157) 12.291 8.314 ( -13.262 -9.606 4.375) 16.950 9.274 ( 0.051 -4.398 -3.021) 5.336 10.225 ( 1.278 -19.483 -10.626) 22.229 10.259 ( 3.340 -23.023 -9.054) 24.963 10.762 ( -2.367 -27.873 5.803) 28.569 10.899 ( -6.676 -24.156 0.691) 25.071 11.736 ( 1.073 -8.350 4.354) 9.478 12.054 ( -5.861 -15.077 -2.987) 16.450 12.088 ( -4.940 -14.347 3.018) 15.471 12.260 ( -1.988 -6.367 6.257) 9.146 12.298 ( -1.119 -7.807 3.583) 8.662 12.709 ( 5.406 -7.150 -1.293) 9.056 13.133 ( 0.587 -1.068 6.267) 6.384 13.325 ( 5.214 -3.963 1.384) 6.694 13.565 ( 4.265 0.819 1.833) 4.714 13.650 ( -0.176 -4.702 -7.595) 8.934 13.783 ( -0.586 2.011 0.789) 2.239 13.923 ( -0.463 0.353 -3.221) 3.274 13.968 ( -2.008 2.785 0.495) 3.469 14.035 ( -2.280 3.728 -0.946) 4.471 14.070 ( -2.104 0.497 -1.439) 2.597 14.130 ( 1.577 0.598 0.362) 1.725 16.758 ( 1.317 -1.322 2.196) 2.881 16.869 ( -1.953 0.661 -2.938) 3.590 16.968 ( -0.952 -2.603 3.494) 4.460 17.085 ( 1.892 0.348 0.008) 1.924 17.156 ( 4.273 -0.349 0.601) 4.329 17.222 ( -0.920 2.870 -1.342) 3.300 17.245 ( 0.435 4.289 -1.194) 4.473 17.373 ( 1.095 4.611 -2.912) 5.563 17.766 ( 1.240 -9.155 1.227) 9.319 17.805 ( -0.939 -8.227 -1.927) 8.501 17.947 ( -4.954 -7.317 -0.193) 8.838 18.033 ( 1.142 -8.297 0.302) 8.381 18.260 ( -1.198 -7.402 1.443) 7.636 18.375 ( 0.098 -7.924 -0.623) 7.949 18.544 ( -3.737 -9.365 0.940) 10.127 18.576 ( 0.685 -6.852 1.066) 6.968 19.314 ( -2.290 -0.660 4.714) 5.282 19.489 ( -4.168 0.402 -0.099) 4.189 19.563 ( 6.907 -1.140 1.368) 7.133 19.723 ( -0.399 3.144 -6.408) 7.149 20.043 ( 0.627 -4.345 0.340) 4.403 20.121 ( -0.366 -0.006 -0.721) 0.809 20.154 ( -0.520 1.653 -1.642) 2.388 20.258 ( -0.352 2.679 -2.665) 3.795 ======================= Grid point 122 (63/100) ======================= q-point: ( 0.43 -0.57 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.156 ( 19.288 0.000 1.205) 19.325 4.169 ( 21.807 0.000 1.631) 21.868 4.422 ( 8.537 0.000 2.190) 8.813 4.468 ( 7.917 0.000 5.506) 9.643 4.502 ( 5.253 0.000 3.087) 6.093 4.783 ( -7.446 -0.000 2.223) 7.771 4.825 ( -3.644 -0.000 -2.088) 4.200 4.898 ( -10.159 -0.000 6.299) 11.953 5.227 ( 1.200 0.000 1.792) 2.157 5.275 ( 5.143 0.000 -3.705) 6.339 5.499 ( 22.982 0.000 -11.358) 25.635 5.581 ( 0.025 0.000 10.754) 10.754 5.791 ( 0.323 0.000 3.146) 3.162 5.964 ( 12.678 0.000 9.302) 15.724 6.316 ( 13.984 0.000 2.985) 14.299 6.511 ( 1.795 0.000 -3.252) 3.714 6.565 ( 18.419 0.000 6.433) 19.511 7.078 ( 19.525 0.000 8.667) 21.362 7.269 ( 15.927 0.000 -12.604) 20.311 7.371 ( 9.943 0.000 3.469) 10.531 7.469 ( 9.901 0.000 9.834) 13.955 7.885 ( 17.110 0.000 0.650) 17.123 7.968 ( 35.037 0.000 -10.390) 36.545 8.066 ( -4.774 -0.000 5.351) 7.171 8.096 ( 2.620 0.000 -0.070) 2.621 8.332 ( 13.697 0.000 6.232) 15.048 8.463 ( -7.725 -0.000 1.607) 7.890 8.689 ( -6.177 -0.000 -1.691) 6.404 9.060 ( -39.512 -0.000 -2.855) 39.615 9.359 ( -40.541 -0.000 -12.690) 42.481 9.413 ( -29.167 -0.000 -12.670) 31.800 9.646 ( -19.533 -0.000 -2.434) 19.684 11.376 ( -6.418 -0.000 -1.256) 6.540 11.496 ( -9.849 -0.000 -1.012) 9.901 11.777 ( -5.612 -0.000 3.972) 6.876 11.896 ( -9.192 -0.000 6.783) 11.424 12.113 ( -1.722 -0.000 -4.545) 4.860 12.160 ( 1.840 0.000 -7.444) 7.668 13.012 ( 5.451 0.000 -5.781) 7.946 13.050 ( -4.371 -0.000 -3.106) 5.362 13.270 ( 7.065 0.000 2.775) 7.590 13.622 ( -3.189 -0.000 7.881) 8.502 13.775 ( 1.606 0.000 2.337) 2.836 13.978 ( -1.264 -0.000 -0.370) 1.317 14.018 ( -0.874 -0.000 3.035) 3.158 14.115 ( -0.557 -0.000 1.823) 1.906 14.194 ( 2.467 0.000 -3.257) 4.085 14.235 ( 0.730 0.000 -2.967) 3.055 16.661 ( -0.043 -0.000 5.507) 5.507 16.753 ( 1.432 0.000 3.056) 3.374 16.934 ( -0.719 -0.000 -3.901) 3.966 17.131 ( -0.216 -0.000 -3.220) 3.228 17.197 ( 0.447 0.000 0.048) 0.449 17.317 ( -1.070 -0.000 -2.027) 2.292 17.358 ( 1.600 0.000 -0.697) 1.745 17.412 ( -0.982 -0.000 0.768) 1.247 17.472 ( 0.126 0.000 -1.005) 1.013 17.530 ( -5.008 -0.000 -5.051) 7.113 17.706 ( -4.126 -0.000 1.216) 4.302 17.717 ( -0.677 -0.000 0.777) 1.030 18.032 ( -1.424 -0.000 -0.702) 1.588 18.055 ( -5.027 -0.000 0.256) 5.033 18.080 ( -6.659 -0.000 1.337) 6.792 18.148 ( -7.852 -0.000 -1.413) 7.978 19.170 ( 3.546 0.000 0.710) 3.617 19.424 ( -0.672 -0.000 4.382) 4.434 19.513 ( 1.306 0.000 8.085) 8.190 19.941 ( -3.350 -0.000 -8.000) 8.673 19.959 ( -3.793 -0.000 9.995) 10.690 20.198 ( 0.580 0.000 -7.775) 7.797 20.261 ( 2.638 0.000 -7.534) 7.982 20.413 ( 2.157 0.000 -2.161) 3.053 ======================= Grid point 124 (64/100) ======================= q-point: (-0.43 0.43 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.121 ( 2.120 27.190 3.959) 27.558 4.285 ( -1.883 8.138 -5.758) 10.145 4.377 ( -7.007 12.295 4.681) 14.905 4.485 ( -7.209 1.606 7.847) 10.776 4.579 ( 10.878 3.346 1.552) 11.486 4.752 ( 3.323 -5.534 5.637) 8.570 4.850 ( 2.270 3.202 7.970) 8.884 5.005 ( 1.065 -6.297 1.451) 6.549 5.070 ( 2.640 5.913 2.977) 7.127 5.446 ( 1.697 -6.654 -1.461) 7.020 5.506 ( 14.036 12.723 -6.757) 20.113 5.721 ( 3.490 7.365 8.268) 11.610 5.853 ( -1.012 -4.864 7.231) 8.773 6.075 ( 12.483 15.498 6.421) 20.911 6.339 ( -1.169 11.878 -4.626) 12.801 6.386 ( -8.487 3.344 3.159) 9.653 6.730 ( 11.442 18.627 12.268) 25.068 7.038 ( 7.200 25.615 10.523) 28.613 7.222 ( 0.043 10.161 -0.815) 10.193 7.420 ( -12.359 0.627 1.310) 12.444 7.539 ( -9.238 10.566 -3.007) 14.354 7.780 ( -0.594 6.839 -6.522) 9.468 7.997 ( -13.160 22.006 7.519) 26.721 8.054 ( 17.755 18.814 -0.104) 25.869 8.125 ( -16.645 4.391 -2.371) 17.377 8.371 ( -11.068 7.047 -13.198) 18.610 8.441 ( -12.745 11.575 -9.349) 19.592 8.559 ( 3.435 -11.054 -11.135) 16.061 8.860 ( 6.390 -30.643 -5.234) 31.737 9.072 ( 17.745 -28.978 -1.819) 34.028 9.398 ( -6.780 -24.198 -4.377) 25.508 9.692 ( -9.881 -31.234 -1.315) 32.786 11.375 ( 0.994 -4.737 1.426) 5.046 11.463 ( -5.313 -10.519 -1.458) 11.875 11.789 ( -1.336 -4.481 4.355) 6.390 11.856 ( -4.455 -4.141 6.043) 8.574 12.065 ( 1.273 -0.918 -3.272) 3.628 12.237 ( 5.299 -5.367 -4.878) 8.982 13.021 ( -1.326 -4.873 -3.721) 6.273 13.087 ( 8.193 0.810 -3.772) 9.055 13.433 ( 9.620 -1.704 5.111) 11.026 13.584 ( -3.358 1.706 3.875) 5.403 13.818 ( 1.657 -0.336 2.786) 3.259 13.948 ( -1.481 0.309 -1.155) 1.903 14.027 ( -1.680 -0.950 2.979) 3.550 14.106 ( -1.472 0.217 1.212) 1.919 14.183 ( -0.131 1.427 -3.112) 3.427 14.218 ( 0.390 1.593 -2.751) 3.203 16.691 ( 1.586 0.755 4.665) 4.985 16.814 ( 2.418 -1.366 5.614) 6.263 16.899 ( -3.425 -2.121 -3.904) 5.610 17.118 ( 1.911 1.741 -2.867) 3.861 17.184 ( -0.396 1.161 -0.318) 1.267 17.314 ( 0.057 -3.475 -0.836) 3.575 17.367 ( -1.073 2.628 -2.247) 3.620 17.419 ( 2.171 -0.151 0.128) 2.180 17.473 ( -0.054 0.160 -3.204) 3.208 17.505 ( 1.084 -6.275 -2.560) 6.863 17.704 ( -1.005 -3.205 0.517) 3.399 17.736 ( 0.677 -1.616 0.760) 1.910 17.988 ( -3.432 -2.302 1.160) 4.292 18.049 ( 1.172 -3.324 -0.381) 3.545 18.084 ( -1.230 -6.932 0.835) 7.090 18.163 ( 1.344 -7.834 -1.402) 8.071 19.248 ( 4.415 -0.955 3.149) 5.507 19.428 ( 2.425 1.899 5.772) 6.542 19.587 ( 0.007 -0.645 4.118) 4.169 19.850 ( -4.312 -2.106 -5.932) 7.630 19.951 ( -4.629 0.269 8.806) 9.953 20.145 ( 0.776 2.280 -7.980) 8.336 20.242 ( 0.574 0.273 -8.696) 8.719 20.410 ( 0.485 1.755 -2.422) 3.030 ======================= Grid point 125 (65/100) ======================= q-point: (-0.29 0.43 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.699 ( 0.672 31.533 5.102) 31.950 3.955 ( -24.248 3.567 -6.634) 25.391 4.063 ( -10.184 21.035 10.885) 25.782 4.361 ( -14.157 1.120 -2.683) 14.453 4.540 ( -14.431 3.380 3.835) 15.310 4.624 ( 1.734 14.582 -4.570) 15.379 4.765 ( -6.859 2.628 4.256) 8.489 5.079 ( 6.997 8.345 -5.798) 12.338 5.252 ( 5.634 1.936 3.450) 6.884 5.424 ( 11.741 8.187 0.134) 14.314 5.506 ( -5.053 13.223 -0.764) 14.177 5.629 ( 1.744 8.490 -5.604) 10.321 5.699 ( -10.031 12.604 6.341) 17.312 6.015 ( -0.897 14.932 8.473) 17.192 6.119 ( -2.299 -5.325 3.354) 6.700 6.290 ( 0.803 8.919 6.441) 11.031 6.660 ( 10.506 19.975 17.633) 28.641 6.778 ( -16.589 18.212 1.400) 24.674 6.916 ( -17.439 15.348 -2.465) 23.361 6.974 ( -8.123 23.697 5.798) 25.713 7.168 ( 1.932 14.256 1.496) 14.464 7.413 ( -5.685 16.717 20.518) 27.069 7.588 ( -14.639 3.468 -14.800) 21.104 7.935 ( -13.516 5.832 2.519) 14.935 7.990 ( -0.481 11.700 -17.439) 21.006 8.052 ( -3.128 3.227 4.285) 6.209 8.279 ( 24.181 14.563 -16.728) 32.812 8.952 ( 16.535 -14.604 -6.321) 22.948 9.421 ( 5.072 -33.398 -8.339) 34.795 9.583 ( -0.019 -26.034 -10.151) 27.943 9.882 ( 9.553 -29.884 9.891) 32.896 10.083 ( 3.069 -29.539 -3.470) 29.900 11.509 ( 1.890 -8.279 2.566) 8.871 11.598 ( 0.068 -13.362 -1.976) 13.508 11.826 ( -2.452 -2.762 2.302) 4.352 11.944 ( -3.550 -9.533 6.601) 12.126 12.180 ( 8.282 -4.943 0.387) 9.653 12.425 ( 6.645 -10.926 -3.632) 13.294 13.104 ( 0.762 -7.931 -3.641) 8.760 13.173 ( 7.387 1.241 0.234) 7.494 13.536 ( -2.003 -0.618 -2.295) 3.109 13.606 ( 8.316 -0.035 3.854) 9.166 13.842 ( 0.702 1.478 2.568) 3.045 13.919 ( -1.270 -0.462 -2.710) 3.028 14.011 ( -2.804 0.411 1.728) 3.320 14.082 ( -1.648 0.520 0.833) 1.919 14.136 ( -0.875 2.444 -1.755) 3.134 14.177 ( -0.220 2.231 -1.114) 2.503 16.733 ( 2.524 0.127 3.167) 4.052 16.868 ( -2.039 -1.441 -3.429) 4.242 16.895 ( 0.809 -2.129 5.492) 5.946 17.103 ( 0.957 1.405 -1.204) 2.083 17.167 ( 0.546 0.718 -0.017) 0.902 17.287 ( -2.146 1.669 -3.676) 4.572 17.354 ( 0.725 1.882 -0.975) 2.240 17.453 ( -0.558 0.160 -2.597) 2.662 17.509 ( 4.020 -7.096 0.013) 8.156 17.606 ( 2.490 -4.828 -3.264) 6.337 17.755 ( -1.316 -5.058 0.246) 5.232 17.812 ( 3.749 -5.057 0.948) 6.366 18.044 ( 1.548 -6.265 0.614) 6.482 18.167 ( 3.782 -6.653 0.472) 7.668 18.231 ( 1.846 -10.030 1.275) 10.277 18.329 ( 4.264 -9.002 -0.402) 9.969 19.325 ( 1.361 0.574 6.797) 6.956 19.506 ( 1.907 -1.688 0.385) 2.575 19.537 ( 1.329 3.253 0.058) 3.514 19.829 ( -3.965 0.349 -2.621) 4.766 19.913 ( -1.434 -2.289 3.729) 4.604 20.119 ( 1.549 0.396 -1.914) 2.494 20.195 ( -0.650 0.663 -6.862) 6.925 20.353 ( -1.223 3.427 -2.788) 4.584 ======================= Grid point 126 (66/100) ======================= q-point: (-0.14 0.43 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.380 ( 4.993 21.977 10.477) 24.853 3.488 ( -25.912 5.325 0.022) 26.454 3.646 ( -12.075 16.509 14.427) 25.030 4.106 ( -5.517 4.385 -16.808) 18.226 4.270 ( -32.248 -15.593 -8.144) 36.734 4.447 ( -3.339 8.079 -7.411) 11.461 4.522 ( -5.954 14.226 -9.250) 17.984 4.848 ( -4.642 20.882 -6.030) 22.225 4.940 ( -8.283 9.878 -2.978) 13.230 5.308 ( 0.395 16.295 5.037) 17.060 5.438 ( -1.125 3.805 -9.060) 9.891 5.507 ( 3.347 10.854 5.070) 12.438 5.570 ( 9.364 4.537 -1.519) 10.515 5.976 ( -0.172 0.267 7.558) 7.565 6.106 ( -9.752 12.730 7.791) 17.829 6.201 ( -12.798 -2.437 4.095) 13.656 6.257 ( -3.407 12.367 1.309) 12.894 6.333 ( -2.430 10.946 5.815) 12.631 6.712 ( -1.446 15.507 5.438) 16.496 6.976 ( 24.270 15.297 13.450) 31.685 7.127 ( 2.032 1.483 10.453) 10.752 7.200 ( -12.809 3.164 -4.375) 13.901 7.403 ( 8.340 19.372 1.641) 21.155 7.634 ( -0.643 4.598 10.111) 11.126 7.848 ( -8.067 -4.792 0.176) 9.385 8.075 ( 13.906 12.517 5.339) 19.457 8.313 ( 25.186 19.757 -17.903) 36.677 9.275 ( 11.015 -4.843 -3.615) 12.564 9.771 ( -12.531 -27.875 -10.096) 32.187 9.886 ( -0.050 -22.569 -7.494) 23.781 10.313 ( -1.914 -21.717 -1.798) 21.876 10.563 ( 6.278 -22.149 3.963) 23.360 11.673 ( 2.015 -8.302 3.210) 9.126 11.783 ( 2.609 -10.050 -3.000) 10.808 11.852 ( -5.227 -7.744 3.124) 9.852 12.061 ( -4.449 -10.069 7.033) 13.063 12.355 ( 6.244 -1.749 0.979) 6.558 12.624 ( 1.047 -8.709 -4.368) 9.799 13.150 ( -1.182 0.993 1.640) 2.252 13.302 ( 3.476 -8.165 -2.992) 9.365 13.535 ( 1.479 -3.235 -7.244) 8.070 13.670 ( 2.518 4.318 -0.011) 4.998 13.807 ( -1.656 3.052 -0.330) 3.488 13.922 ( 1.994 -0.675 -0.204) 2.115 13.966 ( -1.679 0.905 0.760) 2.053 14.032 ( -3.093 2.673 -0.828) 4.171 14.090 ( 0.884 1.944 1.039) 2.375 14.163 ( 0.411 0.550 1.642) 1.780 16.782 ( 1.558 -0.206 2.296) 2.782 16.836 ( -1.048 0.362 -3.345) 3.524 16.927 ( -2.224 -1.036 1.362) 2.806 17.104 ( 0.411 -0.422 -0.461) 0.748 17.199 ( 2.626 -1.802 1.528) 3.532 17.238 ( 0.176 0.650 -1.784) 1.906 17.298 ( -0.727 3.974 -1.587) 4.341 17.420 ( 0.219 2.031 -2.176) 2.985 17.663 ( 0.643 -7.161 -1.829) 7.419 17.711 ( 3.886 -5.430 -0.644) 6.708 17.808 ( -1.159 -4.552 0.172) 4.700 17.952 ( 2.414 -5.787 0.548) 6.294 18.174 ( 2.573 -5.462 0.602) 6.068 18.302 ( 1.786 -4.879 0.555) 5.225 18.376 ( -0.934 -7.201 0.654) 7.290 18.499 ( 2.800 -6.483 0.383) 7.072 19.300 ( -3.696 2.296 2.338) 4.940 19.448 ( -3.111 1.768 -0.647) 3.637 19.665 ( 7.528 -1.520 2.839) 8.187 19.739 ( 0.342 1.701 -2.710) 3.217 19.995 ( 1.479 -4.640 1.437) 5.078 20.120 ( -0.085 0.976 -1.506) 1.796 20.156 ( -0.692 0.859 -1.458) 1.828 20.274 ( -0.714 2.318 -2.407) 3.417 ======================= Grid point 131 (67/100) ======================= q-point: (-0.43 -0.43 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.024 ( -30.656 -0.000 6.520) 31.342 4.040 ( -30.429 -0.000 2.641) 30.543 4.457 ( -10.968 -0.000 2.218) 11.190 4.493 ( -12.992 -0.000 5.107) 13.960 4.587 ( 4.928 0.000 -0.481) 4.951 4.829 ( 4.674 0.000 -1.857) 5.030 4.986 ( 5.067 0.000 1.363) 5.247 5.076 ( 15.761 0.000 -0.465) 15.768 5.257 ( 0.716 0.000 3.562) 3.633 5.386 ( 4.089 0.000 -1.943) 4.528 5.592 ( -1.878 -0.000 -5.052) 5.390 5.848 ( -0.744 -0.000 12.918) 12.939 5.897 ( -3.071 -0.000 -6.146) 6.871 6.162 ( -30.595 -0.000 -1.818) 30.649 6.276 ( 0.502 0.000 -4.353) 4.382 6.320 ( -2.348 -0.000 7.278) 7.648 6.943 ( -34.181 -0.000 -5.244) 34.581 7.060 ( -2.831 -0.000 9.315) 9.735 7.232 ( -12.523 -0.000 -1.240) 12.584 7.345 ( 1.828 0.000 14.053) 14.171 7.646 ( -27.427 -0.000 -17.082) 32.311 7.653 ( 14.227 0.000 4.411) 14.896 7.787 ( -32.715 -0.000 0.911) 32.728 7.960 ( -6.369 -0.000 17.855) 18.957 8.176 ( -21.752 -0.000 1.546) 21.807 8.253 ( -8.027 -0.000 -2.182) 8.318 8.537 ( 4.645 0.000 7.641) 8.942 8.684 ( 7.593 0.000 -9.400) 12.083 8.890 ( 19.771 0.000 -2.405) 19.917 8.890 ( 34.512 0.000 -3.661) 34.705 9.420 ( 24.914 0.000 -6.638) 25.783 9.476 ( 22.608 0.000 -11.352) 25.298 11.346 ( 1.158 0.000 -0.925) 1.482 11.418 ( 7.556 0.000 0.401) 7.566 11.790 ( 3.113 0.000 4.219) 5.243 11.834 ( 0.943 0.000 3.207) 3.343 12.085 ( 5.261 0.000 -2.366) 5.768 12.230 ( 4.650 0.000 -6.850) 8.279 12.947 ( 0.236 0.000 -4.505) 4.511 13.216 ( 10.658 0.000 -4.191) 11.452 13.535 ( -6.269 -0.000 0.329) 6.278 13.606 ( 10.865 0.000 6.066) 12.443 13.855 ( 1.682 0.000 3.606) 3.979 13.916 ( -2.198 -0.000 -1.954) 2.941 14.014 ( -1.862 -0.000 3.521) 3.984 14.092 ( -1.436 -0.000 1.053) 1.781 14.169 ( -1.338 -0.000 -1.762) 2.212 14.216 ( -0.565 -0.000 -2.820) 2.876 16.761 ( 3.380 0.000 5.488) 6.445 16.815 ( -2.814 -0.000 -3.885) 4.797 16.864 ( 1.632 0.000 5.967) 6.186 17.138 ( 0.744 0.000 -4.190) 4.255 17.179 ( -1.157 -0.000 -0.217) 1.177 17.314 ( 3.637 0.000 1.030) 3.780 17.321 ( -4.092 -0.000 -5.897) 7.178 17.406 ( 1.502 0.000 -3.932) 4.209 17.464 ( -0.803 -0.000 -1.187) 1.433 17.544 ( 7.270 0.000 -0.023) 7.270 17.682 ( 0.556 0.000 1.562) 1.658 17.768 ( 3.754 0.000 0.117) 3.756 17.971 ( 3.043 0.000 0.165) 3.048 17.990 ( 0.609 0.000 0.933) 1.114 18.114 ( 6.613 0.000 0.533) 6.635 18.170 ( 8.621 0.000 -1.379) 8.730 19.330 ( 4.827 0.000 4.281) 6.451 19.478 ( 1.582 0.000 1.034) 1.890 19.662 ( 3.582 0.000 7.855) 8.633 19.710 ( -6.324 -0.000 -5.501) 8.382 19.929 ( -5.532 -0.000 9.417) 10.922 20.141 ( 1.452 0.000 -6.198) 6.366 20.195 ( -0.454 -0.000 -10.151) 10.161 20.410 ( -0.774 -0.000 -2.904) 3.006 ======================= Grid point 132 (68/100) ======================= q-point: (-0.29 -0.43 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.487 ( -37.559 2.973 3.112) 37.805 3.680 ( -40.175 -11.421 7.319) 42.404 4.043 ( -10.312 18.827 -0.047) 21.466 4.380 ( -0.149 20.671 -4.356) 21.126 4.524 ( -13.344 -10.665 2.235) 17.228 4.680 ( -14.627 27.212 4.576) 31.231 4.864 ( -4.749 7.803 -7.621) 11.896 5.103 ( -2.401 -1.974 -13.415) 13.771 5.248 ( -3.851 -1.812 -6.186) 7.509 5.413 ( -26.143 -4.831 -2.996) 26.754 5.492 ( -3.555 6.505 -7.196) 10.331 5.665 ( -33.874 -5.490 1.959) 34.372 5.695 ( -3.762 4.672 7.681) 9.746 5.907 ( 6.386 1.065 -0.220) 6.478 6.116 ( -3.610 8.983 3.741) 10.379 6.355 ( -18.522 0.003 -3.531) 18.856 6.484 ( -14.176 2.050 3.178) 14.672 6.792 ( -19.089 3.080 1.769) 19.417 7.010 ( -12.971 8.139 -16.851) 22.769 7.195 ( -17.819 0.291 10.311) 20.589 7.247 ( -19.177 5.771 -5.669) 20.813 7.385 ( 1.438 13.129 17.495) 21.921 7.769 ( -6.158 6.621 17.812) 19.975 7.792 ( 1.036 10.111 13.230) 16.684 7.985 ( 0.170 9.225 -4.113) 10.102 8.290 ( 8.974 -0.811 13.655) 16.361 8.784 ( -0.269 -14.658 -4.945) 15.472 8.845 ( 14.406 -7.625 4.540) 16.920 9.273 ( 23.973 1.626 -9.448) 25.819 9.349 ( 27.583 -7.549 0.968) 28.614 9.821 ( 20.801 -10.846 -1.546) 23.509 9.980 ( 27.509 -15.804 -11.777) 33.841 11.446 ( 6.840 -5.090 -1.060) 8.592 11.566 ( 7.896 -3.687 -0.354) 8.722 11.846 ( 0.985 1.442 2.939) 3.419 11.886 ( 5.736 -0.133 1.503) 5.931 12.216 ( 7.492 -5.760 -2.020) 9.664 12.343 ( 6.648 -7.823 -5.023) 11.430 12.998 ( 3.417 -6.286 -4.499) 8.452 13.305 ( 4.032 4.353 -0.828) 5.991 13.454 ( -2.348 -2.913 -5.433) 6.597 13.759 ( 7.382 1.654 2.902) 8.102 13.865 ( -1.769 0.986 -0.743) 2.157 13.899 ( 0.935 -0.752 2.387) 2.672 13.994 ( -2.069 0.791 2.208) 3.128 14.081 ( -0.270 0.781 0.998) 1.296 14.135 ( -1.731 0.769 -0.444) 1.946 14.182 ( -1.245 0.696 -1.106) 1.805 16.769 ( -0.214 -0.037 -1.643) 1.657 16.848 ( 3.330 -0.267 2.984) 4.480 16.904 ( -0.077 -0.250 3.363) 3.373 17.098 ( -1.995 0.158 -3.566) 4.089 17.163 ( -1.271 -0.641 0.844) 1.655 17.239 ( -2.919 -0.409 -5.902) 6.597 17.372 ( 0.526 0.499 0.707) 1.013 17.430 ( -1.954 -0.521 -0.887) 2.209 17.479 ( 6.024 -3.563 -2.064) 7.296 17.654 ( 8.527 0.159 -2.269) 8.825 17.718 ( 1.986 -1.620 1.500) 2.970 17.846 ( 6.540 -0.985 0.088) 6.614 18.044 ( 5.786 -2.415 0.297) 6.277 18.116 ( 6.069 -6.141 0.792) 8.670 18.258 ( 9.566 -1.607 1.014) 9.753 18.333 ( 9.349 -3.723 -0.551) 10.078 19.390 ( 0.336 2.659 3.711) 4.578 19.468 ( -0.478 -0.022 -6.913) 6.929 19.635 ( 2.184 0.271 5.438) 5.866 19.765 ( -1.901 -1.626 4.758) 5.375 19.897 ( -0.820 -0.693 4.731) 4.851 20.144 ( 1.471 0.505 -2.993) 3.373 20.146 ( -0.064 -0.717 -6.604) 6.643 20.359 ( -1.922 2.206 -3.248) 4.372 ======================= Grid point 133 (69/100) ======================= q-point: (-0.14 -0.43 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.948 ( -38.093 -3.781 6.588) 38.843 3.317 ( -39.803 -18.532 -1.973) 43.950 3.694 ( -3.973 13.108 -2.876) 13.995 3.984 ( -6.368 24.231 -2.843) 25.215 4.168 ( -8.147 16.723 0.383) 18.606 4.396 ( -11.143 5.406 -9.858) 15.829 4.485 ( -14.056 6.412 -7.446) 17.151 4.884 ( -8.724 8.051 -10.790) 16.042 4.983 ( -9.501 7.141 -4.734) 12.793 5.184 ( -36.945 -21.303 13.066) 44.603 5.326 ( -9.755 -7.382 -6.245) 13.736 5.505 ( -10.940 11.086 8.593) 17.788 5.557 ( -9.509 -10.913 5.327) 15.424 5.889 ( -4.453 7.994 -9.750) 13.371 5.965 ( -5.156 -1.419 -7.613) 9.304 6.036 ( -9.452 8.033 3.603) 12.917 6.248 ( -1.234 9.542 2.082) 9.844 6.650 ( -16.675 -7.086 10.315) 20.848 6.744 ( -10.545 -2.833 -9.787) 14.663 7.051 ( -0.857 -6.040 -2.363) 6.542 7.192 ( -5.689 16.142 6.471) 18.298 7.248 ( -4.668 -11.040 6.203) 13.496 7.561 ( -12.340 4.209 19.882) 23.775 7.779 ( 3.822 5.728 -2.097) 7.198 8.007 ( 20.119 14.062 10.427) 26.669 8.495 ( 13.276 5.581 14.315) 20.306 8.913 ( 3.760 -4.050 -8.473) 10.116 9.102 ( 7.514 -3.211 0.187) 8.173 9.491 ( 17.604 3.956 -9.323) 20.309 9.782 ( 18.368 -3.188 1.059) 18.673 10.215 ( 14.858 -7.767 1.745) 16.856 10.474 ( 16.577 -12.020 -4.080) 20.879 11.632 ( 8.059 -5.004 -0.400) 9.495 11.709 ( 2.345 -5.086 0.333) 5.611 11.883 ( 7.996 2.434 1.814) 8.553 11.973 ( 3.090 -1.991 2.655) 4.535 12.362 ( 1.314 -5.200 -3.367) 6.333 12.520 ( 4.925 -5.308 -3.744) 8.152 13.136 ( 2.022 -2.914 -3.427) 4.932 13.208 ( -3.857 -0.982 -2.175) 4.536 13.514 ( 3.941 -2.756 -3.562) 5.984 13.768 ( 1.620 4.679 -1.663) 5.223 13.815 ( -2.018 2.009 -1.065) 3.040 13.951 ( 2.631 -0.639 1.421) 3.058 13.964 ( -0.646 0.880 0.717) 1.306 14.026 ( -2.854 3.156 -1.393) 4.477 14.129 ( 1.173 0.241 2.040) 2.365 14.173 ( -0.135 -0.341 1.896) 1.932 16.781 ( 0.576 -1.926 -1.155) 2.319 16.847 ( -0.686 3.580 -1.931) 4.125 16.907 ( -0.342 0.678 1.449) 1.636 17.082 ( -0.600 -1.662 -0.684) 1.894 17.186 ( -0.787 -3.110 2.738) 4.217 17.208 ( -0.487 -2.644 -3.893) 4.731 17.312 ( -3.061 2.648 -1.807) 4.433 17.417 ( -1.345 -0.570 0.301) 1.491 17.618 ( 5.638 -3.208 -1.232) 6.603 17.746 ( 6.039 0.454 -1.883) 6.342 17.803 ( 5.362 -0.991 1.634) 5.693 17.967 ( 6.628 -1.246 -0.275) 6.750 18.170 ( 4.447 -3.030 0.518) 5.406 18.278 ( 4.952 -3.440 0.721) 6.073 18.383 ( 5.947 1.285 0.166) 6.087 18.502 ( 6.664 -2.752 0.230) 7.214 19.301 ( -2.370 3.782 -1.229) 4.630 19.445 ( -1.532 2.591 -0.957) 3.159 19.714 ( 0.051 -2.165 2.122) 3.032 19.760 ( 2.215 -1.258 3.875) 4.637 19.985 ( 4.110 -3.106 1.998) 5.526 20.113 ( -0.243 -0.061 -3.827) 3.835 20.163 ( 0.590 1.060 0.051) 1.214 20.280 ( -1.289 2.006 -2.636) 3.554 ======================= Grid point 139 (70/100) ======================= q-point: (-0.29 -0.29 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.986 ( -43.186 -0.000 6.577) 43.684 3.003 ( -44.998 -0.000 16.632) 47.974 4.102 ( -12.203 -0.000 -2.628) 12.483 4.125 ( -13.490 -0.000 3.600) 13.962 4.577 ( -2.257 -0.000 -5.553) 5.994 4.633 ( -47.209 -0.000 8.541) 47.975 4.678 ( -20.802 -0.000 1.309) 20.843 4.779 ( -22.494 -0.000 -11.409) 25.222 4.905 ( -7.585 -0.000 -5.061) 9.118 5.060 ( -29.753 -0.000 -6.672) 30.492 5.173 ( -3.399 -0.000 -20.278) 20.561 5.368 ( -14.961 -0.000 -1.300) 15.018 5.751 ( -16.055 -0.000 -2.781) 16.294 5.862 ( -5.633 -0.000 2.895) 6.334 5.953 ( -15.683 -0.000 -8.340) 17.762 6.231 ( -2.547 -0.000 -0.442) 2.585 6.414 ( 0.446 0.000 0.805) 0.920 6.572 ( -25.714 -0.000 12.316) 28.512 6.660 ( -20.493 -0.000 -17.387) 26.875 6.786 ( -18.158 -0.000 -0.391) 18.162 7.046 ( -14.318 -0.000 -10.377) 17.683 7.473 ( -19.149 -0.000 20.122) 27.778 7.777 ( -1.920 -0.000 22.349) 22.431 7.896 ( -6.594 -0.000 -2.376) 7.008 8.185 ( -2.459 -0.000 7.507) 7.899 8.255 ( 11.667 0.000 6.037) 13.136 8.902 ( 15.975 0.000 9.185) 18.428 9.070 ( 18.631 0.000 18.608) 26.332 9.683 ( 27.679 0.000 4.750) 28.084 9.787 ( 28.285 0.000 -3.067) 28.450 10.085 ( 26.507 0.000 -11.289) 28.811 10.252 ( 33.033 0.000 -10.403) 34.633 11.553 ( 12.479 0.000 -2.174) 12.667 11.649 ( 7.313 0.000 -2.678) 7.788 11.892 ( 2.729 0.000 2.770) 3.888 12.038 ( 10.311 0.000 0.334) 10.317 12.256 ( 8.440 0.000 -4.656) 9.639 12.402 ( 10.499 0.000 -1.944) 10.677 13.000 ( 6.078 0.000 -3.649) 7.089 13.286 ( -7.391 -0.000 -6.524) 9.858 13.452 ( 6.239 0.000 -1.029) 6.323 13.831 ( -2.008 -0.000 -2.064) 2.880 13.836 ( -0.701 -0.000 2.284) 2.389 13.941 ( 2.977 0.000 2.620) 3.966 13.993 ( -0.543 -0.000 1.408) 1.509 14.100 ( -3.347 -0.000 -0.540) 3.391 14.120 ( 3.968 0.000 1.076) 4.111 14.156 ( -2.026 -0.000 -0.119) 2.030 16.751 ( 0.380 0.000 -2.566) 2.594 16.911 ( -0.659 -0.000 0.586) 0.882 16.938 ( 4.760 0.000 5.002) 6.905 17.031 ( -3.164 -0.000 -4.769) 5.723 17.136 ( -2.507 -0.000 2.965) 3.883 17.157 ( -2.866 -0.000 -6.325) 6.944 17.363 ( -4.030 -0.000 -3.092) 5.080 17.389 ( -1.815 -0.000 3.001) 3.507 17.566 ( 9.765 0.000 -0.654) 9.787 17.758 ( 5.842 0.000 -0.422) 5.857 17.808 ( 10.910 0.000 -0.141) 10.911 17.944 ( 7.669 0.000 -0.427) 7.681 18.128 ( 7.241 0.000 2.188) 7.564 18.205 ( 11.222 0.000 -1.232) 11.289 18.428 ( 12.656 0.000 1.949) 12.805 18.439 ( 8.367 0.000 -1.416) 8.486 19.394 ( -1.173 -0.000 -9.504) 9.576 19.455 ( 0.272 0.000 3.597) 3.607 19.665 ( 0.630 0.000 5.276) 5.313 19.757 ( -4.372 -0.000 7.660) 8.820 19.936 ( 4.680 0.000 3.281) 5.715 20.101 ( 0.335 0.000 -6.329) 6.337 20.172 ( 2.019 0.000 -0.489) 2.077 20.326 ( -2.482 -0.000 -3.714) 4.467 ======================= Grid point 140 (71/100) ======================= q-point: (-0.14 -0.29 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.416 ( -41.144 0.649 21.134) 46.259 2.514 ( -42.090 -11.675 12.745) 45.501 3.769 ( -5.255 11.701 -3.485) 13.292 4.056 ( -22.071 5.619 2.700) 22.935 4.132 ( -38.056 -21.250 21.844) 48.754 4.183 ( -20.843 0.687 -1.764) 20.929 4.345 ( -12.509 12.674 2.526) 17.986 4.457 ( -3.496 8.618 -8.885) 12.862 4.708 ( -16.535 -4.157 -6.652) 18.301 4.871 ( -4.661 9.550 -17.857) 20.780 5.100 ( -14.611 -23.118 6.013) 28.001 5.148 ( -10.159 -3.323 -10.161) 14.747 5.490 ( -12.939 -0.602 -2.770) 13.246 5.583 ( -18.728 -2.502 -8.461) 20.703 5.947 ( -13.772 -2.524 3.819) 14.513 6.028 ( -16.258 -5.158 -0.932) 17.082 6.131 ( -5.227 8.596 -2.878) 10.464 6.380 ( -16.125 -6.268 -8.102) 19.104 6.559 ( -3.485 -6.798 3.735) 8.503 6.735 ( -9.665 -7.174 4.213) 12.753 6.911 ( -5.584 -9.874 -13.855) 17.907 7.236 ( -17.987 2.796 8.831) 20.233 7.617 ( -10.096 12.392 13.823) 21.132 7.888 ( 2.120 -0.180 -0.258) 2.143 8.245 ( 1.921 -2.621 -4.895) 5.875 8.440 ( 0.815 -7.876 7.249) 10.735 9.105 ( 11.776 7.002 7.485) 15.611 9.342 ( 9.708 2.652 12.597) 16.124 9.982 ( 25.094 13.540 -4.813) 28.917 10.117 ( 22.299 3.747 -1.062) 22.636 10.447 ( 23.240 -2.531 5.238) 23.958 10.675 ( 26.167 -0.717 -5.798) 26.811 11.728 ( 8.093 -0.746 -0.964) 8.184 11.732 ( 8.312 -1.335 -3.580) 9.148 11.978 ( 6.033 -1.146 3.382) 7.011 12.167 ( 12.851 4.823 1.253) 13.784 12.347 ( 5.948 1.696 -2.983) 6.867 12.563 ( 8.736 -1.620 -1.718) 9.050 13.113 ( 3.426 -2.334 -6.385) 7.613 13.158 ( -1.180 0.530 -0.599) 1.426 13.515 ( 0.838 -1.177 0.185) 1.457 13.798 ( -1.746 0.397 -0.904) 2.006 13.810 ( -0.730 0.905 0.784) 1.402 13.976 ( -0.685 1.504 -0.085) 1.655 13.980 ( 1.096 -0.203 0.869) 1.413 14.022 ( -3.370 2.643 -1.333) 4.486 14.132 ( -1.885 -0.704 1.119) 2.302 14.199 ( 4.604 -0.102 -0.318) 4.616 16.765 ( 1.719 -1.219 -1.801) 2.772 16.866 ( -1.633 3.154 -2.399) 4.286 16.943 ( -0.276 2.749 0.082) 2.764 17.051 ( 0.945 -2.299 1.161) 2.744 17.120 ( -2.015 -2.910 -2.594) 4.388 17.141 ( -0.948 -3.498 2.127) 4.202 17.275 ( -4.363 1.365 -2.386) 5.157 17.372 ( -3.410 -1.416 1.735) 4.080 17.716 ( 10.092 0.492 0.110) 10.105 17.845 ( 6.980 0.728 -0.449) 7.032 17.934 ( 8.642 3.103 0.340) 9.189 18.059 ( 6.979 -0.845 -0.651) 7.060 18.245 ( 7.291 0.822 2.064) 7.622 18.361 ( 9.489 0.119 -0.973) 9.540 18.504 ( 4.482 2.368 -1.225) 5.215 18.607 ( 9.659 0.590 1.400) 9.777 19.335 ( 1.327 3.508 -3.035) 4.824 19.452 ( -1.429 0.997 -0.504) 1.813 19.684 ( -2.018 -0.260 3.332) 3.904 19.757 ( -1.177 -3.135 4.271) 5.427 20.032 ( 5.163 -1.232 0.979) 5.397 20.096 ( 1.145 -0.501 -2.653) 2.932 20.189 ( 0.674 1.022 -0.330) 1.268 20.264 ( -1.876 0.778 -3.227) 3.813 ======================= Grid point 147 (72/100) ======================= q-point: (-0.14 -0.14 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.983 ( -30.210 -0.000 31.720) 43.804 2.020 ( -35.341 -0.000 38.723) 52.425 3.311 ( -52.410 -0.000 50.981) 73.116 3.832 ( -1.359 -0.000 -3.021) 3.313 3.916 ( -3.019 -0.000 4.138) 5.123 4.038 ( -12.950 -0.000 -2.862) 13.262 4.160 ( -11.993 -0.000 -2.808) 12.317 4.408 ( -14.200 -0.000 2.157) 14.363 4.604 ( -2.332 -0.000 2.575) 3.474 4.777 ( -5.344 -0.000 -21.647) 22.297 4.808 ( -3.547 -0.000 -7.110) 7.946 4.909 ( -7.199 -0.000 -16.149) 17.681 5.064 ( -11.382 -0.000 -6.481) 13.098 5.445 ( -18.705 -0.000 -3.408) 19.013 5.462 ( -18.118 -0.000 2.014) 18.230 5.994 ( -16.639 -0.000 4.993) 17.372 6.002 ( -19.869 -0.000 8.551) 21.631 6.136 ( -2.629 -0.000 -8.500) 8.898 6.138 ( -11.121 -0.000 -3.497) 11.658 6.703 ( 0.927 0.000 -21.704) 21.724 6.939 ( 13.069 0.000 0.579) 13.082 6.993 ( -21.673 -0.000 11.903) 24.726 7.532 ( -12.574 -0.000 -7.857) 14.827 7.949 ( -2.316 -0.000 0.283) 2.333 8.149 ( -3.872 -0.000 3.378) 5.138 8.416 ( -1.451 -0.000 -4.143) 4.390 9.285 ( 1.104 0.000 4.370) 4.507 9.426 ( -3.062 -0.000 0.699) 3.141 10.398 ( 16.054 0.000 5.754) 17.054 10.450 ( 20.468 0.000 -7.190) 21.695 10.811 ( 24.040 0.000 10.391) 26.189 11.035 ( 23.393 0.000 -2.866) 23.568 11.806 ( 6.736 0.000 -2.807) 7.297 11.846 ( 8.740 0.000 0.023) 8.740 12.113 ( 10.662 0.000 3.159) 11.121 12.399 ( 11.825 0.000 7.013) 13.749 12.478 ( 8.574 0.000 -3.862) 9.404 12.685 ( 8.694 0.000 -0.965) 8.747 13.106 ( 3.062 0.000 -6.879) 7.530 13.205 ( 5.513 0.000 3.094) 6.322 13.491 ( -4.041 -0.000 2.169) 4.586 13.780 ( -0.315 -0.000 -0.855) 0.911 13.802 ( -1.345 -0.000 1.970) 2.385 13.974 ( -1.592 -0.000 -0.622) 1.709 13.980 ( -3.971 -0.000 -0.251) 3.979 13.989 ( 0.224 0.000 0.193) 0.295 14.085 ( -3.725 -0.000 0.876) 3.827 14.264 ( 4.847 0.000 -4.785) 6.811 16.785 ( 3.229 0.000 -1.105) 3.412 16.861 ( -1.460 -0.000 -1.815) 2.329 16.952 ( 0.413 0.000 -1.888) 1.932 17.053 ( -1.576 -0.000 2.873) 3.277 17.058 ( -0.896 -0.000 -2.598) 2.748 17.122 ( 1.182 0.000 3.362) 3.564 17.215 ( -3.640 -0.000 -1.759) 4.043 17.307 ( -4.932 -0.000 1.592) 5.183 17.886 ( 11.097 0.000 0.880) 11.132 17.950 ( 6.799 0.000 -0.421) 6.812 18.089 ( 6.900 0.000 0.539) 6.921 18.123 ( 4.104 0.000 -0.828) 4.187 18.376 ( 6.861 0.000 2.713) 7.378 18.505 ( 9.463 0.000 -1.989) 9.670 18.550 ( 1.500 0.000 -0.736) 1.671 18.759 ( 7.890 0.000 0.936) 7.945 19.399 ( 4.668 0.000 -2.911) 5.502 19.423 ( -2.413 -0.000 1.561) 2.874 19.695 ( 0.303 0.000 -1.678) 1.706 19.696 ( -4.332 -0.000 5.751) 7.200 20.090 ( 3.475 0.000 -0.598) 3.526 20.106 ( 1.699 0.000 -1.008) 1.976 20.202 ( -0.031 -0.000 -0.588) 0.589 20.219 ( -2.135 -0.000 -3.705) 4.276 ======================= Grid point 148 (73/100) ======================= q-point: ( 0.00 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.990 ( 6.878 0.000 41.198) 41.768 3.004 ( -0.604 -0.000 41.559) 41.563 3.743 ( 1.013 0.000 -24.854) 24.875 3.783 ( 1.363 0.000 -28.129) 28.162 3.837 ( 1.768 0.000 -1.882) 2.582 3.858 ( 1.480 0.000 -4.542) 4.777 3.977 ( 2.141 0.000 -9.698) 9.931 3.999 ( -0.110 -0.000 -12.885) 12.885 4.437 ( 2.347 0.000 50.430) 50.485 4.508 ( 1.554 0.000 4.464) 4.726 4.514 ( 1.422 0.000 20.042) 20.092 4.912 ( -2.717 -0.000 -2.608) 3.766 4.927 ( -7.300 -0.000 -3.951) 8.300 5.369 ( 15.885 0.000 -12.423) 20.166 5.692 ( 8.970 0.000 12.133) 15.088 5.719 ( -2.992 -0.000 -1.967) 3.580 5.772 ( -2.269 -0.000 -13.736) 13.923 5.791 ( -2.061 -0.000 0.645) 2.160 6.115 ( 7.212 0.000 11.441) 13.525 6.173 ( -2.514 -0.000 -7.468) 7.880 6.628 ( -4.704 -0.000 -7.537) 8.884 6.880 ( -12.490 -0.000 -28.797) 31.389 7.254 ( -23.632 -0.000 18.308) 29.894 7.274 ( 20.488 0.000 17.128) 26.704 7.695 ( -24.212 -0.000 -20.026) 31.420 7.749 ( 17.268 0.000 -25.186) 30.537 9.403 ( -7.690 -0.000 13.289) 15.354 9.422 ( -9.051 -0.000 12.477) 15.414 10.583 ( 4.750 0.000 -6.506) 8.056 10.610 ( 3.679 0.000 -6.833) 7.760 11.370 ( 2.898 0.000 1.087) 3.095 11.424 ( 2.127 0.000 -2.512) 3.291 12.032 ( 3.308 0.000 2.920) 4.412 12.095 ( 1.065 0.000 -2.854) 3.047 12.571 ( 5.932 0.000 7.584) 9.628 12.664 ( 2.975 0.000 3.020) 4.239 12.704 ( -3.473 -0.000 0.085) 3.474 12.708 ( -1.862 -0.000 -5.689) 5.986 13.333 ( -11.582 -0.000 0.971) 11.622 13.338 ( 12.761 0.000 0.679) 12.780 13.625 ( 1.742 0.000 15.030) 15.130 13.780 ( -1.201 -0.000 -0.215) 1.221 13.800 ( 3.224 0.000 -0.265) 3.235 13.841 ( -4.456 -0.000 -3.821) 5.870 13.903 ( -1.519 -0.000 1.091) 1.871 13.980 ( 1.907 0.000 -3.202) 3.727 13.992 ( -0.987 -0.000 0.630) 1.170 14.036 ( -1.734 -0.000 -8.637) 8.810 16.829 ( -1.018 -0.000 1.076) 1.481 16.850 ( 0.910 0.000 -0.900) 1.280 17.042 ( -2.587 -0.000 0.951) 2.756 17.057 ( 5.170 0.000 -0.546) 5.198 17.089 ( 5.775 0.000 1.993) 6.110 17.126 ( -6.174 -0.000 -1.493) 6.352 17.172 ( 0.554 0.000 0.586) 0.807 17.183 ( -0.508 -0.000 -0.527) 0.732 18.066 ( -1.919 -0.000 0.164) 1.926 18.071 ( 1.595 0.000 -0.331) 1.629 18.186 ( -1.941 -0.000 0.779) 2.092 18.197 ( 2.549 0.000 -0.272) 2.563 18.510 ( -1.307 -0.000 3.115) 3.378 18.573 ( 1.004 0.000 -3.320) 3.468 18.704 ( 3.619 0.000 2.710) 4.521 18.756 ( -3.746 -0.000 -2.804) 4.679 19.446 ( -2.122 -0.000 1.715) 2.728 19.482 ( 2.905 0.000 -1.871) 3.456 19.622 ( -5.548 -0.000 1.504) 5.748 19.649 ( 3.399 0.000 -1.387) 3.671 20.105 ( 0.512 0.000 -0.809) 0.957 20.109 ( 0.080 0.000 -1.321) 1.324 20.140 ( -1.851 -0.000 -0.181) 1.859 20.141 ( 1.588 0.000 -0.196) 1.601 ======================= Grid point 149 (74/100) ======================= q-point: ( 0.14 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.234 ( -0.725 -6.989 27.993) 28.862 3.294 ( 11.237 1.311 29.306) 31.414 3.605 ( 3.775 2.664 -23.435) 23.886 3.730 ( 1.690 -7.807 -29.477) 30.540 3.883 ( 2.805 -2.115 -3.250) 4.786 4.037 ( 7.254 -5.750 -4.589) 10.332 4.087 ( 12.160 -13.501 -1.509) 18.232 4.151 ( 10.515 -11.545 -14.896) 21.580 4.470 ( -1.702 3.012 -3.985) 5.277 4.684 ( 9.532 -9.951 1.087) 13.823 4.888 ( 7.592 -7.289 26.911) 28.896 4.933 ( 4.254 -6.457 16.670) 18.376 5.124 ( 13.897 -9.985 -0.931) 17.137 5.420 ( 7.875 -4.199 -23.226) 24.882 5.727 ( -0.813 -5.377 0.669) 5.479 5.783 ( 4.104 -5.710 3.456) 7.835 5.864 ( 7.310 -8.546 -15.048) 18.787 5.972 ( 9.186 -12.097 -1.518) 15.265 6.195 ( 5.056 -8.933 -2.803) 10.640 6.240 ( 3.579 -5.607 1.975) 6.939 6.662 ( -9.268 -3.784 -14.382) 17.523 6.677 ( 4.513 -0.482 19.470) 19.992 7.083 ( -17.927 -7.196 5.314) 20.035 7.353 ( -7.540 -2.831 3.752) 8.885 7.700 ( 23.828 1.495 23.225) 33.307 7.912 ( 19.817 2.154 -20.703) 28.739 9.139 ( -17.025 16.381 23.038) 32.999 9.392 ( -8.539 0.003 7.926) 11.651 10.499 ( -2.473 9.300 -6.925) 11.856 10.537 ( -1.303 7.315 -8.640) 11.395 11.266 ( -8.853 10.745 -4.884) 14.754 11.339 ( -3.599 6.223 -2.139) 7.500 12.015 ( -2.940 4.287 -1.354) 5.372 12.097 ( 2.071 -1.336 -4.866) 5.455 12.467 ( -11.323 7.971 -3.901) 14.386 12.573 ( -1.892 7.700 5.947) 9.912 12.586 ( -9.508 3.776 -1.023) 10.281 12.745 ( 0.497 -0.780 -1.462) 1.730 13.169 ( -11.471 -1.974 -1.033) 11.686 13.482 ( 6.061 -0.290 -0.835) 6.125 13.608 ( -3.610 6.518 6.088) 9.622 13.709 ( -3.791 3.551 -3.635) 6.340 13.762 ( -2.738 -0.070 0.713) 2.830 13.877 ( 4.474 -0.488 0.317) 4.511 13.920 ( 0.019 -2.084 2.452) 3.218 13.960 ( 0.620 0.480 -1.918) 2.072 14.018 ( 0.851 -1.089 -0.686) 1.543 14.060 ( 3.209 -3.813 0.408) 5.000 16.804 ( -2.502 0.499 1.106) 2.781 16.852 ( 0.796 0.295 -0.841) 1.195 16.989 ( -6.260 -0.514 -1.740) 6.518 17.074 ( 0.999 -0.448 -1.177) 1.608 17.126 ( 2.815 -1.111 -1.302) 3.294 17.166 ( 3.178 0.421 0.219) 3.213 17.198 ( 1.470 -1.283 0.227) 1.964 17.224 ( 4.610 -2.326 0.887) 5.239 17.968 ( -5.051 5.085 -0.022) 7.168 18.022 ( -3.032 4.005 0.187) 5.027 18.112 ( -4.966 4.100 0.059) 6.440 18.191 ( -1.675 1.804 -0.345) 2.485 18.462 ( -4.059 3.486 2.576) 5.938 18.524 ( -1.882 3.413 -2.409) 4.582 18.663 ( -5.996 0.867 -2.144) 6.427 18.730 ( -0.588 1.862 2.281) 3.002 19.391 ( -5.123 1.030 1.461) 5.426 19.483 ( -1.513 1.002 -2.299) 2.929 19.568 ( -1.160 -0.217 2.517) 2.780 19.704 ( 6.102 1.430 0.283) 6.274 20.098 ( -0.435 0.350 -0.383) 0.677 20.101 ( 0.229 0.665 -0.918) 1.157 20.127 ( -0.554 -0.136 -0.066) 0.575 20.181 ( 2.593 -1.186 -0.309) 2.868 ======================= Grid point 150 (75/100) ======================= q-point: ( 0.29 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.317 ( 3.433 1.730 -15.325) 15.800 3.480 ( 3.765 -1.355 -5.060) 6.451 3.668 ( 0.992 -7.909 14.637) 16.667 3.749 ( 2.940 -3.352 -6.061) 7.524 3.876 ( -2.590 5.175 -6.132) 8.431 4.113 ( -1.437 -0.079 -4.086) 4.333 4.279 ( 1.897 0.183 -12.801) 12.942 4.349 ( 8.233 -10.188 -1.238) 13.157 4.697 ( 8.452 -7.863 -4.704) 12.465 4.828 ( -5.038 -1.592 -13.038) 14.068 5.004 ( 9.606 -15.105 -3.879) 18.316 5.148 ( 8.944 -7.137 9.573) 14.919 5.479 ( 17.941 -8.439 0.229) 19.828 5.739 ( 4.219 -12.422 -2.571) 13.369 5.912 ( 5.988 -11.300 10.037) 16.257 6.014 ( 9.824 -15.298 -19.265) 26.489 6.148 ( 1.270 -7.590 -0.143) 7.697 6.282 ( 13.452 -17.128 24.621) 32.871 6.397 ( 2.432 -11.220 -8.288) 14.160 6.522 ( -0.175 -7.598 2.008) 7.860 6.700 ( -1.475 -15.128 -1.613) 15.285 6.866 ( 22.220 -16.403 4.331) 27.956 7.079 ( 13.268 -13.343 0.929) 18.840 7.647 ( 10.659 -4.754 26.358) 28.826 7.993 ( 11.549 7.419 -11.077) 17.639 8.072 ( 16.320 2.335 18.888) 25.071 8.722 ( -17.899 20.469 23.272) 35.790 9.290 ( -4.360 1.845 3.519) 5.899 10.181 ( -10.880 16.723 -8.385) 21.641 10.317 ( -3.479 12.380 -6.416) 14.371 10.803 ( -18.762 18.824 -8.297) 27.842 11.104 ( -9.578 10.687 -1.780) 14.461 11.874 ( -4.997 4.290 -1.777) 6.821 12.019 ( -4.459 8.917 -7.423) 12.430 12.282 ( -3.040 -3.558 -1.609) 4.949 12.323 ( -12.784 8.194 -1.063) 15.222 12.422 ( -4.810 8.837 6.180) 11.808 12.694 ( -4.896 1.751 -4.894) 7.141 13.077 ( -6.877 -4.214 -2.026) 8.316 13.430 ( -5.222 1.903 -9.083) 10.649 13.554 ( 4.059 3.740 0.281) 5.526 13.573 ( -6.868 3.911 4.275) 8.985 13.737 ( -1.075 0.020 0.338) 1.127 13.933 ( 3.279 0.277 -0.187) 3.296 13.963 ( 2.130 -0.122 -0.357) 2.163 13.966 ( -0.643 -1.144 1.306) 1.851 14.080 ( 2.880 -1.987 3.027) 4.627 14.151 ( 2.042 -2.536 1.327) 3.516 16.765 ( -2.270 0.149 0.011) 2.275 16.863 ( 1.190 -0.113 -0.138) 1.203 16.896 ( -5.248 0.165 -1.855) 5.568 17.106 ( 1.898 -0.326 -0.518) 1.995 17.145 ( -0.599 -2.207 -2.091) 3.099 17.211 ( 2.186 -1.010 -1.154) 2.671 17.253 ( 3.184 -1.019 -0.108) 3.344 17.331 ( 5.138 -1.308 1.027) 5.400 17.810 ( -5.108 5.681 -1.209) 7.735 17.899 ( -5.916 4.024 0.709) 7.189 17.962 ( -3.565 6.037 0.050) 7.011 18.107 ( -4.065 3.224 0.285) 5.196 18.336 ( -4.652 4.677 0.552) 6.620 18.422 ( -3.034 3.786 -0.634) 4.893 18.540 ( -6.668 2.839 -0.970) 7.312 18.661 ( -3.552 3.592 1.174) 5.186 19.307 ( -5.348 0.315 1.047) 5.459 19.401 ( -4.208 1.785 -0.766) 4.634 19.634 ( 3.761 -3.132 1.767) 5.203 19.782 ( 7.059 1.625 1.022) 7.316 20.083 ( -0.326 0.945 0.179) 1.015 20.091 ( 0.072 0.457 -0.362) 0.588 20.119 ( -0.539 0.076 -0.508) 0.744 20.231 ( 2.351 -0.716 -0.352) 2.483 ======================= Grid point 151 (76/100) ======================= q-point: ( 0.43 0.00 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.219 ( -1.139 7.266 -8.047) 10.902 3.439 ( -1.817 -0.925 -17.895) 18.011 3.633 ( -6.475 13.661 -6.979) 16.651 3.712 ( -7.007 2.142 -1.828) 7.552 3.890 ( 2.553 -5.525 12.850) 14.218 4.044 ( -5.750 1.901 8.202) 10.195 4.141 ( 2.554 -2.842 -5.932) 7.056 4.668 ( 10.286 -8.890 -0.828) 13.620 4.734 ( 6.058 -3.079 -19.184) 20.352 4.887 ( -4.735 -3.657 -1.992) 6.305 5.284 ( 4.388 -10.914 -4.356) 12.544 5.397 ( 3.508 -3.319 1.921) 5.198 5.662 ( 1.596 1.893 3.651) 4.411 5.913 ( 7.194 -3.279 0.742) 7.941 6.095 ( -5.251 -1.958 4.508) 7.192 6.146 ( 0.001 -5.959 1.118) 6.063 6.275 ( -0.349 -2.024 4.440) 4.892 6.495 ( 0.643 -13.045 1.697) 13.171 6.600 ( -9.835 -10.249 -2.142) 14.365 6.774 ( 14.440 -10.065 6.214) 18.666 7.101 ( 11.869 -13.123 2.131) 17.822 7.392 ( 17.374 -7.339 1.519) 18.922 7.687 ( 1.808 12.875 4.677) 13.817 7.887 ( 30.399 -29.785 1.290) 42.578 8.004 ( 3.454 1.056 -0.745) 3.688 8.268 ( -7.233 13.357 16.892) 22.717 8.404 ( 7.579 -4.999 15.867) 18.281 9.361 ( 7.718 -7.892 2.619) 11.346 9.590 ( -23.244 25.393 -15.050) 37.571 9.945 ( -12.348 17.563 -5.858) 22.254 10.437 ( 0.677 3.193 0.988) 3.410 10.803 ( -8.710 8.778 -3.009) 12.726 11.795 ( 0.406 2.814 0.694) 2.926 11.825 ( -1.383 2.343 -2.118) 3.448 12.023 ( -10.029 7.760 -1.555) 12.775 12.270 ( -2.986 6.582 6.444) 9.684 12.358 ( 1.207 -5.551 -2.893) 6.375 12.520 ( -7.515 4.357 -6.000) 10.558 13.051 ( -3.941 -3.133 -0.657) 5.077 13.310 ( -2.563 2.567 -5.220) 6.356 13.491 ( -0.168 -0.464 0.227) 0.543 13.555 ( -0.339 0.079 -0.491) 0.602 13.731 ( -0.820 -0.729 0.125) 1.104 13.960 ( -0.279 -0.377 -0.016) 0.469 13.973 ( 2.253 0.710 -0.300) 2.381 13.988 ( 0.897 0.444 0.224) 1.026 14.150 ( 1.599 -1.058 1.957) 2.739 14.202 ( 0.614 -1.052 1.440) 1.886 16.743 ( -1.213 -0.740 -0.371) 1.469 16.823 ( -2.955 0.149 -1.779) 3.452 16.885 ( 1.455 0.279 0.604) 1.600 17.112 ( 0.161 0.581 -0.201) 0.635 17.180 ( -0.168 -3.442 -1.036) 3.598 17.230 ( 0.413 0.661 -1.432) 1.630 17.298 ( 2.227 0.585 -0.130) 2.306 17.405 ( 2.461 -0.508 0.435) 2.551 17.677 ( -2.640 2.987 -1.147) 4.148 17.774 ( -3.331 2.147 -0.057) 3.963 17.876 ( -0.291 2.665 0.547) 2.736 18.016 ( -2.463 1.718 0.221) 3.012 18.251 ( -1.087 1.070 0.143) 1.533 18.349 ( -1.394 1.434 0.061) 2.001 18.404 ( -4.408 2.678 -0.038) 5.158 18.580 ( -1.805 1.739 0.308) 2.526 19.254 ( -2.322 -0.328 0.559) 2.411 19.333 ( -3.077 -0.490 -0.334) 3.133 19.736 ( 2.667 -2.217 1.190) 3.667 19.851 ( 4.404 1.419 0.722) 4.683 20.066 ( 0.028 0.859 0.151) 0.873 20.088 ( 0.444 0.359 -0.345) 0.667 20.106 ( -0.936 -0.234 -0.509) 1.091 20.260 ( 1.504 0.298 -0.434) 1.594 ======================= Grid point 152 (77/100) ======================= q-point: (-0.43 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.967 ( -12.891 13.171 13.323) 22.741 3.158 ( -12.952 13.979 10.203) 21.616 3.531 ( 3.165 -4.378 1.912) 5.731 3.687 ( 4.074 -1.441 -1.707) 4.646 4.020 ( 1.144 -2.585 5.617) 6.288 4.094 ( -2.513 -7.105 -2.177) 7.844 4.182 ( 6.182 0.891 -1.206) 6.361 4.644 ( -2.885 8.586 -6.257) 11.009 4.780 ( -0.882 0.368 -17.480) 17.506 4.876 ( 1.862 -0.671 -3.046) 3.633 5.273 ( -6.001 8.703 -4.544) 11.507 5.419 ( -1.315 -1.449 1.003) 2.199 5.704 ( 0.197 -0.805 1.172) 1.435 5.814 ( -25.363 24.118 22.194) 41.443 5.969 ( -4.106 1.385 1.608) 4.622 6.096 ( 0.501 9.744 4.945) 10.939 6.316 ( 4.274 -3.245 11.828) 12.989 6.458 ( -9.636 3.344 -7.731) 12.798 6.701 ( -6.770 -10.957 -1.991) 13.032 6.829 ( -6.460 16.519 -2.812) 17.959 7.157 ( -7.028 19.431 -4.462) 21.139 7.374 ( -4.532 2.936 -0.328) 5.410 7.664 ( -4.085 -5.045 4.664) 7.993 7.889 ( -8.201 4.103 8.735) 12.664 8.068 ( -9.245 8.789 -9.202) 15.729 8.594 ( 21.619 -23.783 -17.048) 36.382 8.690 ( -9.807 9.658 -10.837) 17.519 9.284 ( 24.006 -24.381 13.859) 36.917 9.440 ( -7.666 4.983 -3.291) 9.717 9.883 ( 13.394 -16.260 -0.481) 21.072 10.500 ( 2.477 -0.219 -2.791) 3.738 10.726 ( 9.505 -3.407 3.697) 10.753 11.795 ( 4.402 -0.202 1.122) 4.548 11.815 ( -2.221 2.393 -0.492) 3.301 11.972 ( 9.421 -5.327 1.650) 10.948 12.213 ( -0.308 5.199 8.800) 10.225 12.358 ( -0.504 -0.471 1.692) 1.827 12.473 ( 1.769 -5.585 -3.470) 6.809 13.038 ( -1.503 -0.555 1.273) 2.047 13.245 ( 0.799 2.458 0.563) 2.645 13.543 ( -0.316 0.590 0.399) 0.779 13.574 ( 3.579 -8.019 -6.936) 11.190 13.734 ( -0.953 -1.382 -0.099) 1.682 13.957 ( -0.307 0.030 0.182) 0.358 13.971 ( -0.460 1.200 -0.240) 1.307 13.994 ( 0.859 0.530 -0.263) 1.043 14.166 ( -0.733 0.394 0.213) 0.859 14.216 ( -0.100 0.174 0.206) 0.287 16.741 ( -1.157 -1.483 -0.283) 1.902 16.802 ( 1.697 0.854 0.079) 1.901 16.899 ( 0.314 -0.298 -0.426) 0.607 17.106 ( -0.098 0.143 0.342) 0.383 17.183 ( -2.251 2.294 -0.595) 3.269 17.205 ( -0.518 -0.097 0.109) 0.539 17.294 ( 0.370 2.417 0.251) 2.458 17.412 ( -1.557 0.480 -0.251) 1.648 17.666 ( 2.007 -2.542 0.095) 3.240 17.780 ( 4.008 -2.369 -0.632) 4.698 17.879 ( 1.081 -1.989 0.240) 2.276 18.022 ( 2.765 -2.172 -0.378) 3.537 18.246 ( 0.878 -0.427 0.629) 1.162 18.348 ( 0.953 -1.708 0.224) 1.969 18.402 ( 3.215 -3.117 0.258) 4.486 18.582 ( 1.925 -1.899 0.123) 2.707 19.258 ( 1.864 -0.351 0.366) 1.932 19.330 ( -1.072 -3.349 -0.221) 3.523 19.753 ( -1.723 1.321 -0.175) 2.178 19.859 ( -0.739 1.495 -0.235) 1.684 20.073 ( 1.301 -0.503 -0.525) 1.490 20.088 ( 0.571 0.258 -0.563) 0.843 20.102 ( -0.439 -0.923 0.024) 1.022 20.262 ( 0.565 1.200 -0.623) 1.466 ======================= Grid point 153 (78/100) ======================= q-point: (-0.29 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.736 ( -15.250 3.693 33.777) 37.244 2.927 ( -3.056 16.453 31.862) 35.989 3.679 ( 0.805 -4.913 9.700) 10.903 3.790 ( 5.058 -1.790 1.935) 5.704 4.052 ( -1.529 0.570 -14.229) 14.323 4.056 ( -0.535 1.324 1.656) 2.186 4.363 ( 0.430 -6.264 2.672) 6.824 4.440 ( 7.162 5.659 -6.067) 10.960 4.590 ( -6.451 8.134 -17.217) 20.105 4.730 ( -8.611 14.973 0.814) 17.292 5.003 ( -7.714 13.344 -2.556) 15.624 5.063 ( -30.689 29.489 39.402) 57.999 5.303 ( -6.830 6.126 -5.556) 10.726 5.648 ( -6.683 14.761 -1.459) 16.269 5.851 ( -8.543 2.907 1.607) 9.166 5.993 ( 0.514 4.905 -0.083) 4.932 6.113 ( -7.641 13.949 10.201) 18.895 6.227 ( -14.255 20.583 0.978) 25.056 6.627 ( 5.751 -4.122 -6.146) 9.372 6.655 ( -1.729 15.092 -4.934) 15.972 6.759 ( -14.454 10.562 -8.405) 19.777 6.919 ( -15.313 10.403 -7.098) 19.826 7.424 ( -16.463 8.207 -26.240) 32.045 7.681 ( -18.830 -2.816 17.181) 25.645 8.019 ( -0.605 -8.908 -12.232) 15.144 8.409 ( -10.461 5.491 -14.409) 18.634 9.101 ( 10.336 -17.288 -7.104) 21.358 9.328 ( -1.373 -6.990 -8.104) 10.790 10.047 ( 18.862 -19.475 6.840) 27.961 10.263 ( 6.703 -10.591 0.883) 12.565 10.711 ( 18.950 -14.917 -0.608) 24.124 11.032 ( 13.434 -7.033 5.869) 16.259 11.832 ( 4.719 -0.521 2.632) 5.428 11.902 ( 3.933 -3.066 3.559) 6.127 12.196 ( 6.406 0.425 6.453) 9.102 12.270 ( 13.105 -6.115 2.428) 14.664 12.503 ( 5.397 -7.606 3.306) 9.895 12.578 ( 3.725 -4.117 1.982) 5.895 13.054 ( 4.092 1.090 1.089) 4.373 13.282 ( 4.675 -0.892 4.602) 6.620 13.525 ( -3.071 -0.481 1.564) 3.480 13.708 ( 3.065 -6.319 -6.651) 9.673 13.747 ( 0.292 -2.176 -0.670) 2.295 13.937 ( -1.680 0.764 -0.630) 1.950 13.950 ( -0.901 0.333 0.447) 1.060 13.990 ( 0.390 0.691 -0.859) 1.169 14.125 ( -2.624 1.630 -1.075) 3.271 14.191 ( -1.225 1.354 -2.572) 3.154 16.759 ( 0.365 -2.041 0.192) 2.082 16.833 ( 3.675 1.641 1.536) 4.308 16.906 ( 0.550 -1.242 -1.295) 1.876 17.106 ( -1.917 1.848 -0.670) 2.746 17.110 ( 0.082 1.433 1.859) 2.349 17.181 ( -2.018 1.001 1.107) 2.510 17.251 ( -0.796 2.977 0.363) 3.103 17.350 ( -4.354 1.473 -0.773) 4.661 17.791 ( 5.329 -6.208 0.679) 8.210 17.913 ( 6.737 -3.621 -0.673) 7.678 17.962 ( 2.996 -5.713 0.104) 6.452 18.113 ( 3.681 -2.927 -0.396) 4.719 18.329 ( 4.428 -4.714 1.176) 6.574 18.423 ( 3.902 -3.676 -0.659) 5.401 18.519 ( 4.801 -2.875 1.233) 5.730 18.678 ( 4.146 -4.567 -0.522) 6.191 19.320 ( 4.749 -1.292 0.171) 4.925 19.385 ( 0.971 -3.772 0.219) 3.901 19.676 ( -3.435 2.132 -1.735) 4.399 19.794 ( -4.928 1.053 -0.489) 5.063 20.091 ( 1.315 0.480 -0.822) 1.623 20.100 ( 0.167 -1.483 -0.822) 1.704 20.114 ( 0.303 -0.721 -0.236) 0.817 20.235 ( -0.772 1.826 -0.815) 2.144 ======================= Grid point 154 (79/100) ======================= q-point: (-0.14 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.760 ( -7.327 -2.716 44.214) 44.899 2.891 ( 1.421 12.410 41.943) 43.764 3.756 ( 0.126 -3.303 -3.194) 4.597 3.850 ( 2.639 1.319 -1.892) 3.504 3.922 ( 0.634 5.762 -13.581) 14.766 3.967 ( -5.004 4.656 -5.552) 8.806 4.191 ( -13.239 9.774 -8.812) 18.667 4.254 ( -3.208 13.132 -15.483) 20.554 4.371 ( -4.449 6.056 10.881) 13.223 4.475 ( -14.445 11.837 33.797) 38.613 4.652 ( -8.056 14.311 3.837) 16.865 4.944 ( 11.283 -11.023 18.913) 24.628 5.094 ( -6.346 6.377 -6.160) 10.904 5.231 ( -13.850 10.391 -3.671) 17.699 5.664 ( 3.836 16.719 11.759) 20.797 5.846 ( -4.490 9.627 6.779) 12.602 5.896 ( -3.147 4.084 -5.760) 7.730 6.008 ( -8.778 10.310 -2.562) 13.781 6.139 ( -9.655 13.334 3.314) 16.793 6.381 ( -11.771 1.188 -30.171) 32.407 6.629 ( 8.699 4.825 -1.921) 10.131 6.994 ( 12.560 -3.039 -1.825) 13.051 7.156 ( -11.324 -5.718 -21.361) 24.844 7.500 ( -20.685 -2.915 13.062) 24.637 7.834 ( -4.246 8.868 -27.579) 29.279 8.096 ( -19.628 -1.383 -16.025) 25.376 9.311 ( -6.067 -11.491 12.629) 18.120 9.451 ( 2.826 -4.987 -4.750) 7.444 10.434 ( 9.493 -8.462 -1.945) 12.865 10.497 ( 8.264 -7.345 -4.083) 11.786 11.193 ( 13.983 -10.325 1.682) 17.463 11.294 ( 8.085 -4.700 3.625) 10.030 11.938 ( 4.802 -1.231 5.797) 7.627 12.028 ( 4.406 -3.481 2.300) 6.068 12.375 ( 10.498 -2.969 5.617) 12.271 12.533 ( 10.328 -2.732 2.385) 10.947 12.666 ( 1.155 -6.152 -0.001) 6.259 12.699 ( 3.263 -3.170 1.167) 4.696 13.152 ( 11.424 0.934 0.898) 11.497 13.435 ( 2.618 -2.964 6.871) 7.928 13.480 ( -2.895 -1.071 6.198) 6.924 13.754 ( -0.045 -2.784 -1.451) 3.140 13.794 ( 0.502 -1.091 -1.554) 1.964 13.900 ( -2.093 -0.139 -1.963) 2.872 13.928 ( -1.528 0.236 0.225) 1.563 13.983 ( 1.040 0.975 -1.632) 2.168 14.043 ( -3.600 1.874 -1.522) 4.335 14.121 ( -2.144 1.631 -6.849) 7.360 16.806 ( 1.192 -2.084 0.547) 2.463 16.848 ( 0.964 1.209 -0.020) 1.546 16.964 ( 5.440 -0.779 0.648) 5.534 17.057 ( 0.522 2.036 0.369) 2.134 17.089 ( -2.879 1.310 2.240) 3.876 17.158 ( -0.775 -0.729 0.521) 1.185 17.201 ( -1.206 1.996 0.137) 2.336 17.249 ( -5.142 2.003 -1.154) 5.638 17.966 ( 5.274 -6.044 0.162) 8.023 18.028 ( 2.865 -3.260 -0.359) 4.355 18.110 ( 5.269 -4.188 0.238) 6.735 18.183 ( 1.439 -1.101 0.401) 1.856 18.463 ( 2.353 -4.113 2.212) 5.229 18.527 ( 3.744 -3.058 -2.587) 5.483 18.621 ( 5.145 -0.632 2.338) 5.687 18.773 ( 0.988 -2.759 -2.072) 3.589 19.414 ( 4.478 -1.643 0.090) 4.771 19.443 ( 1.081 -1.248 0.735) 1.807 19.622 ( -0.187 -0.624 -2.499) 2.583 19.703 ( -6.123 0.056 0.207) 6.127 20.099 ( 0.594 -0.102 -0.661) 0.894 20.111 ( -0.145 -0.858 -1.557) 1.784 20.127 ( 0.878 0.022 -0.105) 0.885 20.185 ( -1.916 1.638 -0.771) 2.636 ======================= Grid point 156 (80/100) ======================= q-point: ( 0.14 0.14 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.329 ( 3.389 0.000 26.925) 27.138 3.364 ( 3.404 0.000 -30.483) 30.672 3.703 ( 18.570 0.000 -29.118) 34.536 3.787 ( 11.426 0.000 8.657) 14.335 4.077 ( 15.084 0.000 1.862) 15.199 4.083 ( 8.904 0.000 1.440) 9.020 4.216 ( 20.766 0.000 2.289) 20.892 4.220 ( 19.899 0.000 -14.381) 24.551 4.567 ( 6.800 0.000 -8.843) 11.155 4.633 ( 9.079 0.000 -0.036) 9.079 5.109 ( 11.021 0.000 5.387) 12.267 5.122 ( 7.867 0.000 6.310) 10.085 5.273 ( 15.139 0.000 4.278) 15.732 5.285 ( 7.546 0.000 -35.288) 36.086 5.800 ( 12.990 0.000 18.461) 22.573 5.847 ( 12.459 0.000 -24.988) 27.922 5.905 ( 10.583 0.000 1.816) 10.738 6.056 ( 6.100 0.000 10.423) 12.076 6.158 ( 14.234 0.000 0.193) 14.235 6.205 ( 10.929 0.000 -5.271) 12.134 6.473 ( -10.269 -0.000 -1.204) 10.340 6.708 ( -20.454 -0.000 -2.040) 20.555 7.049 ( 17.563 0.000 31.057) 35.679 7.429 ( 10.487 0.000 25.338) 27.423 8.131 ( 20.523 0.000 -15.221) 25.552 8.149 ( 18.909 0.000 17.013) 25.436 9.181 ( -18.999 -0.000 21.671) 28.821 9.194 ( -16.177 -0.000 18.730) 24.748 10.443 ( -9.676 -0.000 -8.660) 12.985 10.485 ( -5.992 -0.000 -11.862) 13.290 11.190 ( -15.098 -0.000 -8.190) 17.177 11.191 ( -15.912 -0.000 -4.974) 16.671 11.981 ( -4.443 -0.000 -7.740) 8.924 12.046 ( -1.822 -0.000 -4.233) 4.609 12.287 ( -17.424 -0.000 -7.772) 19.079 12.419 ( -12.437 -0.000 -1.896) 12.580 12.595 ( -8.439 -0.000 4.289) 9.466 12.670 ( -8.370 -0.000 -0.907) 8.419 12.994 ( -7.254 -0.000 -3.058) 7.872 13.483 ( -4.810 -0.000 2.616) 5.475 13.528 ( -10.838 -0.000 -11.205) 15.589 13.710 ( 0.240 0.000 9.393) 9.396 13.750 ( -0.981 -0.000 1.105) 1.477 13.943 ( 3.397 0.000 1.156) 3.588 13.949 ( 3.569 0.000 1.424) 3.842 13.988 ( 2.004 0.000 -2.219) 2.990 14.055 ( 2.508 0.000 1.739) 3.051 14.068 ( 3.916 0.000 2.047) 4.418 16.777 ( -2.934 -0.000 2.003) 3.553 16.855 ( 0.864 0.000 -1.557) 1.781 16.885 ( -6.071 -0.000 -1.802) 6.333 17.091 ( 3.043 0.000 -2.553) 3.973 17.155 ( 1.598 0.000 -1.589) 2.253 17.169 ( -0.046 -0.000 0.190) 0.196 17.229 ( 4.459 0.000 -1.466) 4.694 17.315 ( 6.816 0.000 1.226) 6.926 17.920 ( -7.222 -0.000 0.737) 7.259 17.921 ( -10.541 -0.000 -0.781) 10.570 18.099 ( -4.768 -0.000 0.497) 4.794 18.122 ( -7.336 -0.000 -0.958) 7.398 18.420 ( -7.137 -0.000 2.381) 7.524 18.479 ( -5.810 -0.000 -2.647) 6.385 18.563 ( -6.682 -0.000 -1.405) 6.828 18.715 ( -5.319 -0.000 2.227) 5.766 19.314 ( -6.988 -0.000 1.244) 7.098 19.481 ( -0.406 -0.000 -1.574) 1.625 19.542 ( -2.180 -0.000 4.919) 5.380 19.811 ( 7.024 0.000 0.067) 7.024 20.087 ( -1.094 -0.000 1.975) 2.258 20.106 ( 0.537 0.000 -1.743) 1.823 20.136 ( 0.945 0.000 -1.630) 1.884 20.212 ( 3.243 0.000 -0.709) 3.319 ======================= Grid point 157 (81/100) ======================= q-point: ( 0.29 0.14 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.329 ( 9.881 -1.883 -26.203) 28.068 3.515 ( 10.246 3.455 8.994) 14.064 3.803 ( 19.695 9.441 -19.245) 29.110 3.898 ( 5.786 3.588 0.250) 6.813 4.132 ( 12.534 11.448 3.042) 17.245 4.248 ( 9.144 8.546 -1.501) 12.605 4.352 ( 11.593 0.196 -8.361) 14.294 4.579 ( 22.232 12.445 8.165) 26.755 4.739 ( 1.116 2.977 -10.678) 11.141 4.797 ( 15.744 -5.081 -6.347) 17.719 4.961 ( 11.415 -0.176 -2.847) 11.766 5.296 ( 8.937 -6.840 2.382) 11.503 5.566 ( 12.518 -7.126 3.904) 14.924 5.606 ( 18.853 -20.461 -20.220) 34.393 5.930 ( 8.133 0.903 -6.003) 10.149 6.062 ( 8.718 2.007 7.436) 11.633 6.204 ( 5.251 -9.132 -12.734) 16.526 6.218 ( 18.054 0.937 -2.096) 18.199 6.358 ( -1.129 -9.252 5.403) 10.774 6.486 ( 3.537 -1.556 14.092) 14.612 6.530 ( 18.310 -15.178 20.141) 31.165 6.884 ( 30.233 -28.448 -0.253) 41.514 7.369 ( 17.078 3.259 19.734) 26.300 7.819 ( 10.191 -8.146 24.758) 27.985 8.219 ( 7.617 9.554 -8.391) 14.823 8.386 ( 8.343 5.102 8.161) 12.737 8.845 ( -16.372 15.224 21.312) 30.887 9.152 ( -14.001 -7.048 14.416) 21.296 10.126 ( -18.071 10.882 -10.216) 23.438 10.301 ( -8.698 2.310 -9.014) 12.738 10.669 ( -27.237 14.437 -11.385) 32.862 10.932 ( -21.975 -1.497 -7.524) 23.276 11.836 ( -4.661 2.898 -5.641) 7.871 11.938 ( -13.233 1.047 -9.443) 16.290 12.108 ( -4.795 -8.037 -3.562) 10.014 12.187 ( -12.841 4.965 -1.481) 13.847 12.435 ( -11.053 3.287 4.673) 12.442 12.538 ( -11.300 -3.081 -4.068) 12.398 12.942 ( -2.169 -2.761 -1.760) 3.928 13.317 ( -7.538 0.541 -8.530) 11.397 13.422 ( -9.592 -2.716 3.506) 10.568 13.706 ( -0.275 5.535 6.917) 8.864 13.743 ( 0.210 0.746 1.028) 1.287 13.978 ( 0.745 1.070 1.182) 1.760 13.994 ( 4.164 0.971 -0.721) 4.336 14.014 ( 3.142 0.218 -1.018) 3.310 14.107 ( 2.267 -1.326 2.732) 3.789 14.146 ( 1.919 -2.164 0.813) 3.004 16.746 ( -1.814 0.532 2.349) 3.015 16.799 ( -4.166 -0.201 -1.983) 4.618 16.883 ( 1.255 -1.718 0.053) 2.129 17.120 ( 1.202 0.776 -3.488) 3.770 17.139 ( 1.739 0.700 -0.252) 1.892 17.201 ( 0.571 -2.173 -0.332) 2.271 17.293 ( 4.718 -0.526 -2.869) 5.546 17.404 ( 4.716 0.207 0.580) 4.756 17.744 ( -10.473 1.166 -1.185) 10.604 17.813 ( -7.816 0.483 0.556) 7.851 17.959 ( -7.356 2.875 -0.436) 7.910 18.030 ( -7.938 -0.873 0.541) 8.004 18.291 ( -8.227 2.000 0.321) 8.473 18.367 ( -7.206 -0.518 -1.394) 7.358 18.463 ( -6.926 0.830 0.428) 6.988 18.609 ( -8.617 0.625 1.066) 8.705 19.228 ( -5.626 -0.548 1.398) 5.823 19.419 ( -1.318 4.879 2.070) 5.462 19.608 ( 0.499 -5.656 3.848) 6.859 19.895 ( 5.576 0.960 -1.167) 5.778 20.085 ( -0.869 0.430 3.356) 3.493 20.099 ( 0.544 0.651 -2.471) 2.612 20.130 ( 0.821 0.781 -2.759) 2.982 20.257 ( 3.075 -0.368 -1.794) 3.579 ======================= Grid point 158 (82/100) ======================= q-point: ( 0.43 0.14 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.426 ( 13.273 2.317 -10.542) 17.108 3.549 ( 17.920 19.165 -8.514) 27.584 3.742 ( 3.425 15.154 -8.261) 17.596 3.962 ( 8.868 13.162 10.593) 19.081 3.998 ( 10.840 15.031 -6.657) 19.692 4.220 ( 6.962 10.803 -1.642) 12.957 4.360 ( 12.859 7.453 8.836) 17.291 4.747 ( 13.898 -4.071 -7.754) 16.428 4.858 ( 17.749 6.714 1.464) 19.033 4.914 ( 6.369 9.039 -2.296) 11.293 5.216 ( 9.281 -9.805 -0.334) 13.505 5.468 ( 2.041 1.216 2.228) 3.257 5.809 ( 11.246 0.887 3.649) 11.857 5.895 ( -4.630 0.675 -4.027) 6.173 6.098 ( 14.228 -14.511 -4.651) 20.848 6.175 ( 7.417 2.981 8.245) 11.484 6.330 ( 2.470 -8.913 5.004) 10.516 6.354 ( 2.519 -0.985 -3.531) 4.448 6.469 ( 8.125 5.835 15.356) 18.327 6.829 ( 14.538 -11.605 1.254) 18.644 7.169 ( 15.946 -10.503 6.911) 20.306 7.557 ( 17.289 -2.096 -5.787) 18.352 7.833 ( 9.224 -8.290 0.239) 12.404 7.909 ( 8.376 -5.304 6.536) 11.875 8.115 ( 0.865 7.324 1.621) 7.551 8.422 ( -11.028 17.083 10.278) 22.784 8.491 ( 3.396 -3.271 12.424) 13.288 9.242 ( -2.141 -16.642 5.847) 17.769 9.485 ( -28.535 22.604 -16.386) 39.921 9.858 ( -26.689 13.660 -6.560) 30.691 10.345 ( -7.504 -9.674 -3.617) 12.767 10.618 ( -17.789 -4.831 -7.762) 20.000 11.715 ( -10.206 -2.894 -5.263) 11.842 11.808 ( 1.340 -3.893 -1.139) 4.272 11.959 ( -6.983 3.723 -2.329) 8.249 12.183 ( -2.550 -8.822 -5.332) 10.618 12.284 ( -7.459 -1.453 4.393) 8.777 12.393 ( -10.908 -0.960 -0.832) 10.981 12.969 ( -0.854 -3.388 1.826) 3.942 13.242 ( -1.903 -2.743 -4.014) 5.221 13.350 ( -7.961 -4.766 1.789) 9.449 13.645 ( -0.157 5.527 4.929) 7.407 13.743 ( 1.168 1.365 1.022) 2.066 13.971 ( 0.018 1.004 0.620) 1.181 14.024 ( 3.096 1.578 -1.480) 3.776 14.038 ( 2.916 1.858 -1.502) 3.770 14.157 ( 0.409 -0.952 1.162) 1.557 14.189 ( -0.085 -1.685 0.736) 1.841 16.729 ( -1.716 0.735 3.016) 3.548 16.768 ( -0.479 -1.945 -1.123) 2.296 16.930 ( 2.733 -0.061 0.450) 2.771 17.079 ( -2.463 -0.287 -2.493) 3.516 17.185 ( 3.419 0.069 0.353) 3.438 17.226 ( -0.239 -0.769 -0.214) 0.834 17.339 ( 3.379 0.384 -3.365) 4.784 17.435 ( 0.544 1.307 0.108) 1.420 17.610 ( -6.982 -1.650 -0.789) 7.217 17.714 ( -5.084 -1.155 -0.425) 5.231 17.851 ( -4.994 -0.505 -0.614) 5.057 17.947 ( -5.724 -2.310 0.520) 6.194 18.189 ( -5.233 -2.512 -0.361) 5.816 18.304 ( -4.192 -2.483 0.051) 4.872 18.348 ( -6.496 0.259 1.147) 6.602 18.507 ( -6.973 -2.831 0.141) 7.528 19.201 ( -1.704 -2.382 1.383) 3.238 19.356 ( -0.109 4.149 4.282) 5.963 19.705 ( -0.498 -4.472 2.205) 5.011 19.921 ( 1.892 1.808 -2.655) 3.728 20.058 ( -1.408 1.223 -1.652) 2.491 20.097 ( -0.055 0.153 2.247) 2.253 20.121 ( 1.658 0.854 -3.163) 3.672 20.286 ( 2.393 0.421 -2.578) 3.543 ======================= Grid point 159 (83/100) ======================= q-point: (-0.43 0.14 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.234 ( -2.556 26.705 5.313) 27.348 3.505 ( 15.347 22.121 15.223) 30.929 3.664 ( 12.064 6.576 1.623) 13.835 3.979 ( 19.181 10.636 -5.194) 22.539 4.054 ( 8.993 5.262 0.013) 10.420 4.239 ( 13.668 7.886 1.493) 15.850 4.443 ( 10.959 12.227 10.158) 19.308 4.767 ( 0.504 12.443 -1.368) 12.528 4.849 ( 14.936 10.951 -22.956) 29.495 5.030 ( 12.144 5.994 7.755) 15.606 5.328 ( -5.368 6.459 -3.317) 9.030 5.456 ( 2.525 -0.569 3.839) 4.630 5.708 ( -5.291 11.174 -1.468) 12.450 5.944 ( 5.415 7.998 8.023) 12.556 6.088 ( -9.762 15.303 18.315) 25.786 6.276 ( 2.758 1.670 4.488) 5.526 6.356 ( -3.260 3.425 2.519) 5.358 6.476 ( -3.136 -3.283 1.471) 4.773 6.492 ( 8.408 8.741 16.728) 20.662 6.970 ( -4.230 14.444 -1.123) 15.093 7.281 ( 0.012 4.691 -2.478) 5.305 7.457 ( -1.607 20.393 -13.137) 24.311 7.567 ( -11.170 6.582 -3.354) 13.392 7.916 ( -14.244 15.547 4.770) 21.618 7.995 ( -12.629 12.086 -11.048) 20.679 8.440 ( 16.129 -23.232 -17.617) 33.320 8.578 ( -14.854 8.261 -14.661) 22.446 9.227 ( -13.714 -5.471 -0.277) 14.768 9.323 ( 12.742 -21.978 10.777) 27.596 9.717 ( 5.024 -24.408 -0.203) 24.920 10.328 ( -9.012 -12.745 -6.644) 16.965 10.678 ( 2.214 -17.070 0.304) 17.216 11.684 ( -3.255 -8.387 -0.685) 9.023 11.871 ( 1.859 0.834 -3.542) 4.086 11.990 ( 5.649 -11.885 0.082) 13.159 12.215 ( -1.388 -7.383 0.463) 7.526 12.271 ( -8.106 -1.384 3.640) 8.993 12.377 ( 0.419 -9.623 5.005) 10.855 13.022 ( -0.085 -2.868 4.726) 5.529 13.253 ( -1.288 -2.139 4.883) 5.485 13.389 ( -0.056 -8.324 -5.812) 10.152 13.604 ( -0.121 1.958 2.215) 2.959 13.746 ( 1.828 1.837 1.016) 2.784 13.957 ( -0.658 0.520 -0.563) 1.011 14.016 ( 1.555 2.882 -1.616) 3.652 14.040 ( 2.868 2.628 -1.162) 4.060 14.152 ( -1.697 0.310 -0.622) 1.834 14.199 ( -1.497 -0.725 0.063) 1.664 16.719 ( -0.786 -0.502 2.635) 2.795 16.818 ( 2.608 -2.374 1.062) 3.683 16.939 ( 2.019 3.357 -2.097) 4.443 17.059 ( -2.580 -2.962 0.411) 3.949 17.198 ( -1.162 2.469 3.538) 4.468 17.227 ( 1.713 0.928 -1.586) 2.512 17.338 ( 1.335 2.735 -2.994) 4.269 17.394 ( -2.414 1.409 -1.177) 3.033 17.600 ( -1.778 -6.080 0.553) 6.359 17.735 ( -0.151 -7.256 -1.440) 7.399 17.823 ( -1.851 -3.599 -0.493) 4.077 17.966 ( -1.134 -6.326 -0.087) 6.428 18.194 ( -2.316 -5.194 -0.028) 5.687 18.289 ( -2.945 -4.324 0.963) 5.319 18.372 ( 1.261 -6.651 0.811) 6.818 18.508 ( -2.887 -7.096 0.088) 7.661 19.257 ( 2.275 -3.676 1.233) 4.496 19.345 ( 1.898 2.384 5.807) 6.558 19.709 ( -4.366 -0.449 -1.167) 4.541 19.866 ( -1.732 3.664 -5.119) 6.529 20.031 ( -1.745 -2.025 0.309) 2.691 20.106 ( 0.659 0.125 -0.286) 0.729 20.121 ( 1.541 0.854 -0.927) 1.991 20.285 ( 1.137 1.505 -2.863) 3.429 ======================= Grid point 160 (84/100) ======================= q-point: (-0.29 0.14 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.942 ( -1.261 18.000 26.434) 32.005 3.469 ( 11.387 23.505 23.963) 35.445 3.751 ( 6.588 5.819 4.550) 9.898 3.971 ( 3.861 1.296 -14.197) 14.770 4.155 ( 17.857 16.166 6.970) 25.076 4.278 ( 7.122 16.759 1.526) 18.274 4.441 ( 8.531 7.789 -0.801) 11.580 4.648 ( 1.333 17.654 -15.365) 23.442 4.715 ( 17.841 9.498 -2.406) 20.355 4.951 ( -3.728 21.999 4.348) 22.732 5.028 ( -13.225 10.066 -1.500) 16.687 5.300 ( -11.894 21.680 14.365) 28.598 5.423 ( 1.698 16.048 -1.289) 16.189 5.693 ( -8.458 18.430 18.844) 27.682 6.019 ( -15.351 4.749 -2.525) 16.266 6.100 ( 8.988 17.651 -0.976) 19.831 6.249 ( 0.204 6.733 10.641) 12.593 6.306 ( 0.818 15.635 3.640) 16.074 6.684 ( 6.094 -3.398 -3.142) 7.652 6.729 ( -14.182 26.464 -5.447) 30.514 6.780 ( -8.644 13.046 6.501) 16.947 7.000 ( -2.574 14.406 1.509) 14.712 7.215 ( -18.159 17.228 -25.908) 36.025 7.525 ( -11.161 3.130 12.596) 17.118 7.807 ( -2.963 -5.102 -19.448) 20.323 8.222 ( -14.161 5.948 -20.704) 25.779 8.898 ( -1.993 -17.723 1.191) 17.874 9.078 ( -1.607 -16.026 -13.063) 20.737 9.982 ( 11.027 -23.270 2.514) 25.873 10.100 ( 1.948 -19.398 -1.766) 19.576 10.640 ( 12.029 -25.948 4.426) 28.941 10.985 ( 2.718 -17.707 -0.836) 17.934 11.808 ( -0.811 -8.793 5.735) 10.529 11.934 ( 6.586 -2.643 -3.857) 8.077 12.210 ( -0.608 -9.124 4.128) 10.033 12.302 ( -0.730 -13.148 -2.768) 13.456 12.393 ( 7.659 -8.708 3.245) 12.042 12.545 ( -0.346 -8.768 5.657) 10.440 13.117 ( 3.754 -3.649 7.041) 8.774 13.332 ( 1.127 -4.813 6.400) 8.087 13.450 ( 0.345 -1.234 -2.650) 2.943 13.616 ( -0.529 -4.305 -3.527) 5.590 13.761 ( 2.681 0.827 0.988) 2.975 13.921 ( -1.879 1.031 -2.572) 3.348 13.985 ( 0.846 3.020 -0.270) 3.148 14.039 ( 3.059 2.659 -0.462) 4.079 14.098 ( -2.948 1.500 -1.911) 3.820 14.162 ( -3.136 0.842 -1.352) 3.517 16.748 ( 0.820 -1.570 2.743) 3.265 16.883 ( -0.368 -0.159 -3.489) 3.512 16.924 ( 4.649 0.010 3.121) 5.599 17.074 ( -1.015 -1.778 0.766) 2.186 17.152 ( -1.501 3.094 3.415) 4.847 17.208 ( 0.557 3.086 -1.122) 3.330 17.276 ( -1.696 3.160 -1.420) 3.857 17.325 ( -1.582 2.833 -2.890) 4.345 17.727 ( 1.940 -9.656 1.276) 9.931 17.833 ( -1.632 -8.480 -1.636) 8.789 17.936 ( 4.849 -8.042 0.151) 9.392 18.051 ( -1.469 -7.270 -0.360) 7.426 18.289 ( 1.636 -7.548 1.164) 7.811 18.355 ( -0.606 -7.739 -0.703) 7.794 18.525 ( 3.708 -7.068 1.730) 8.167 18.608 ( -0.234 -8.680 -0.163) 8.685 19.368 ( 4.553 -3.547 1.005) 5.858 19.391 ( 3.303 0.987 6.243) 7.132 19.617 ( -5.464 0.149 -2.946) 6.210 19.735 ( -4.956 3.177 -5.745) 8.226 20.056 ( -0.736 -2.703 0.726) 2.894 20.104 ( 0.595 0.163 -2.924) 2.988 20.135 ( 1.231 0.540 1.746) 2.204 20.247 ( -0.576 2.378 -2.712) 3.653 ======================= Grid point 161 (85/100) ======================= q-point: (-0.14 0.14 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.966 ( 5.151 4.030 37.672) 38.235 3.357 ( 0.303 20.275 27.056) 33.812 3.690 ( -0.450 2.603 -14.902) 15.134 3.950 ( 5.607 5.704 -13.578) 15.759 4.035 ( -5.463 12.016 -1.697) 13.308 4.148 ( 12.538 19.218 4.915) 23.466 4.233 ( -1.703 19.895 -18.143) 26.980 4.415 ( 1.319 21.002 -16.741) 26.890 4.582 ( 6.546 10.552 3.795) 12.984 4.619 ( -5.838 7.388 0.681) 9.441 4.919 ( -0.397 22.924 32.735) 39.966 5.028 ( 1.818 4.542 9.687) 10.852 5.175 ( -2.508 17.096 4.448) 17.843 5.425 ( 7.969 11.925 -1.538) 14.424 5.795 ( -2.767 1.626 -3.412) 4.685 5.982 ( -4.018 16.800 0.561) 17.283 6.042 ( 2.919 18.015 0.524) 18.257 6.173 ( 0.206 22.838 -7.395) 24.006 6.252 ( -1.144 10.700 -8.206) 13.533 6.308 ( 1.018 10.860 4.908) 11.961 6.703 ( -1.983 8.137 -6.076) 10.347 6.904 ( -5.697 -3.020 -16.044) 17.292 7.178 ( 6.728 -2.876 24.414) 25.487 7.378 ( -1.406 6.399 17.303) 18.502 7.668 ( -16.068 -2.426 -23.814) 28.830 7.834 ( 1.561 6.699 -25.313) 26.231 9.015 ( -16.038 -17.960 20.615) 31.698 9.336 ( 4.074 -12.656 -9.332) 16.244 10.334 ( 2.431 -15.754 -2.525) 16.140 10.390 ( 3.283 -15.615 -5.085) 16.747 11.143 ( 5.391 -18.418 2.558) 19.360 11.203 ( -1.968 -13.257 -3.156) 13.768 11.944 ( -0.584 -6.906 7.035) 9.876 12.051 ( 5.666 -2.517 -4.127) 7.448 12.377 ( 1.304 -11.300 4.202) 12.126 12.454 ( -5.001 -13.326 -3.594) 14.681 12.597 ( -1.884 -6.284 6.008) 8.895 12.676 ( 5.180 -5.032 -2.233) 7.559 13.275 ( 1.762 -2.884 7.599) 8.317 13.380 ( -1.489 -1.477 -2.572) 3.318 13.512 ( 4.657 -2.815 7.552) 9.308 13.652 ( -1.390 -6.440 -5.776) 8.762 13.795 ( 0.132 0.268 2.350) 2.369 13.867 ( -0.684 0.207 -4.420) 4.477 13.954 ( 0.196 3.031 1.898) 3.582 14.006 ( -2.308 2.307 -2.769) 4.280 14.053 ( 1.968 2.846 0.546) 3.503 14.081 ( -2.441 1.997 -3.110) 4.429 16.801 ( 0.838 -1.525 2.412) 2.975 16.849 ( -1.047 0.029 -2.364) 2.586 17.032 ( 4.438 -1.787 2.524) 5.409 17.073 ( -2.630 -0.305 -1.127) 2.877 17.111 ( 1.233 2.490 2.144) 3.510 17.153 ( -0.214 3.469 -1.641) 3.844 17.211 ( -0.891 2.241 1.081) 2.643 17.252 ( 0.154 3.499 -2.691) 4.417 17.904 ( 1.555 -9.201 1.038) 9.389 17.926 ( -1.537 -8.320 -1.119) 8.535 18.111 ( -0.340 -6.217 0.354) 6.236 18.117 ( 0.345 -6.247 -0.271) 6.263 18.413 ( -0.764 -6.377 2.692) 6.964 18.464 ( 0.661 -7.212 -2.549) 7.678 18.661 ( 2.429 -3.997 2.302) 5.213 18.697 ( -2.326 -5.205 -1.443) 5.881 19.421 ( -2.319 -0.272 3.949) 4.588 19.477 ( 5.222 -0.173 -1.590) 5.462 19.576 ( -3.180 -2.188 1.227) 4.051 19.626 ( -0.714 -0.952 -4.197) 4.363 20.083 ( -0.104 -1.723 -0.139) 1.732 20.097 ( 0.142 -0.264 -1.628) 1.656 20.150 ( 0.484 0.743 1.511) 1.752 20.187 ( -0.524 2.313 -2.197) 3.233 ======================= Grid point 164 (86/100) ======================= q-point: ( 0.29 0.29 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.445 ( 22.202 0.000 -17.238) 28.108 3.776 ( 11.619 0.000 18.276) 21.657 4.063 ( 11.434 0.000 -0.357) 11.439 4.198 ( 32.399 0.000 -30.722) 44.649 4.261 ( 7.539 0.000 3.766) 8.427 4.457 ( 7.383 0.000 5.739) 9.351 4.663 ( 15.222 0.000 -5.408) 16.154 4.843 ( 9.741 0.000 -0.431) 9.750 4.905 ( 13.131 0.000 -8.421) 15.600 4.975 ( 6.923 0.000 -8.770) 11.173 5.270 ( 15.279 0.000 3.717) 15.725 5.293 ( 21.420 0.000 10.285) 23.761 5.643 ( 16.975 0.000 -2.798) 17.204 5.710 ( 11.639 0.000 -0.726) 11.662 6.023 ( -4.193 -0.000 -7.189) 8.323 6.156 ( 5.969 0.000 -4.555) 7.509 6.255 ( 20.178 0.000 -6.151) 21.095 6.285 ( 16.107 0.000 2.259) 16.265 6.713 ( 20.287 0.000 9.768) 22.516 6.743 ( 23.791 0.000 13.222) 27.218 6.907 ( 30.866 0.000 -3.818) 31.101 7.003 ( 28.379 0.000 21.531) 35.622 7.680 ( 8.469 0.000 16.728) 18.750 7.985 ( 7.909 0.000 16.318) 18.134 8.315 ( -5.019 -0.000 -3.155) 5.929 8.505 ( 3.498 0.000 -4.697) 5.856 8.785 ( -22.135 -0.000 23.148) 32.028 8.970 ( -10.555 -0.000 11.098) 15.316 9.879 ( -23.243 -0.000 -8.087) 24.610 10.064 ( -14.875 -0.000 -14.649) 20.878 10.348 ( -34.009 -0.000 -12.625) 36.277 10.352 ( -36.349 -0.000 -12.475) 38.431 11.674 ( -15.124 -0.000 -6.951) 16.645 11.743 ( -7.391 -0.000 -5.616) 9.282 11.992 ( 0.675 0.000 -3.744) 3.804 12.063 ( -11.366 -0.000 2.923) 11.736 12.293 ( -11.982 -0.000 -8.144) 14.487 12.302 ( -12.985 -0.000 4.419) 13.716 12.913 ( 0.469 0.000 -1.097) 1.193 13.190 ( -3.255 -0.000 -4.063) 5.206 13.285 ( -10.186 -0.000 4.920) 11.311 13.759 ( 0.753 0.000 1.771) 1.924 13.771 ( -1.624 -0.000 6.660) 6.855 14.001 ( -0.072 -0.000 0.037) 0.082 14.037 ( 1.260 0.000 1.535) 1.986 14.061 ( 4.230 0.000 -1.829) 4.608 14.131 ( 1.035 0.000 2.158) 2.393 14.163 ( 2.138 0.000 -1.894) 2.856 16.736 ( -0.679 -0.000 -1.499) 1.645 16.762 ( -2.409 -0.000 6.461) 6.895 16.882 ( 1.722 0.000 -1.174) 2.084 17.127 ( -1.402 -0.000 -3.826) 4.074 17.164 ( 3.388 0.000 -4.397) 5.550 17.200 ( 1.804 0.000 3.755) 4.166 17.339 ( 4.175 0.000 -4.142) 5.881 17.462 ( 2.568 0.000 0.195) 2.575 17.577 ( -11.331 -0.000 -1.029) 11.378 17.709 ( -7.849 -0.000 0.126) 7.850 17.839 ( -9.131 -0.000 -0.962) 9.182 17.910 ( -8.005 -0.000 1.199) 8.095 18.183 ( -8.896 -0.000 0.372) 8.904 18.223 ( -8.330 -0.000 -2.228) 8.622 18.366 ( -8.490 -0.000 1.703) 8.660 18.459 ( -12.097 -0.000 0.272) 12.100 19.166 ( -2.974 -0.000 2.424) 3.837 19.475 ( -0.137 -0.000 1.698) 1.704 19.579 ( 0.279 0.000 7.858) 7.863 19.942 ( 1.071 0.000 -2.615) 2.826 20.100 ( -0.802 -0.000 4.515) 4.585 20.105 ( 2.115 0.000 -5.880) 6.249 20.123 ( -0.013 -0.000 -3.409) 3.409 20.290 ( 3.475 0.000 -3.463) 4.906 ======================= Grid point 165 (87/100) ======================= q-point: ( 0.43 0.29 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.726 ( 24.771 5.733 -5.254) 25.962 3.956 ( 12.315 9.819 7.003) 17.237 4.121 ( 13.360 12.930 -1.176) 18.630 4.372 ( 24.156 18.985 -10.435) 32.447 4.455 ( 7.136 6.299 2.581) 9.863 4.541 ( 9.671 23.418 -2.633) 25.472 4.586 ( 15.011 -4.031 7.226) 17.141 4.851 ( 9.318 -3.089 0.354) 9.823 5.071 ( 5.672 0.364 1.527) 5.886 5.268 ( 2.553 -10.176 1.046) 10.543 5.348 ( 15.400 10.607 -3.143) 18.962 5.606 ( 14.514 11.482 15.517) 24.151 5.857 ( 11.830 0.129 -5.027) 12.854 5.902 ( -6.945 -1.587 2.044) 7.412 5.990 ( 9.746 -13.904 2.921) 17.229 6.378 ( 15.721 -0.237 -3.785) 16.172 6.415 ( 13.980 5.816 7.792) 17.029 6.641 ( 18.464 -1.607 -3.210) 18.809 6.900 ( 25.297 15.503 3.955) 29.933 7.042 ( 19.443 9.238 2.889) 21.719 7.327 ( 19.319 -4.518 9.077) 21.818 7.739 ( 20.378 -14.550 -1.762) 25.101 7.813 ( 5.275 -2.198 3.079) 6.491 7.957 ( -11.257 11.314 1.768) 16.058 8.209 ( -1.581 3.653 3.374) 5.218 8.464 ( -0.433 -5.084 6.562) 8.313 8.578 ( -10.015 15.612 1.451) 18.604 8.909 ( -10.562 -19.168 5.554) 22.579 9.285 ( -29.869 19.713 -14.825) 38.737 9.526 ( -39.380 11.568 -7.168) 41.666 9.887 ( -22.851 -18.296 -12.370) 31.779 10.105 ( -20.165 -21.200 -7.579) 30.224 11.492 ( -9.289 -3.756 -2.957) 10.447 11.662 ( -6.920 -7.675 -3.995) 11.080 11.913 ( -4.573 2.206 2.203) 5.535 12.056 ( 1.064 -3.953 -6.199) 7.429 12.123 ( -7.542 -4.871 0.151) 8.979 12.188 ( -11.411 -4.538 2.458) 12.524 12.926 ( 0.119 -2.519 -1.194) 2.791 13.176 ( -9.040 -2.196 4.207) 10.210 13.229 ( 5.680 -2.222 1.198) 6.216 13.727 ( -2.581 4.374 5.686) 7.624 13.788 ( 1.699 0.375 1.662) 2.406 13.980 ( -1.059 1.020 -0.322) 1.505 14.071 ( 0.775 -0.735 1.457) 1.806 14.089 ( 3.126 1.742 -2.579) 4.411 14.153 ( 0.043 -0.372 0.549) 0.664 14.174 ( 0.537 -0.222 -1.861) 1.950 16.726 ( -0.675 0.194 1.234) 1.420 16.777 ( 1.641 0.450 4.971) 5.254 16.931 ( 0.819 -3.916 0.544) 4.037 17.056 ( -1.265 3.022 -4.902) 5.896 17.201 ( 1.174 -1.790 -2.131) 3.020 17.257 ( 3.552 0.880 3.402) 4.997 17.365 ( 2.440 -0.041 -4.526) 5.142 17.437 ( -5.711 -0.186 -0.394) 5.727 17.479 ( -2.609 -0.933 -0.021) 2.771 17.595 ( -7.758 -1.935 -1.535) 8.142 17.758 ( -3.509 -1.500 -0.459) 3.844 17.826 ( -6.011 -2.584 1.003) 6.619 18.066 ( -5.811 -1.425 -0.830) 6.040 18.169 ( -4.896 -5.891 -0.976) 7.722 18.238 ( -9.406 -0.306 1.765) 9.575 18.323 ( -10.136 -4.703 -0.089) 11.175 19.178 ( 1.131 -1.528 3.505) 3.988 19.450 ( 0.669 3.727 4.452) 5.845 19.654 ( -0.432 -2.670 5.580) 6.201 19.915 ( -2.323 -0.258 -2.648) 3.532 20.053 ( -0.663 2.857 -7.484) 8.038 20.106 ( 0.390 -0.191 -1.659) 1.715 20.133 ( 0.279 -0.300 1.868) 1.912 20.315 ( 3.029 0.547 -4.625) 5.555 ======================= Grid point 166 (88/100) ======================= q-point: (-0.43 0.29 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.674 ( 4.985 28.442 4.042) 29.157 3.941 ( 8.193 13.462 -5.145) 16.578 4.096 ( 14.924 14.264 -2.241) 20.765 4.293 ( 5.403 18.170 7.538) 20.400 4.547 ( 18.729 2.009 5.519) 19.629 4.608 ( 26.415 13.150 -3.201) 29.680 4.782 ( 6.366 14.342 8.960) 18.069 5.020 ( 11.670 3.256 3.949) 12.744 5.096 ( -0.547 -0.324 2.214) 2.303 5.224 ( -6.464 6.068 -1.494) 8.991 5.421 ( 11.632 11.396 -1.562) 16.358 5.578 ( 0.472 13.734 4.410) 14.432 5.838 ( -0.030 5.674 6.216) 8.416 6.003 ( 7.475 -3.223 0.900) 8.190 6.232 ( -2.984 1.639 11.975) 12.450 6.332 ( 0.473 9.968 -3.879) 10.707 6.527 ( 4.012 12.903 15.938) 20.895 6.767 ( 18.477 13.856 5.273) 23.690 6.929 ( 9.201 22.951 15.638) 29.257 7.193 ( 11.595 11.726 -3.089) 16.778 7.391 ( 5.264 14.084 -9.591) 17.834 7.475 ( -15.080 12.168 -7.598) 20.813 7.665 ( -6.065 18.160 -9.350) 21.307 7.914 ( -17.648 25.024 -9.714) 32.125 8.038 ( -9.181 14.405 1.387) 17.139 8.260 ( 13.864 -18.771 -14.471) 27.459 8.383 ( -19.341 9.311 -13.051) 25.121 8.819 ( -30.375 -3.579 -3.053) 30.737 9.190 ( 10.722 -29.099 7.504) 31.906 9.364 ( 3.074 -30.619 -0.088) 30.773 9.878 ( -9.139 -25.840 -2.181) 27.495 10.282 ( -8.620 -30.317 -4.544) 31.844 11.510 ( -1.493 -9.840 0.784) 9.984 11.711 ( -6.392 -14.125 -5.062) 16.310 11.920 ( 3.658 -3.697 0.176) 5.204 12.070 ( -5.075 -5.749 -0.175) 7.670 12.149 ( -4.072 -8.016 6.302) 10.980 12.238 ( 0.650 -10.648 -0.028) 10.668 12.990 ( 2.321 -4.259 0.735) 4.906 13.142 ( -5.627 -6.662 0.623) 8.743 13.386 ( 9.223 -1.721 3.097) 9.881 13.644 ( -3.445 3.922 3.720) 6.410 13.813 ( 2.423 1.513 1.617) 3.282 13.943 ( -1.756 0.728 -1.737) 2.576 14.074 ( 1.342 2.646 -1.085) 3.160 14.090 ( 0.291 0.387 -0.311) 0.576 14.137 ( -0.003 1.473 -1.700) 2.249 14.169 ( -1.399 -0.097 -0.069) 1.404 16.728 ( 0.294 0.260 3.528) 3.550 16.838 ( 2.825 -1.274 0.914) 3.230 16.958 ( -3.292 -0.937 -0.484) 3.457 17.021 ( 2.808 -0.217 -0.865) 2.946 17.211 ( -1.141 0.550 2.256) 2.587 17.280 ( 2.144 2.327 -0.917) 3.294 17.363 ( -3.200 1.705 -0.699) 3.693 17.379 ( 1.620 0.334 -3.970) 4.301 17.486 ( -1.352 -5.331 1.266) 5.644 17.584 ( -2.764 -8.040 -2.734) 8.930 17.750 ( -0.520 -3.310 0.084) 3.352 17.840 ( -2.975 -6.303 0.088) 6.970 18.072 ( -0.904 -6.301 -0.593) 6.393 18.159 ( -5.977 -5.021 1.161) 7.892 18.253 ( -0.512 -10.091 0.278) 10.108 18.320 ( -4.914 -10.127 -0.084) 11.257 19.269 ( 4.204 -2.859 4.344) 6.687 19.454 ( 2.601 2.095 5.838) 6.726 19.636 ( -4.808 1.907 0.091) 5.173 19.862 ( -1.932 3.134 -6.328) 7.321 19.979 ( -1.953 -1.094 -0.880) 2.406 20.100 ( 0.493 -0.497 -5.300) 5.346 20.150 ( 0.054 0.280 4.620) 4.629 20.309 ( 1.471 1.763 -4.963) 5.469 ======================= Grid point 167 (89/100) ======================= q-point: (-0.29 0.29 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.377 ( 3.281 23.818 17.152) 29.534 3.742 ( -0.659 11.356 -19.039) 22.178 4.092 ( -4.425 14.811 8.284) 17.538 4.135 ( 12.789 9.742 -1.457) 16.142 4.499 ( -12.380 22.282 13.745) 28.960 4.678 ( 8.372 13.384 4.462) 16.405 4.799 ( 5.779 9.448 -3.805) 11.711 4.908 ( 2.117 13.369 -10.735) 17.276 5.021 ( 11.271 24.745 0.388) 27.194 5.063 ( -6.670 7.628 -1.612) 10.260 5.303 ( 5.205 18.582 1.101) 19.328 5.305 ( -6.957 8.284 -3.698) 11.433 5.759 ( 2.223 15.265 10.273) 18.534 5.874 ( -11.579 18.987 0.315) 22.241 6.163 ( 8.659 9.521 17.630) 21.828 6.283 ( 5.774 4.638 12.548) 14.571 6.470 ( -0.208 7.160 -1.266) 7.274 6.723 ( -6.362 22.909 9.644) 25.658 6.732 ( -3.549 21.260 -10.827) 24.121 6.922 ( 5.957 20.505 -8.772) 23.084 6.963 ( -3.784 25.039 13.341) 28.623 7.155 ( 1.226 10.648 5.425) 12.013 7.289 ( -3.471 24.870 -15.358) 29.435 7.521 ( 3.164 -3.191 -14.725) 15.395 7.711 ( -5.490 12.703 6.536) 15.304 8.039 ( -7.381 5.603 -16.591) 19.004 8.526 ( -20.937 -14.335 11.122) 27.705 8.807 ( 14.786 -20.989 -16.997) 30.791 9.722 ( 4.103 -27.261 -0.646) 27.575 9.777 ( 0.411 -25.251 -5.582) 25.864 10.402 ( 8.931 -32.190 10.774) 35.101 10.578 ( -8.531 -29.992 -6.368) 31.825 11.688 ( 0.800 -10.864 6.188) 12.528 11.818 ( -3.589 -14.669 -6.631) 16.493 12.051 ( -5.811 -9.019 4.409) 11.600 12.118 ( 6.195 -7.747 -2.389) 10.203 12.314 ( -5.089 -12.342 8.246) 15.691 12.431 ( 6.984 -11.181 -3.801) 13.720 13.126 ( 4.852 -5.980 3.928) 8.645 13.198 ( -2.791 -9.113 -2.709) 9.908 13.534 ( 7.735 0.948 1.993) 8.043 13.557 ( -4.411 1.025 -0.608) 4.569 13.829 ( 2.008 1.992 2.329) 3.664 13.888 ( -2.047 0.993 -3.707) 4.350 14.042 ( -0.430 2.699 0.488) 2.776 14.062 ( -0.803 1.643 -1.676) 2.481 14.125 ( -0.004 1.190 0.163) 1.201 14.128 ( -0.742 1.973 -0.277) 2.126 16.763 ( 1.378 -0.782 3.928) 4.236 16.846 ( -1.489 -0.421 -4.557) 4.812 16.982 ( 1.471 -1.685 4.296) 4.844 17.048 ( 0.943 -0.779 -2.202) 2.518 17.187 ( -1.026 2.134 3.871) 4.538 17.247 ( -0.084 2.379 -2.454) 3.419 17.294 ( -1.237 3.373 0.747) 3.669 17.355 ( 1.431 3.037 -4.650) 5.735 17.616 ( 1.967 -9.879 2.091) 10.288 17.664 ( -1.792 -9.175 -2.884) 9.783 17.873 ( 3.226 -8.454 1.080) 9.113 17.891 ( -3.363 -8.034 -0.823) 8.749 18.186 ( -1.666 -8.315 1.804) 8.670 18.216 ( 1.626 -8.817 -1.284) 9.057 18.430 ( 0.207 -11.900 1.098) 11.952 18.442 ( -0.314 -11.152 -0.244) 11.159 19.403 ( 4.180 -2.955 5.447) 7.475 19.506 ( -6.251 0.171 -4.762) 7.860 19.520 ( 4.830 2.362 8.363) 9.942 19.706 ( -2.939 6.251 -9.472) 11.723 20.011 ( -0.622 -3.222 2.812) 4.322 20.089 ( 0.312 -0.562 -4.731) 4.775 20.170 ( 0.276 0.453 4.311) 4.344 20.261 ( -0.253 2.729 -4.433) 5.212 ======================= Grid point 168 (90/100) ======================= q-point: (-0.14 0.29 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.309 ( 6.463 9.207 25.395) 27.775 3.473 ( -2.737 6.151 -24.186) 25.106 3.841 ( -7.752 13.844 14.852) 21.733 4.034 ( -14.799 11.112 -2.059) 18.620 4.097 ( -1.998 12.594 -8.130) 15.123 4.349 ( -11.710 14.414 -7.709) 20.107 4.471 ( -3.703 20.454 -4.453) 21.259 4.590 ( -11.823 14.262 -18.491) 26.174 4.772 ( 5.684 12.907 2.196) 14.274 5.020 ( 13.705 16.088 -2.670) 21.302 5.031 ( 0.014 6.662 -6.199) 9.100 5.265 ( -2.112 13.985 5.295) 15.102 5.433 ( 1.360 13.587 2.930) 13.965 5.793 ( 22.802 21.841 20.649) 37.727 6.085 ( -13.510 17.563 0.990) 22.180 6.234 ( 6.314 16.457 -3.244) 17.923 6.282 ( -7.351 7.189 5.184) 11.514 6.380 ( 17.707 24.381 1.683) 30.180 6.416 ( -4.020 -0.786 -4.691) 6.228 6.680 ( 6.644 17.721 -3.004) 19.162 6.820 ( 2.194 13.952 5.955) 15.327 6.902 ( 12.978 24.367 -8.719) 28.952 7.321 ( -5.719 6.796 -12.138) 15.041 7.394 ( 6.111 -4.574 13.289) 15.325 7.744 ( 14.689 7.179 25.871) 30.604 7.874 ( 7.534 2.657 -16.118) 17.989 8.576 ( -18.391 -20.361 20.231) 34.090 9.171 ( 7.790 -12.909 -8.576) 17.345 10.043 ( -3.444 -20.983 -5.215) 21.894 10.119 ( 0.742 -21.499 -5.152) 22.120 10.759 ( -13.671 -24.474 -5.581) 28.583 10.935 ( 0.809 -21.604 3.325) 21.873 11.844 ( -2.285 -7.052 5.575) 9.275 11.942 ( -2.847 -12.873 -7.076) 14.963 12.179 ( -3.050 -15.405 5.253) 16.559 12.292 ( 3.955 -3.686 -0.864) 5.475 12.396 ( -8.682 -9.917 3.394) 13.610 12.653 ( 4.095 -8.100 -4.623) 10.186 13.210 ( -5.394 -1.441 -0.576) 5.613 13.346 ( 5.619 -8.961 2.913) 10.971 13.496 ( -4.232 -3.916 -7.728) 9.642 13.590 ( 2.922 1.709 0.417) 3.410 13.787 ( -3.244 1.945 -1.026) 3.919 13.884 ( 3.316 0.330 0.341) 3.350 13.983 ( -1.947 2.030 0.353) 2.835 14.028 ( -1.751 3.329 0.578) 3.806 14.063 ( 0.465 1.698 0.864) 1.961 14.142 ( 2.725 1.793 0.813) 3.362 16.800 ( -1.458 0.315 -0.706) 1.650 16.822 ( 1.061 -1.616 0.862) 2.117 16.982 ( -4.664 -0.759 -2.031) 5.143 17.084 ( 2.245 -0.489 -0.171) 2.304 17.179 ( 2.157 1.265 1.658) 3.000 17.207 ( 0.987 3.573 -2.070) 4.246 17.242 ( -0.270 2.011 2.388) 3.134 17.313 ( 2.621 3.446 -2.505) 5.002 17.759 ( -2.034 -8.813 -1.886) 9.239 17.801 ( 1.888 -9.465 1.524) 9.771 17.942 ( -4.991 -7.640 -0.345) 9.132 18.042 ( 1.383 -7.697 0.523) 7.838 18.286 ( -2.220 -8.102 1.140) 8.478 18.360 ( 1.208 -7.014 -0.902) 7.174 18.546 ( -3.996 -8.296 -0.512) 9.223 18.598 ( 0.318 -7.666 0.951) 7.731 19.373 ( -5.948 0.342 0.899) 6.026 19.491 ( -5.797 0.648 -1.397) 5.998 19.572 ( 6.895 1.478 -0.455) 7.067 19.653 ( 6.556 -0.845 1.588) 6.799 20.057 ( -0.073 -2.237 1.376) 2.628 20.085 ( 0.305 -0.636 -2.112) 2.227 20.162 ( -1.852 1.920 0.615) 2.738 20.216 ( 1.405 1.202 -0.846) 2.034 ======================= Grid point 172 (91/100) ======================= q-point: ( 0.43 0.43 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.166 ( 26.921 0.000 -0.927) 26.937 4.249 ( 11.318 0.000 6.570) 13.087 4.492 ( 12.969 0.000 3.522) 13.439 4.568 ( 9.883 0.000 1.946) 10.073 4.647 ( 0.301 0.000 11.275) 11.279 4.777 ( -5.216 -0.000 -0.875) 5.288 4.781 ( 4.502 0.000 -8.326) 9.465 4.892 ( 7.211 0.000 -4.649) 8.580 5.089 ( 8.439 0.000 -1.600) 8.589 5.297 ( 5.468 0.000 4.211) 6.902 5.610 ( 8.493 0.000 15.157) 17.374 5.660 ( -3.327 -0.000 3.296) 4.683 5.966 ( 3.379 0.000 8.706) 9.339 6.149 ( 16.610 0.000 -17.146) 23.872 6.156 ( 18.840 0.000 8.643) 20.728 6.504 ( -3.104 -0.000 -0.264) 3.115 6.749 ( 23.098 0.000 14.166) 27.096 6.907 ( 27.545 0.000 -11.991) 30.042 7.365 ( 5.320 0.000 -4.681) 7.086 7.404 ( 16.394 0.000 11.969) 20.299 7.650 ( -6.777 -0.000 6.778) 9.585 7.791 ( 30.703 0.000 -6.156) 31.314 7.894 ( 5.304 0.000 -1.679) 5.564 8.114 ( 6.563 0.000 2.229) 6.932 8.182 ( 4.404 0.000 4.157) 6.056 8.434 ( -7.492 -0.000 -2.365) 7.857 8.462 ( -8.036 -0.000 8.711) 11.852 8.604 ( -10.509 -0.000 -8.599) 13.579 9.000 ( -44.095 -0.000 -3.709) 44.251 9.067 ( -34.980 -0.000 -16.095) 38.505 9.199 ( -14.637 -0.000 -6.042) 15.835 9.554 ( -18.227 -0.000 -6.995) 19.523 11.355 ( -3.557 -0.000 -0.900) 3.669 11.467 ( -8.251 -0.000 -1.799) 8.445 11.882 ( -4.712 -0.000 6.768) 8.246 11.987 ( -1.890 -0.000 -7.176) 7.421 12.014 ( -9.224 -0.000 5.271) 10.624 12.041 ( 3.797 0.000 -5.846) 6.971 12.922 ( 4.199 0.000 -3.261) 5.316 13.042 ( -8.322 -0.000 2.201) 8.608 13.362 ( 10.237 0.000 6.291) 12.016 13.722 ( -5.446 -0.000 2.147) 5.854 13.825 ( 2.188 0.000 2.698) 3.474 13.961 ( -1.994 -0.000 -1.441) 2.460 14.077 ( -0.192 -0.000 3.166) 3.172 14.130 ( 2.205 0.000 -3.168) 3.860 14.148 ( -0.962 -0.000 1.452) 1.742 14.174 ( 1.014 0.000 -3.226) 3.382 16.742 ( 1.514 0.000 1.673) 2.257 16.849 ( 2.315 0.000 8.100) 8.424 16.878 ( -2.412 -0.000 -1.798) 3.009 17.049 ( 0.644 0.000 -5.234) 5.274 17.200 ( 1.398 0.000 -0.008) 1.398 17.312 ( -3.351 -0.000 1.772) 3.791 17.363 ( 0.538 0.000 -5.162) 5.190 17.366 ( 4.095 0.000 1.640) 4.411 17.430 ( -6.438 -0.000 -5.043) 8.178 17.487 ( -2.621 -0.000 1.923) 3.251 17.727 ( -0.100 -0.000 0.020) 0.102 17.731 ( -4.286 -0.000 1.395) 4.507 18.008 ( -1.306 -0.000 -1.532) 2.013 18.044 ( -2.086 -0.000 -1.150) 2.382 18.113 ( -9.170 -0.000 1.769) 9.339 18.129 ( -8.709 -0.000 -0.589) 8.729 19.226 ( 4.013 0.000 5.194) 6.563 19.480 ( -0.961 -0.000 -0.001) 0.961 19.696 ( 1.713 0.000 10.060) 10.205 19.845 ( -4.665 -0.000 -0.525) 4.694 20.031 ( -0.939 -0.000 -8.774) 8.824 20.075 ( 1.031 0.000 -11.120) 11.168 20.150 ( -1.664 -0.000 9.626) 9.769 20.337 ( 2.621 0.000 -6.081) 6.622 ======================= Grid point 173 (92/100) ======================= q-point: (-0.43 0.43 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.160 ( -1.354 23.265 0.726) 23.316 4.190 ( 2.063 20.957 -2.991) 21.269 4.438 ( -11.301 13.173 3.870) 17.782 4.525 ( 14.672 15.526 -3.963) 21.727 4.725 ( -12.489 -11.469 11.789) 20.652 4.833 ( 4.117 -5.069 2.681) 7.059 4.940 ( 8.447 -6.173 -1.666) 10.593 4.957 ( -4.482 -3.036 -5.164) 7.482 5.255 ( 3.129 -0.287 9.837) 10.327 5.371 ( 4.548 -9.879 -4.677) 11.839 5.477 ( 5.422 18.618 10.582) 22.091 5.760 ( 0.430 15.355 -9.969) 18.312 6.062 ( -8.265 -4.738 9.873) 13.719 6.156 ( 5.981 4.375 -1.633) 7.588 6.268 ( 6.940 10.025 6.308) 13.728 6.395 ( -6.459 5.205 -4.144) 9.272 7.034 ( 13.814 11.851 17.132) 24.995 7.133 ( 13.924 10.200 1.928) 17.368 7.192 ( -13.952 6.327 -5.500) 16.277 7.373 ( -12.760 8.784 -12.780) 20.083 7.545 ( 7.200 13.520 13.421) 20.365 7.731 ( -16.318 18.541 0.746) 24.711 7.934 ( 9.527 28.898 -9.795) 31.966 7.992 ( 4.023 11.788 -10.601) 16.356 8.175 ( -17.335 17.741 6.896) 25.745 8.225 ( -4.787 8.359 1.375) 9.730 8.318 ( -0.362 14.124 -4.072) 14.704 8.348 ( 2.141 -6.366 -9.225) 11.411 8.847 ( 1.779 -31.687 3.393) 31.918 8.970 ( 5.071 -30.819 -8.059) 32.256 9.440 ( 7.635 -30.429 7.866) 32.344 9.604 ( -11.620 -33.445 -7.569) 36.206 11.401 ( 2.672 -6.566 1.450) 7.236 11.432 ( -4.482 -8.789 -1.693) 10.009 11.886 ( -3.164 -3.133 5.306) 6.927 11.958 ( -2.140 -3.170 1.128) 3.988 12.017 ( 1.383 -5.982 1.433) 6.305 12.125 ( 4.104 -7.923 -6.535) 11.060 12.980 ( -4.558 -4.269 -0.255) 6.250 13.012 ( 7.682 -2.098 -3.327) 8.631 13.543 ( 10.072 0.063 5.603) 11.526 13.615 ( -7.390 1.576 -1.223) 7.654 13.869 ( 2.352 0.465 2.571) 3.515 13.915 ( -2.353 0.725 -2.159) 3.274 14.080 ( -1.496 0.501 2.496) 2.952 14.120 ( 0.418 1.689 -1.026) 2.020 14.142 ( -0.862 0.077 -0.015) 0.866 14.168 ( 0.830 0.703 -2.183) 2.439 16.771 ( 1.704 1.237 3.345) 3.952 16.828 ( -1.961 -0.716 -2.923) 3.592 16.929 ( 0.802 -1.636 5.952) 6.225 17.041 ( 1.746 0.164 -5.155) 5.445 17.223 ( -0.203 0.368 3.906) 3.929 17.303 ( -3.111 1.281 -4.102) 5.305 17.313 ( 0.697 -2.829 1.094) 3.112 17.365 ( -0.103 -2.337 -3.987) 4.622 17.456 ( -0.148 0.066 0.672) 0.692 17.474 ( 2.530 -2.595 -1.269) 3.840 17.720 ( -0.272 -2.354 1.055) 2.594 17.738 ( 0.045 -1.674 -0.591) 1.776 18.013 ( -3.603 -2.553 1.365) 4.622 18.036 ( 3.006 -2.545 -0.957) 4.053 18.105 ( -1.901 -8.520 1.362) 8.836 18.134 ( 1.593 -8.542 -1.556) 8.827 19.332 ( 5.225 -1.453 5.794) 7.936 19.452 ( -2.389 -1.164 -5.157) 5.802 19.694 ( -0.834 6.377 9.155) 11.188 19.838 ( -1.230 -1.339 1.010) 2.080 19.946 ( -1.172 1.776 -4.925) 5.365 20.054 ( 0.642 -1.957 -9.602) 9.820 20.172 ( -1.524 -0.141 8.737) 8.870 20.325 ( 1.164 1.351 -6.496) 6.737 ======================= Grid point 174 (93/100) ======================= q-point: (-0.29 -0.57 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.765 ( -9.368 17.121 -2.458) 19.670 3.846 ( -3.145 21.443 0.801) 21.687 4.067 ( -13.742 11.697 -1.618) 18.119 4.444 ( -11.048 10.972 -5.369) 16.470 4.505 ( -15.850 4.658 6.018) 17.583 4.691 ( -12.820 8.273 -6.124) 16.441 4.809 ( -18.191 14.626 9.965) 25.380 5.006 ( 1.921 2.329 0.966) 3.170 5.199 ( -8.865 21.954 -8.911) 25.297 5.294 ( -3.389 6.312 -10.867) 13.016 5.470 ( 2.741 -2.840 -3.485) 5.266 5.606 ( 14.015 11.679 3.419) 18.561 5.842 ( -12.163 12.081 4.637) 17.759 6.084 ( -6.757 -3.906 -5.674) 9.649 6.201 ( 0.542 6.208 9.567) 11.417 6.361 ( 2.279 2.509 -1.463) 3.692 6.721 ( -21.907 15.040 -4.079) 26.884 6.840 ( -18.666 22.068 -2.672) 29.027 7.018 ( 2.761 8.251 15.865) 18.094 7.217 ( 5.877 10.452 10.623) 16.020 7.227 ( -7.776 9.437 -12.682) 17.617 7.371 ( -2.682 21.147 15.437) 26.319 7.516 ( 2.958 24.165 -15.261) 28.733 7.863 ( 14.861 17.112 1.023) 22.687 7.949 ( 6.323 9.804 8.062) 14.181 8.100 ( 5.017 10.755 -0.132) 11.869 8.183 ( 3.485 1.464 7.618) 8.504 8.832 ( 26.715 -8.274 -4.459) 28.320 9.334 ( -3.081 -30.212 -4.201) 30.658 9.380 ( 4.689 -26.530 -6.668) 27.754 9.933 ( -3.699 -30.593 -5.448) 31.294 10.138 ( 10.895 -32.508 9.511) 35.580 11.530 ( -1.465 -11.932 -0.977) 12.061 11.613 ( 4.838 -10.500 4.206) 12.302 11.881 ( -4.782 -3.249 3.135) 6.576 12.059 ( -2.420 -9.973 3.730) 10.920 12.175 ( 6.868 -6.529 -0.069) 9.476 12.325 ( 5.612 -12.764 -6.483) 15.377 13.029 ( -0.450 -8.235 -3.271) 8.872 13.158 ( 8.497 -3.204 -1.358) 9.182 13.469 ( -8.206 0.679 -4.382) 9.327 13.670 ( 6.361 2.355 1.469) 6.940 13.850 ( -2.462 1.778 -2.166) 3.730 13.904 ( 2.345 0.886 1.889) 3.139 14.039 ( -2.563 1.943 1.488) 3.544 14.103 ( -2.208 1.249 1.215) 2.812 14.107 ( 0.808 1.803 -0.933) 2.185 14.170 ( 1.297 0.327 0.025) 1.338 16.778 ( -1.087 -1.118 -0.262) 1.581 16.821 ( 1.555 1.125 0.017) 1.919 16.958 ( -2.169 -0.760 1.300) 2.640 17.052 ( 1.906 -1.512 -3.714) 4.440 17.210 ( -1.778 0.809 2.357) 3.061 17.255 ( -0.764 0.362 1.569) 1.782 17.334 ( 0.165 2.676 -0.456) 2.720 17.389 ( 1.989 0.588 -3.121) 3.747 17.515 ( 0.710 -7.405 -0.637) 7.466 17.556 ( 4.192 -5.283 -0.784) 6.790 17.753 ( -0.816 -4.110 -0.247) 4.198 17.832 ( 3.627 -5.602 0.878) 6.731 18.058 ( 0.756 -6.544 0.772) 6.633 18.173 ( 5.593 -5.449 -0.128) 7.810 18.249 ( 0.599 -10.599 0.618) 10.634 18.322 ( 4.810 -9.901 -0.267) 11.011 19.379 ( -4.975 -0.528 -6.219) 7.982 19.450 ( 2.564 -1.946 3.766) 4.954 19.666 ( 1.911 3.947 7.079) 8.327 19.750 ( 1.242 6.467 -4.547) 8.003 19.974 ( -0.428 -3.363 4.631) 5.739 20.055 ( 0.957 -1.680 -5.839) 6.151 20.192 ( -1.039 0.023 6.095) 6.183 20.272 ( -0.269 2.444 -5.502) 6.026 ======================= Grid point 175 (94/100) ======================= q-point: (-0.14 -0.57 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.397 ( -12.994 7.157 -8.641) 17.168 3.580 ( -3.724 10.454 5.908) 12.572 3.749 ( -11.305 4.654 -2.158) 12.414 3.932 ( -24.360 4.246 -6.215) 25.497 4.185 ( -13.282 19.387 -6.200) 24.304 4.287 ( -21.714 8.448 4.759) 23.781 4.376 ( -10.908 13.765 -3.259) 17.863 4.740 ( 3.328 16.185 -4.152) 17.037 4.879 ( -4.738 6.159 -9.241) 12.074 5.138 ( -7.438 12.258 -7.744) 16.296 5.391 ( 6.095 6.958 -9.759) 13.447 5.497 ( -1.045 12.795 3.413) 13.283 5.633 ( 2.225 9.434 4.137) 10.539 6.012 ( -10.535 -1.829 -1.052) 10.745 6.222 ( -12.448 6.653 8.090) 16.268 6.265 ( -7.030 2.701 4.724) 8.890 6.332 ( -9.498 -1.825 -1.785) 9.835 6.479 ( 18.557 12.738 3.361) 22.758 6.893 ( -1.874 19.989 -10.701) 22.751 6.926 ( -9.782 9.383 -2.034) 13.706 7.180 ( 5.386 15.660 4.182) 17.080 7.243 ( 11.090 5.521 8.783) 15.186 7.443 ( 11.547 0.008 9.272) 14.809 7.854 ( 22.719 21.494 -0.282) 31.277 8.023 ( 10.957 14.251 -3.963) 18.408 8.082 ( 1.275 -5.456 20.933) 21.670 8.283 ( 7.645 3.472 12.470) 15.034 9.217 ( 17.994 -1.625 -1.289) 18.113 9.555 ( -14.925 -27.096 -12.055) 33.201 9.768 ( -0.012 -22.524 -4.401) 22.949 10.261 ( 1.544 -17.925 -0.956) 18.017 10.648 ( 0.995 -20.999 3.491) 21.310 11.688 ( -0.107 -11.091 -0.994) 11.136 11.796 ( 1.646 -2.219 3.594) 4.533 11.940 ( -3.924 -13.020 5.197) 14.558 12.170 ( -3.854 -9.447 3.576) 10.812 12.342 ( 6.262 -2.114 -2.272) 6.989 12.509 ( -0.087 -9.950 -7.285) 12.332 13.118 ( -0.388 -3.627 -4.445) 5.751 13.293 ( -2.593 -5.548 2.144) 6.489 13.384 ( 4.185 -2.751 -7.343) 8.888 13.653 ( -0.255 5.185 -2.007) 5.566 13.777 ( -1.560 2.371 -2.153) 3.562 13.938 ( 2.360 0.440 1.372) 2.766 13.987 ( -1.598 1.479 1.294) 2.533 14.025 ( -3.328 2.564 0.238) 4.208 14.124 ( 2.345 0.934 2.065) 3.261 14.189 ( 1.267 0.194 1.011) 1.633 16.774 ( -0.365 -0.029 -3.066) 3.087 16.824 ( -0.688 -1.042 1.406) 1.881 16.918 ( -2.548 1.284 -0.790) 2.961 17.087 ( 1.114 -1.731 -1.574) 2.591 17.206 ( 0.192 -0.611 0.227) 0.679 17.256 ( 0.774 2.120 -1.271) 2.590 17.274 ( -1.406 1.761 2.553) 3.405 17.386 ( 2.666 2.154 -0.838) 3.528 17.623 ( 0.832 -6.463 -1.831) 6.769 17.714 ( 2.296 -7.173 0.728) 7.566 17.813 ( 0.519 -4.051 0.421) 4.105 17.962 ( 1.492 -5.877 0.416) 6.078 18.186 ( 2.384 -5.680 0.648) 6.194 18.305 ( 2.609 -3.943 -0.397) 4.745 18.380 ( -1.461 -7.210 -0.099) 7.357 18.506 ( 2.761 -6.970 0.277) 7.502 19.293 ( -4.008 -0.328 -2.078) 4.526 19.432 ( -4.189 2.521 -2.387) 5.440 19.687 ( 5.413 1.259 0.240) 5.563 19.763 ( 5.073 1.071 4.917) 7.146 20.030 ( 0.176 -2.500 1.900) 3.145 20.072 ( 0.905 -1.038 -1.572) 2.090 20.165 ( -2.233 2.580 -0.717) 3.486 20.240 ( 0.721 0.081 0.424) 0.840 ======================= Grid point 180 (95/100) ======================= q-point: (-0.43 -0.43 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.114 ( -29.124 -0.000 4.133) 29.416 4.253 ( -23.912 -0.000 13.015) 27.225 4.503 ( -12.196 -0.000 2.115) 12.378 4.505 ( -9.899 -0.000 -2.249) 10.152 4.624 ( -5.317 -0.000 4.960) 7.271 4.795 ( 4.731 0.000 -2.536) 5.368 4.880 ( 2.786 0.000 -10.751) 11.106 4.957 ( 5.289 0.000 -7.793) 9.418 5.180 ( -1.542 -0.000 -7.378) 7.537 5.358 ( -6.683 -0.000 -1.843) 6.933 5.754 ( -0.753 -0.000 -6.640) 6.683 5.783 ( -9.154 -0.000 17.998) 20.192 5.887 ( -8.952 -0.000 -9.078) 12.749 6.092 ( -13.791 -0.000 -5.665) 14.909 6.240 ( -9.836 -0.000 -0.383) 9.843 6.437 ( -0.477 -0.000 5.978) 5.998 6.835 ( -33.412 -0.000 -3.936) 33.643 7.066 ( -21.196 -0.000 -16.535) 26.883 7.209 ( -2.103 -0.000 9.448) 9.679 7.501 ( -23.935 -0.000 0.255) 23.936 7.664 ( 20.540 0.000 9.733) 22.729 7.760 ( -1.807 -0.000 8.556) 8.744 7.772 ( -30.336 -0.000 -2.581) 30.446 8.138 ( -4.859 -0.000 -0.363) 4.872 8.217 ( -4.596 -0.000 -0.910) 4.686 8.348 ( -2.601 -0.000 16.558) 16.761 8.500 ( 9.317 0.000 -8.492) 12.606 8.642 ( 15.855 0.000 -4.380) 16.448 8.821 ( 31.406 0.000 4.900) 31.786 8.899 ( 31.185 0.000 3.982) 31.438 9.263 ( 15.212 0.000 -9.680) 18.030 9.416 ( 18.884 0.000 5.652) 19.711 11.343 ( 1.620 0.000 0.362) 1.660 11.435 ( 7.083 0.000 1.368) 7.214 11.871 ( 1.034 0.000 4.817) 4.926 11.926 ( -1.839 -0.000 5.893) 6.173 12.012 ( 5.146 0.000 -5.835) 7.780 12.107 ( 6.981 0.000 -5.258) 8.739 12.897 ( -1.648 -0.000 -0.669) 1.778 13.119 ( 11.229 0.000 -5.245) 12.393 13.482 ( -9.667 -0.000 -5.357) 11.052 13.704 ( 8.421 0.000 3.645) 9.176 13.874 ( -2.488 -0.000 -2.408) 3.463 13.920 ( 2.225 0.000 2.908) 3.662 14.075 ( -2.189 -0.000 2.842) 3.587 14.121 ( -1.429 -0.000 2.145) 2.578 14.134 ( -0.121 -0.000 -2.525) 2.528 14.172 ( 0.349 0.000 -1.407) 1.450 16.764 ( -2.716 -0.000 -1.528) 3.117 16.848 ( 3.872 0.000 2.596) 4.662 16.949 ( -0.330 -0.000 4.433) 4.445 17.018 ( -0.413 -0.000 -8.389) 8.399 17.223 ( -4.408 -0.000 -3.104) 5.391 17.245 ( -1.244 -0.000 6.253) 6.375 17.351 ( 3.473 0.000 -2.129) 4.074 17.352 ( 5.907 0.000 2.953) 6.604 17.421 ( -2.803 -0.000 -3.311) 4.339 17.524 ( 4.985 0.000 -1.714) 5.271 17.714 ( 0.518 0.000 1.365) 1.460 17.757 ( 3.934 0.000 -1.139) 4.095 17.982 ( 1.705 0.000 1.033) 1.993 18.016 ( 1.095 0.000 1.629) 1.963 18.122 ( 7.984 0.000 0.327) 7.991 18.144 ( 9.504 0.000 -1.468) 9.617 19.364 ( -3.353 -0.000 -8.801) 9.418 19.420 ( 4.432 0.000 4.853) 6.572 19.766 ( -3.149 -0.000 5.693) 6.505 19.845 ( 1.448 0.000 9.828) 9.934 19.933 ( -0.188 -0.000 -5.206) 5.210 19.997 ( 1.589 0.000 -8.513) 8.660 20.188 ( -1.814 -0.000 8.708) 8.895 20.313 ( 0.200 0.000 -7.061) 7.064 ======================= Grid point 181 (96/100) ======================= q-point: (-0.29 -0.43 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.609 ( -32.028 5.821 7.339) 33.369 3.893 ( -39.333 1.118 14.814) 42.045 4.035 ( -11.182 20.117 -0.790) 23.030 4.311 ( -2.573 20.193 -2.206) 20.475 4.545 ( -13.761 -2.507 -3.438) 14.404 4.670 ( -8.374 14.222 -11.464) 20.094 4.728 ( -14.630 7.962 -4.576) 17.273 4.859 ( -12.705 2.135 -3.455) 13.338 5.134 ( -11.616 -8.266 -5.133) 15.153 5.316 ( -3.566 -15.356 -5.684) 16.758 5.365 ( -12.200 21.063 -4.306) 24.719 5.741 ( -16.791 -1.154 4.792) 17.500 5.837 ( -7.013 -5.293 -3.567) 9.483 5.872 ( -2.737 -1.895 6.425) 7.236 6.048 ( -19.747 5.490 -7.610) 21.863 6.387 ( -3.365 2.140 -0.335) 4.002 6.478 ( -19.522 -9.132 0.775) 21.566 6.684 ( -17.921 1.275 -12.579) 21.932 6.852 ( -25.301 11.568 4.050) 28.114 7.184 ( -17.636 10.466 -5.236) 21.165 7.359 ( -16.549 -7.700 5.095) 18.951 7.684 ( -5.097 18.348 9.509) 21.285 7.802 ( 0.693 3.016 -0.652) 3.163 7.973 ( 12.080 7.732 0.769) 14.363 8.137 ( -5.166 7.544 11.861) 14.976 8.515 ( 5.986 -4.670 7.969) 11.006 8.625 ( 12.970 2.528 -9.089) 16.038 9.007 ( 19.917 1.887 10.105) 22.414 9.062 ( 23.925 2.662 -8.345) 25.478 9.439 ( 33.446 1.945 5.013) 33.875 9.741 ( 23.752 -18.369 -1.721) 30.076 9.957 ( 17.767 -23.643 6.968) 30.385 11.449 ( 6.663 -4.552 1.339) 8.180 11.592 ( 6.251 -5.798 2.866) 8.995 11.903 ( 3.825 4.705 3.177) 6.846 11.952 ( 0.227 -4.146 4.305) 5.981 12.149 ( 5.306 -8.866 -3.833) 11.020 12.260 ( 9.953 -5.715 -3.802) 12.090 12.935 ( 2.609 -5.088 -2.028) 6.067 13.253 ( 6.942 0.533 -3.826) 7.945 13.325 ( -4.905 -1.427 -7.210) 8.836 13.788 ( 3.866 2.999 -0.269) 4.900 13.825 ( -1.775 0.669 -2.506) 3.143 13.956 ( 1.685 0.607 2.297) 2.912 14.039 ( -2.723 1.594 2.533) 4.046 14.091 ( -2.380 1.869 -0.381) 3.050 14.130 ( 0.739 -0.564 0.735) 1.185 14.175 ( 0.064 -0.785 -0.220) 0.818 16.738 ( -0.957 -1.105 -1.052) 1.801 16.866 ( 0.207 2.828 -2.564) 3.823 16.961 ( 0.258 1.501 4.244) 4.509 16.999 ( 0.354 -3.803 -5.900) 7.029 17.168 ( -3.187 -1.671 -0.040) 3.599 17.253 ( -2.138 -0.427 5.978) 6.364 17.346 ( -2.705 1.390 -3.807) 4.872 17.425 ( 3.667 0.325 0.773) 3.761 17.466 ( 4.559 -3.713 0.668) 5.917 17.605 ( 8.541 -0.200 -2.195) 8.821 17.744 ( 2.714 -1.200 1.089) 3.161 17.841 ( 6.174 -1.776 -0.552) 6.448 18.052 ( 6.175 -1.879 0.579) 6.480 18.142 ( 4.942 -6.645 1.628) 8.439 18.263 ( 9.836 -0.495 -0.598) 9.866 18.324 ( 9.790 -4.612 -0.292) 10.826 19.285 ( -2.208 -0.295 -7.555) 7.877 19.478 ( 0.716 0.654 1.593) 1.865 19.729 ( -0.945 1.351 0.406) 1.699 19.853 ( 0.577 3.985 4.396) 5.961 19.956 ( 1.343 -2.096 3.714) 4.471 20.024 ( 1.911 -2.215 -2.285) 3.712 20.203 ( -1.320 0.030 5.784) 5.933 20.265 ( -0.742 1.290 -6.062) 6.242 ======================= Grid point 182 (97/100) ======================= q-point: (-0.14 -0.43 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.168 ( -27.875 3.143 15.044) 31.831 3.344 ( -35.907 -2.372 6.107) 36.500 3.666 ( -6.054 12.670 1.172) 14.091 3.933 ( -8.602 20.890 -1.225) 22.625 4.195 ( -5.451 11.292 -7.772) 14.752 4.300 ( -13.939 14.836 2.416) 20.500 4.352 ( -12.569 7.460 -2.719) 14.867 4.686 ( -10.070 -3.853 -7.989) 13.419 4.915 ( -8.267 5.073 -1.663) 9.840 5.058 ( -9.846 5.305 -12.726) 16.942 5.333 ( -8.405 -3.727 -10.454) 13.921 5.549 ( -5.958 3.471 -4.170) 8.058 5.737 ( -24.365 -14.961 18.331) 33.964 5.801 ( -13.310 -0.426 4.000) 13.904 5.914 ( -0.665 -8.233 1.611) 8.415 6.195 ( -14.754 8.714 8.438) 19.100 6.277 ( -3.388 3.535 0.869) 4.972 6.534 ( -2.391 -10.968 -12.314) 16.663 6.770 ( -15.176 -25.560 -3.123) 29.890 6.834 ( -8.299 5.736 -11.068) 14.976 7.230 ( -8.625 9.003 -0.310) 12.472 7.418 ( -10.703 -1.099 8.362) 13.626 7.761 ( 5.882 12.897 6.120) 15.440 7.958 ( -8.820 2.087 11.019) 14.268 8.080 ( -0.051 -1.519 -1.329) 2.019 8.642 ( 21.027 16.264 -6.292) 27.318 8.690 ( -1.370 -7.340 -10.179) 12.624 9.182 ( 24.721 19.022 11.245) 33.158 9.362 ( 7.164 -9.131 -4.761) 12.544 9.792 ( 23.667 7.920 0.121) 24.957 10.275 ( 17.672 -10.113 4.061) 20.762 10.479 ( 12.676 -12.930 4.866) 18.750 11.636 ( 7.855 -4.725 2.223) 9.432 11.765 ( 0.548 -7.754 3.431) 8.497 11.922 ( 7.762 6.041 2.092) 10.055 12.065 ( 1.305 -6.828 6.081) 9.236 12.304 ( 2.247 -5.722 -1.215) 6.266 12.446 ( 7.455 -2.904 -4.152) 9.014 13.047 ( 1.527 -4.459 -5.282) 7.079 13.188 ( -3.003 -1.953 0.713) 3.653 13.430 ( 9.234 -2.618 -4.988) 10.817 13.721 ( -0.830 6.908 -2.808) 7.503 13.780 ( -0.722 1.877 -2.663) 3.337 13.973 ( 0.743 0.835 0.532) 1.238 13.990 ( -1.827 1.131 1.990) 2.928 14.015 ( -3.265 2.332 0.406) 4.033 14.158 ( 0.746 -0.455 0.827) 1.203 14.196 ( 0.586 -1.376 0.371) 1.541 16.757 ( 0.885 -1.975 -0.837) 2.321 16.798 ( -1.593 2.115 -3.176) 4.135 16.930 ( -1.365 2.213 1.002) 2.787 17.064 ( 2.206 -3.057 -1.158) 3.943 17.170 ( -1.810 -2.523 0.383) 3.129 17.261 ( -2.496 -1.208 4.386) 5.189 17.266 ( -2.086 1.352 -2.833) 3.768 17.428 ( -0.475 0.869 0.702) 1.214 17.604 ( 6.317 -2.256 -0.196) 6.711 17.718 ( 6.322 -0.530 -0.917) 6.410 17.832 ( 5.267 -0.788 1.347) 5.493 17.958 ( 6.064 -1.612 -0.563) 6.300 18.180 ( 4.998 -2.791 0.540) 5.750 18.296 ( 4.012 -3.569 0.863) 5.439 18.372 ( 6.053 1.127 -1.119) 6.258 18.507 ( 7.057 -2.800 0.189) 7.595 19.247 ( 0.222 -0.121 -3.197) 3.207 19.422 ( -2.310 3.892 -2.241) 5.050 19.733 ( 0.768 -1.487 -0.419) 1.725 19.847 ( 0.334 1.205 4.805) 4.965 20.022 ( 2.213 -1.678 1.622) 3.217 20.068 ( 1.267 -1.058 0.351) 1.688 20.167 ( -1.911 2.750 -1.994) 3.897 20.242 ( -0.035 -0.765 0.641) 0.999 ======================= Grid point 188 (98/100) ======================= q-point: (-0.29 -0.29 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.165 ( -35.782 -0.000 12.051) 37.757 3.484 ( -39.821 -0.000 31.136) 50.548 4.075 ( -14.774 -0.000 -0.971) 14.805 4.148 ( -11.208 -0.000 -5.377) 12.431 4.428 ( -2.406 -0.000 -12.009) 12.247 4.604 ( -15.847 -0.000 -6.954) 17.306 4.613 ( -22.038 -0.000 -2.559) 22.186 4.783 ( -16.946 -0.000 3.121) 17.231 4.800 ( -10.517 -0.000 0.424) 10.526 4.899 ( -6.948 -0.000 -3.930) 7.983 5.252 ( -31.713 -0.000 18.622) 36.777 5.333 ( -22.711 -0.000 -2.557) 22.854 5.662 ( -33.047 -0.000 -6.133) 33.611 5.772 ( 0.541 0.000 -7.173) 7.194 5.820 ( -7.156 -0.000 -1.184) 7.253 6.274 ( 7.837 0.000 -11.719) 14.098 6.284 ( -14.842 -0.000 2.740) 15.093 6.381 ( -12.285 -0.000 -11.302) 16.693 6.760 ( -24.677 -0.000 6.108) 25.422 6.800 ( -25.454 -0.000 1.696) 25.510 6.923 ( -22.983 -0.000 -5.439) 23.618 7.509 ( -17.650 -0.000 -22.229) 28.384 7.828 ( -4.081 -0.000 1.983) 4.538 8.138 ( -7.211 -0.000 14.275) 15.993 8.201 ( -0.257 -0.000 -5.699) 5.704 8.388 ( 4.788 0.000 6.870) 8.374 9.035 ( 17.943 0.000 3.813) 18.344 9.193 ( 21.034 0.000 -13.249) 24.859 9.769 ( 23.123 0.000 10.734) 25.493 9.800 ( 26.167 0.000 3.243) 26.367 10.111 ( 28.403 0.000 10.522) 30.289 10.150 ( 37.276 0.000 4.078) 37.499 11.568 ( 11.219 0.000 3.563) 11.771 11.654 ( 5.567 0.000 2.989) 6.319 11.940 ( 1.478 0.000 2.038) 2.517 12.123 ( 11.696 0.000 8.239) 14.306 12.150 ( 9.679 0.000 -5.684) 11.224 12.364 ( 11.671 0.000 -2.297) 11.895 12.937 ( 3.856 0.000 -2.811) 4.771 13.181 ( -4.475 -0.000 -3.185) 5.493 13.389 ( 9.774 0.000 -5.092) 11.021 13.794 ( -1.420 -0.000 -1.849) 2.331 13.847 ( 0.936 0.000 -1.414) 1.696 13.986 ( 0.465 0.000 1.726) 1.788 14.024 ( -2.526 -0.000 1.872) 3.144 14.072 ( -2.477 -0.000 -1.935) 3.144 14.136 ( 1.342 0.000 0.837) 1.582 14.157 ( -1.147 -0.000 -0.468) 1.239 16.721 ( 0.394 0.000 -0.404) 0.564 16.886 ( -1.256 -0.000 -1.497) 1.955 16.908 ( -0.205 -0.000 -7.932) 7.934 17.039 ( 2.993 0.000 5.171) 5.975 17.105 ( -3.088 -0.000 1.004) 3.247 17.237 ( -3.516 -0.000 6.078) 7.021 17.286 ( -3.236 -0.000 -4.678) 5.688 17.442 ( -2.550 -0.000 2.237) 3.392 17.564 ( 10.783 0.000 0.350) 10.789 17.729 ( 8.414 0.000 -1.769) 8.598 17.821 ( 9.067 0.000 0.980) 9.120 17.930 ( 7.707 0.000 -0.917) 7.761 18.176 ( 7.711 0.000 2.634) 8.149 18.189 ( 10.160 0.000 -0.478) 10.172 18.404 ( 7.994 0.000 -2.078) 8.260 18.455 ( 12.813 0.000 0.792) 12.837 19.246 ( 1.740 0.000 -5.960) 6.209 19.492 ( -0.854 -0.000 0.245) 0.889 19.699 ( -1.950 -0.000 -3.076) 3.642 19.882 ( -2.949 -0.000 4.694) 5.543 19.998 ( 2.836 0.000 4.183) 5.054 20.040 ( 2.600 0.000 1.231) 2.877 20.212 ( -0.853 -0.000 4.043) 4.132 20.229 ( -1.317 -0.000 -6.167) 6.306 ======================= Grid point 189 (99/100) ======================= q-point: (-0.14 -0.29 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.838 ( -24.541 -5.777 23.534) 34.489 3.000 ( -34.369 9.770 34.263) 49.504 3.765 ( -5.367 10.818 2.239) 12.282 4.064 ( -15.008 15.501 -0.396) 21.579 4.105 ( -10.050 -2.596 -3.069) 10.825 4.276 ( -13.909 9.436 -3.664) 17.202 4.360 ( 4.017 2.419 -6.991) 8.418 4.557 ( -6.616 9.115 -1.251) 11.332 4.655 ( -16.413 -7.548 1.972) 18.172 4.821 ( -24.689 -12.909 10.545) 29.789 4.974 ( -19.980 -5.362 3.618) 21.001 5.149 ( -27.023 -6.510 1.800) 27.855 5.342 ( -6.204 -16.827 -2.599) 18.122 5.578 ( -14.950 -1.310 2.234) 15.172 5.907 ( -5.461 -12.917 -4.748) 14.806 6.039 ( -13.525 -4.146 4.528) 14.853 6.166 ( -19.681 9.932 2.612) 22.199 6.228 ( -8.427 -3.590 -6.670) 11.331 6.472 ( 6.724 -9.358 -11.920) 16.580 6.670 ( -3.764 2.006 -7.980) 9.048 6.784 ( -22.367 -22.376 0.367) 31.640 7.188 ( -19.743 -4.674 -20.808) 29.062 7.667 ( -10.322 2.161 -10.772) 15.074 7.939 ( -16.016 7.547 13.940) 22.534 8.161 ( 0.466 3.694 -6.889) 7.830 8.476 ( -2.258 -4.034 -2.472) 5.242 9.162 ( 14.872 12.255 -4.530) 19.796 9.369 ( 9.305 0.263 -10.644) 14.140 9.952 ( 24.098 15.720 7.256) 29.673 10.183 ( 13.725 -0.184 4.029) 14.306 10.514 ( 28.770 6.052 2.033) 29.470 10.734 ( 25.215 -4.226 11.851) 28.179 11.741 ( 6.174 -0.395 3.727) 7.223 11.777 ( 8.898 -1.859 6.103) 10.949 12.037 ( 5.447 -4.323 3.257) 7.679 12.192 ( 12.116 8.490 -0.845) 14.819 12.383 ( 10.893 -1.234 7.359) 13.204 12.524 ( 9.267 -0.452 -2.317) 9.563 12.985 ( 2.043 -3.345 -5.550) 6.794 13.192 ( 4.364 -0.379 4.067) 5.977 13.492 ( 5.488 -1.432 -2.781) 6.317 13.765 ( -0.418 1.300 -1.540) 2.058 13.805 ( -0.222 4.145 -2.790) 5.001 13.978 ( -2.637 0.981 0.734) 2.908 13.992 ( -0.155 0.734 -0.019) 0.751 14.002 ( -3.213 2.254 -0.240) 3.932 14.139 ( -1.818 -1.142 -0.502) 2.205 14.176 ( 0.977 -2.183 -1.893) 3.050 16.749 ( 2.010 -1.266 0.327) 2.398 16.816 ( -0.005 3.338 -2.361) 4.089 16.916 ( -0.378 -1.457 -2.734) 3.121 17.067 ( 0.464 -0.611 1.356) 1.558 17.115 ( -1.040 -1.610 2.048) 2.805 17.216 ( -3.772 -0.391 2.295) 4.433 17.229 ( -2.013 -1.147 -0.261) 2.331 17.400 ( -4.134 -0.269 0.986) 4.259 17.725 ( 10.481 1.016 0.771) 10.558 17.829 ( 7.843 0.849 -1.014) 7.954 17.947 ( 8.034 2.553 0.783) 8.466 18.044 ( 7.228 -0.844 -0.810) 7.322 18.281 ( 8.177 2.298 1.403) 8.609 18.352 ( 7.985 -1.218 0.069) 8.077 18.479 ( 5.251 1.263 -1.173) 5.527 18.621 ( 9.575 1.020 -0.048) 9.629 19.271 ( 4.682 0.499 -3.036) 5.602 19.444 ( -1.380 3.338 -0.705) 3.681 19.681 ( -1.358 -2.549 -2.970) 4.143 19.845 ( -4.412 0.141 4.085) 6.014 20.054 ( 2.537 -0.379 1.503) 2.973 20.084 ( 1.609 -0.405 1.399) 2.170 20.165 ( -1.369 1.965 -3.695) 4.403 20.225 ( -0.783 -1.194 0.826) 1.650 ======================= Grid point 196 (100/100) ======================= q-point: (-0.14 -0.14 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.673 ( -11.323 -0.000 38.137) 39.782 2.832 ( -25.745 -0.000 43.421) 50.480 3.814 ( -3.320 -0.000 0.986) 3.463 3.897 ( -0.743 -0.000 -10.411) 10.437 4.036 ( -15.737 -0.000 4.345) 16.326 4.074 ( -15.056 -0.000 2.578) 15.275 4.289 ( -1.011 -0.000 -22.290) 22.313 4.301 ( -26.257 -0.000 29.818) 39.731 4.442 ( -7.877 -0.000 3.710) 8.707 4.651 ( -28.304 -0.000 -0.415) 28.307 4.670 ( -14.773 -0.000 -5.157) 15.648 4.877 ( 3.719 0.000 17.362) 17.756 5.122 ( 0.762 0.000 8.079) 8.115 5.416 ( -17.954 -0.000 -6.405) 19.063 5.431 ( -13.971 -0.000 7.049) 15.648 5.961 ( -4.338 -0.000 -7.317) 8.507 6.027 ( -15.913 -0.000 -5.020) 16.686 6.121 ( -8.642 -0.000 3.073) 9.172 6.123 ( -21.002 -0.000 3.897) 21.361 6.443 ( 6.541 0.000 -3.219) 7.290 6.736 ( -14.202 -0.000 -38.957) 41.465 6.837 ( 16.578 0.000 -9.683) 19.199 7.486 ( -16.267 -0.000 -4.846) 16.974 7.835 ( -19.333 -0.000 2.518) 19.497 7.934 ( -7.748 -0.000 -22.859) 24.136 8.389 ( -10.670 -0.000 -5.028) 11.795 9.369 ( 5.068 0.000 1.100) 5.186 9.454 ( 4.091 0.000 -3.428) 5.337 10.326 ( 14.659 0.000 -0.292) 14.662 10.399 ( 14.889 0.000 -3.392) 15.271 11.041 ( 19.051 0.000 5.381) 19.796 11.047 ( 22.364 0.000 10.889) 24.875 11.841 ( 5.308 0.000 5.851) 7.900 11.937 ( 8.346 0.000 7.089) 10.950 12.170 ( 13.680 0.000 3.846) 14.211 12.415 ( 10.362 0.000 -1.995) 10.553 12.575 ( 10.064 0.000 8.687) 13.295 12.656 ( 8.670 0.000 -2.138) 8.929 12.998 ( 7.458 0.000 -3.437) 8.212 13.322 ( 8.049 0.000 9.063) 12.121 13.511 ( -0.546 -0.000 -0.249) 0.600 13.767 ( 0.379 0.000 -0.685) 0.783 13.816 ( -0.879 -0.000 -1.487) 1.727 13.948 ( -2.551 -0.000 -0.992) 2.737 13.974 ( -3.330 -0.000 -0.202) 3.336 13.988 ( -0.720 -0.000 -0.999) 1.231 14.084 ( -3.415 -0.000 -0.960) 3.547 14.151 ( 0.433 0.000 -6.262) 6.276 16.784 ( 3.331 0.000 0.752) 3.414 16.838 ( -0.855 -0.000 -0.155) 0.868 16.902 ( 3.841 0.000 -3.019) 4.886 17.048 ( -1.709 -0.000 1.421) 2.223 17.112 ( -1.991 -0.000 2.877) 3.499 17.184 ( -1.454 -0.000 -1.298) 1.949 17.185 ( -1.665 -0.000 2.961) 3.397 17.326 ( -5.956 -0.000 0.251) 5.961 17.904 ( 11.049 0.000 0.974) 11.092 17.936 ( 7.032 0.000 -0.884) 7.087 18.103 ( 7.223 0.000 0.939) 7.283 18.109 ( 4.314 0.000 -0.590) 4.354 18.427 ( 6.141 0.000 2.683) 6.702 18.464 ( 8.448 0.000 -2.243) 8.741 18.547 ( 4.300 0.000 0.342) 4.314 18.752 ( 6.400 0.000 -1.445) 6.561 19.349 ( 6.529 0.000 -2.269) 6.912 19.452 ( -1.182 -0.000 1.463) 1.881 19.634 ( 0.255 0.000 -4.373) 4.380 19.783 ( -6.244 -0.000 3.066) 6.956 20.085 ( 1.461 0.000 0.352) 1.502 20.107 ( 1.033 0.000 1.002) 1.439 20.144 ( -0.876 -0.000 -3.750) 3.851 20.200 ( -1.666 -0.000 0.371) 1.707 =================== 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 3/24696 10.0 63197.098 66037.222 72957.832 -0.000 4810.681 0.000 3/24696 20.0 12525.096 12787.892 13172.157 -0.000 918.241 0.000 3/24696 30.0 4307.207 4305.339 4068.850 -0.000 341.915 0.000 3/24696 40.0 2285.164 2257.959 1978.766 -0.000 149.023 0.000 3/24696 50.0 1467.888 1438.768 1202.111 -0.000 77.558 0.000 3/24696 60.0 1036.972 1010.727 821.228 -0.000 47.390 0.000 3/24696 70.0 775.282 752.744 602.364 -0.000 32.761 0.000 3/24696 80.0 603.035 583.969 463.570 -0.000 24.659 0.000 3/24696 90.0 483.544 467.446 369.491 -0.000 19.632 0.000 3/24696 100.0 397.396 383.744 302.587 -0.000 16.229 0.000 3/24696 110.0 333.369 321.701 253.245 -0.000 13.771 0.000 3/24696 120.0 284.573 274.508 215.796 -0.000 11.914 0.000 3/24696 130.0 246.582 237.813 186.702 -0.000 10.463 0.000 3/24696 140.0 216.451 208.735 163.653 -0.000 9.300 0.000 3/24696 150.0 192.160 185.305 145.081 -0.000 8.351 0.000 3/24696 160.0 172.291 166.145 129.897 -0.000 7.564 0.000 3/24696 170.0 155.825 150.270 117.319 -0.000 6.903 0.000 3/24696 180.0 142.018 136.959 106.777 -0.000 6.340 0.000 3/24696 190.0 130.316 125.678 97.848 -0.000 5.858 0.000 3/24696 200.0 120.302 116.023 90.212 -0.000 5.440 0.000 3/24696 210.0 111.656 107.686 83.625 -0.000 5.076 0.000 3/24696 220.0 104.130 100.429 77.896 -0.000 4.756 0.000 3/24696 230.0 97.530 94.065 72.878 -0.000 4.472 0.000 3/24696 240.0 91.704 88.446 68.451 -0.000 4.220 0.000 3/24696 250.0 86.528 83.454 64.523 -0.000 3.995 0.000 3/24696 260.0 81.902 78.992 61.016 -0.000 3.792 0.000 3/24696 270.0 77.746 74.984 57.869 -0.000 3.608 0.000 3/24696 280.0 73.995 71.365 55.030 -0.000 3.442 0.000 3/24696 290.0 70.593 68.083 52.459 -0.000 3.290 0.000 3/24696 300.0 67.494 65.093 50.119 -0.000 3.151 0.000 3/24696 310.0 64.660 62.360 47.982 -0.000 3.024 0.000 3/24696 320.0 62.060 59.851 46.023 -0.000 2.906 0.000 3/24696 330.0 59.666 57.541 44.221 -0.000 2.798 0.000 3/24696 340.0 57.454 55.407 42.557 -0.000 2.697 0.000 3/24696 350.0 55.405 53.430 41.017 -0.000 2.604 0.000 3/24696 360.0 53.501 51.593 39.588 -0.000 2.517 0.000 3/24696 370.0 51.727 49.882 38.258 -0.000 2.435 0.000 3/24696 380.0 50.071 48.284 37.016 -0.000 2.359 0.000 3/24696 390.0 48.521 46.789 35.856 -0.000 2.288 0.000 3/24696 400.0 47.068 45.386 34.768 -0.000 2.221 0.000 3/24696 410.0 45.701 44.068 33.746 -0.000 2.158 0.000 3/24696 420.0 44.415 42.827 32.784 -0.000 2.098 0.000 3/24696 430.0 43.201 41.656 31.878 -0.000 2.042 0.000 3/24696 440.0 42.054 40.550 31.022 -0.000 1.989 0.000 3/24696 450.0 40.969 39.503 30.213 -0.000 1.939 0.000 3/24696 460.0 39.940 38.510 29.446 -0.000 1.891 0.000 3/24696 470.0 38.963 37.568 28.718 -0.000 1.845 0.000 3/24696 480.0 38.035 36.673 28.027 -0.000 1.802 0.000 3/24696 490.0 37.151 35.820 27.369 -0.000 1.761 0.000 3/24696 500.0 36.309 35.008 26.743 -0.000 1.721 0.000 3/24696 510.0 35.505 34.232 26.145 -0.000 1.684 0.000 3/24696 520.0 34.738 33.492 25.575 -0.000 1.648 0.000 3/24696 530.0 34.004 32.784 25.029 -0.000 1.613 0.000 3/24696 540.0 33.301 32.106 24.508 -0.000 1.580 0.000 3/24696 550.0 32.628 31.457 24.008 -0.000 1.549 0.000 3/24696 560.0 31.982 30.834 23.529 -0.000 1.519 0.000 3/24696 570.0 31.362 30.236 23.069 -0.000 1.489 0.000 3/24696 580.0 30.766 29.661 22.627 -0.000 1.461 0.000 3/24696 590.0 30.194 29.109 22.203 -0.000 1.435 0.000 3/24696 600.0 29.642 28.577 21.795 -0.000 1.409 0.000 3/24696 610.0 29.112 28.065 21.402 -0.000 1.384 0.000 3/24696 620.0 28.600 27.572 21.023 -0.000 1.360 0.000 3/24696 630.0 28.107 27.096 20.658 -0.000 1.336 0.000 3/24696 640.0 27.630 26.637 20.305 -0.000 1.314 0.000 3/24696 650.0 27.170 26.193 19.965 -0.000 1.292 0.000 3/24696 660.0 26.726 25.765 19.636 -0.000 1.271 0.000 3/24696 670.0 26.296 25.350 19.319 -0.000 1.251 0.000 3/24696 680.0 25.880 24.949 19.011 -0.000 1.231 0.000 3/24696 690.0 25.478 24.561 18.714 -0.000 1.212 0.000 3/24696 700.0 25.088 24.185 18.426 -0.000 1.194 0.000 3/24696 710.0 24.710 23.821 18.147 -0.000 1.176 0.000 3/24696 720.0 24.344 23.468 17.876 -0.000 1.159 0.000 3/24696 730.0 23.989 23.125 17.614 -0.000 1.142 0.000 3/24696 740.0 23.644 22.792 17.359 -0.000 1.126 0.000 3/24696 750.0 23.309 22.469 17.112 -0.000 1.110 0.000 3/24696 760.0 22.984 22.156 16.872 -0.000 1.094 0.000 3/24696 770.0 22.667 21.851 16.639 -0.000 1.079 0.000 3/24696 780.0 22.360 21.554 16.412 -0.000 1.065 0.000 3/24696 790.0 22.061 21.266 16.192 -0.000 1.051 0.000 3/24696 800.0 21.770 20.986 15.977 -0.000 1.037 0.000 3/24696 810.0 21.487 20.713 15.768 -0.000 1.023 0.000 3/24696 820.0 21.211 20.447 15.565 -0.000 1.010 0.000 3/24696 830.0 20.942 20.188 15.367 -0.000 0.998 0.000 3/24696 840.0 20.681 19.935 15.174 -0.000 0.985 0.000 3/24696 850.0 20.425 19.689 14.986 -0.000 0.973 0.000 3/24696 860.0 20.177 19.449 14.803 -0.000 0.961 0.000 3/24696 870.0 19.934 19.215 14.624 -0.000 0.950 0.000 3/24696 880.0 19.697 18.987 14.450 -0.000 0.939 0.000 3/24696 890.0 19.466 18.764 14.279 -0.000 0.928 0.000 3/24696 900.0 19.240 18.546 14.113 -0.000 0.917 0.000 3/24696 910.0 19.019 18.334 13.951 -0.000 0.906 0.000 3/24696 920.0 18.804 18.126 13.792 -0.000 0.896 0.000 3/24696 930.0 18.594 17.923 13.637 -0.000 0.886 0.000 3/24696 940.0 18.388 17.725 13.486 -0.000 0.876 0.000 3/24696 950.0 18.187 17.531 13.338 -0.000 0.867 0.000 3/24696 960.0 17.990 17.341 13.193 -0.000 0.858 0.000 3/24696 970.0 17.797 17.155 13.051 -0.000 0.848 0.000 3/24696 980.0 17.609 16.974 12.913 -0.000 0.839 0.000 3/24696 990.0 17.425 16.796 12.777 -0.000 0.831 0.000 3/24696 1000.0 17.244 16.622 12.644 -0.000 0.822 0.000 3/24696 Thermal conductivity related properties were written into "kappa-m777.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 06:05:26]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|