----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 10:11:33]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) Number of symmetry operations in supercell: 16 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 8.403610160682597 0.000000000000000 0.000000000000000 b 0.000000000000000 7.428408640000002 0.000000000000000 c -8.277203689050983 0.000000000000000 13.730764532255860 Atomic positions (fractional): *1 Hf 0.33947096533156 0.85727480633498 0.41371493502445 178.490 2 Hf 0.66052903466844 0.35727480633498 0.08628506497555 178.490 3 Hf 0.66052903466844 0.14272519366502 0.58628506497555 178.490 4 Hf 0.33947096533156 0.64272519366502 0.91371493502445 178.490 *5 As 0.34107924638043 0.20793816812821 0.43077069258705 74.922 6 As 0.65892075361957 0.70793816812821 0.06922930741295 74.922 7 As 0.65892075361957 0.79206183187179 0.56922930741295 74.922 8 As 0.34107924638043 0.29206183187179 0.93077069258705 74.922 *9 As 0.05538950939125 0.74338344710326 0.41680920937957 74.922 10 As 0.94461049060875 0.24338344710326 0.08319079062043 74.922 11 As 0.94461049060875 0.25661655289674 0.58319079062043 74.922 12 As 0.05538950939125 0.75661655289674 0.91680920937957 74.922 *13 As 0.35422003466466 0.76158436359565 0.26475896428535 74.922 14 As 0.64577996533534 0.26158436359565 0.23524103571465 74.922 15 As 0.64577996533534 0.23841563640435 0.73524103571465 74.922 16 As 0.35422003466466 0.73841563640435 0.76475896428535 74.922 *17 Na 0.08168974493744 0.50811118298911 0.26189771613346 22.990 18 Na 0.91831025506256 0.00811118298911 0.23810228386654 22.990 19 Na 0.91831025506256 0.49188881701089 0.73810228386654 22.990 20 Na 0.08168974493744 0.99188881701089 0.76189771613346 22.990 *21 Na 0.73772911974736 0.98738912491393 0.40709313767470 22.990 22 Na 0.26227088025264 0.48738912491393 0.09290686232530 22.990 23 Na 0.26227088025264 0.01261087508607 0.59290686232530 22.990 24 Na 0.73772911974736 0.51261087508607 0.90709313767470 22.990 *25 Na 0.40268542689087 0.52791489929087 0.58399789950707 22.990 26 Na 0.59731457310913 0.02791489929087 0.91600210049293 22.990 27 Na 0.59731457310913 0.47208510070913 0.41600210049294 22.990 28 Na 0.40268542689087 0.97208510070913 0.08399789950707 22.990 *29 Na 0.32023238422052 0.15587739024523 0.24331633464217 22.990 30 Na 0.67976761577948 0.65587739024523 0.25668366535783 22.990 31 Na 0.67976761577948 0.84412260975477 0.75668366535783 22.990 32 Na 0.32023238422052 0.34412260975477 0.74331633464217 22.990 *33 Na 0.99629161511092 0.33605342294865 0.41868075077936 22.990 34 Na 0.00370838488908 0.83605342294865 0.08131924922064 22.990 35 Na 0.00370838488908 0.66394657705135 0.58131924922064 22.990 36 Na 0.99629161511092 0.16394657705135 0.91868075077936 22.990 -------------------------------- unit cell --------------------------------- Lattice vectors: a 8.403610160682597 0.000000000000000 0.000000000000000 b 0.000000000000000 7.428408640000002 0.000000000000000 c -8.277203689050983 0.000000000000000 13.730764532255860 Atomic positions (fractional): *1 Hf 0.33947096533156 0.85727480633498 0.41371493502445 178.490 > 1 2 Hf 0.66052903466844 0.35727480633498 0.08628506497555 178.490 > 2 3 Hf 0.66052903466844 0.14272519366502 0.58628506497555 178.490 > 3 4 Hf 0.33947096533156 0.64272519366502 0.91371493502445 178.490 > 4 *5 As 0.34107924638043 0.20793816812821 0.43077069258705 74.922 > 5 6 As 0.65892075361957 0.70793816812821 0.06922930741295 74.922 > 6 7 As 0.65892075361957 0.79206183187179 0.56922930741295 74.922 > 7 8 As 0.34107924638043 0.29206183187179 0.93077069258705 74.922 > 8 *9 As 0.05538950939125 0.74338344710326 0.41680920937957 74.922 > 9 10 As 0.94461049060875 0.24338344710326 0.08319079062043 74.922 > 10 11 As 0.94461049060875 0.25661655289674 0.58319079062043 74.922 > 11 12 As 0.05538950939125 0.75661655289674 0.91680920937957 74.922 > 12 *13 As 0.35422003466466 0.76158436359565 0.26475896428535 74.922 > 13 14 As 0.64577996533534 0.26158436359565 0.23524103571465 74.922 > 14 15 As 0.64577996533534 0.23841563640435 0.73524103571465 74.922 > 15 16 As 0.35422003466466 0.73841563640435 0.76475896428535 74.922 > 16 *17 Na 0.08168974493744 0.50811118298911 0.26189771613346 22.990 > 17 18 Na 0.91831025506256 0.00811118298911 0.23810228386654 22.990 > 18 19 Na 0.91831025506256 0.49188881701089 0.73810228386654 22.990 > 19 20 Na 0.08168974493744 0.99188881701089 0.76189771613346 22.990 > 20 *21 Na 0.73772911974736 0.98738912491393 0.40709313767470 22.990 > 21 22 Na 0.26227088025264 0.48738912491393 0.09290686232530 22.990 > 22 23 Na 0.26227088025264 0.01261087508607 0.59290686232530 22.990 > 23 24 Na 0.73772911974736 0.51261087508607 0.90709313767470 22.990 > 24 *25 Na 0.40268542689087 0.52791489929087 0.58399789950707 22.990 > 25 26 Na 0.59731457310913 0.02791489929087 0.91600210049293 22.990 > 26 27 Na 0.59731457310913 0.47208510070913 0.41600210049294 22.990 > 27 28 Na 0.40268542689087 0.97208510070913 0.08399789950707 22.990 > 28 *29 Na 0.32023238422052 0.15587739024523 0.24331633464217 22.990 > 29 30 Na 0.67976761577948 0.65587739024523 0.25668366535783 22.990 > 30 31 Na 0.67976761577948 0.84412260975477 0.75668366535783 22.990 > 31 32 Na 0.32023238422052 0.34412260975477 0.74331633464217 22.990 > 32 *33 Na 0.99629161511092 0.33605342294865 0.41868075077936 22.990 > 33 34 Na 0.00370838488908 0.83605342294865 0.08131924922064 22.990 > 34 35 Na 0.00370838488908 0.66394657705135 0.58131924922064 22.990 > 35 36 Na 0.99629161511092 0.16394657705135 0.91868075077936 22.990 > 36 -------------------------------- super cell -------------------------------- Lattice vectors: a 16.807220321365193 0.000000000000000 0.000000000000000 b 0.000000000000000 14.856817280000003 0.000000000000000 c -8.277203689050983 0.000000000000000 13.730764532255860 Atomic positions (fractional): *1 Hf 0.16973548266578 0.42863740316749 0.41371493502445 178.490 > 1 2 Hf 0.66973548266578 0.42863740316749 0.41371493502445 178.490 > 1 3 Hf 0.16973548266578 0.92863740316749 0.41371493502445 178.490 > 1 4 Hf 0.66973548266578 0.92863740316749 0.41371493502445 178.490 > 1 5 Hf 0.33026451733422 0.17863740316749 0.08628506497555 178.490 > 2 6 Hf 0.83026451733422 0.17863740316749 0.08628506497555 178.490 > 2 7 Hf 0.33026451733422 0.67863740316749 0.08628506497555 178.490 > 2 8 Hf 0.83026451733422 0.67863740316749 0.08628506497555 178.490 > 2 9 Hf 0.33026451733422 0.07136259683251 0.58628506497555 178.490 > 3 10 Hf 0.83026451733422 0.07136259683251 0.58628506497555 178.490 > 3 11 Hf 0.33026451733422 0.57136259683251 0.58628506497555 178.490 > 3 12 Hf 0.83026451733422 0.57136259683251 0.58628506497555 178.490 > 3 13 Hf 0.16973548266578 0.32136259683251 0.91371493502445 178.490 > 4 14 Hf 0.66973548266578 0.32136259683251 0.91371493502445 178.490 > 4 15 Hf 0.16973548266578 0.82136259683251 0.91371493502445 178.490 > 4 16 Hf 0.66973548266578 0.82136259683251 0.91371493502445 178.490 > 4 *17 As 0.17053962319021 0.10396908406411 0.43077069258705 74.922 > 5 18 As 0.67053962319021 0.10396908406411 0.43077069258705 74.922 > 5 19 As 0.17053962319021 0.60396908406411 0.43077069258705 74.922 > 5 20 As 0.67053962319021 0.60396908406411 0.43077069258705 74.922 > 5 21 As 0.32946037680979 0.35396908406411 0.06922930741295 74.922 > 6 22 As 0.82946037680979 0.35396908406411 0.06922930741295 74.922 > 6 23 As 0.32946037680979 0.85396908406411 0.06922930741295 74.922 > 6 24 As 0.82946037680979 0.85396908406411 0.06922930741295 74.922 > 6 25 As 0.32946037680979 0.39603091593589 0.56922930741295 74.922 > 7 26 As 0.82946037680979 0.39603091593589 0.56922930741295 74.922 > 7 27 As 0.32946037680979 0.89603091593589 0.56922930741295 74.922 > 7 28 As 0.82946037680979 0.89603091593589 0.56922930741295 74.922 > 7 29 As 0.17053962319021 0.14603091593589 0.93077069258705 74.922 > 8 30 As 0.67053962319021 0.14603091593589 0.93077069258705 74.922 > 8 31 As 0.17053962319021 0.64603091593589 0.93077069258705 74.922 > 8 32 As 0.67053962319021 0.64603091593589 0.93077069258705 74.922 > 8 *33 As 0.02769475469563 0.37169172355163 0.41680920937957 74.922 > 9 34 As 0.52769475469563 0.37169172355163 0.41680920937957 74.922 > 9 35 As 0.02769475469563 0.87169172355163 0.41680920937957 74.922 > 9 36 As 0.52769475469563 0.87169172355163 0.41680920937957 74.922 > 9 37 As 0.47230524530437 0.12169172355163 0.08319079062043 74.922 > 10 38 As 0.97230524530437 0.12169172355163 0.08319079062043 74.922 > 10 39 As 0.47230524530437 0.62169172355163 0.08319079062043 74.922 > 10 40 As 0.97230524530437 0.62169172355163 0.08319079062043 74.922 > 10 41 As 0.47230524530437 0.12830827644837 0.58319079062043 74.922 > 11 42 As 0.97230524530437 0.12830827644837 0.58319079062043 74.922 > 11 43 As 0.47230524530437 0.62830827644837 0.58319079062043 74.922 > 11 44 As 0.97230524530437 0.62830827644837 0.58319079062043 74.922 > 11 45 As 0.02769475469563 0.37830827644837 0.91680920937957 74.922 > 12 46 As 0.52769475469563 0.37830827644837 0.91680920937957 74.922 > 12 47 As 0.02769475469563 0.87830827644837 0.91680920937957 74.922 > 12 48 As 0.52769475469563 0.87830827644837 0.91680920937957 74.922 > 12 *49 As 0.17711001733233 0.38079218179782 0.26475896428535 74.922 > 13 50 As 0.67711001733233 0.38079218179782 0.26475896428535 74.922 > 13 51 As 0.17711001733233 0.88079218179782 0.26475896428535 74.922 > 13 52 As 0.67711001733233 0.88079218179782 0.26475896428535 74.922 > 13 53 As 0.32288998266767 0.13079218179782 0.23524103571465 74.922 > 14 54 As 0.82288998266767 0.13079218179782 0.23524103571465 74.922 > 14 55 As 0.32288998266767 0.63079218179782 0.23524103571465 74.922 > 14 56 As 0.82288998266767 0.63079218179782 0.23524103571465 74.922 > 14 57 As 0.32288998266767 0.11920781820218 0.73524103571465 74.922 > 15 58 As 0.82288998266767 0.11920781820218 0.73524103571465 74.922 > 15 59 As 0.32288998266767 0.61920781820218 0.73524103571465 74.922 > 15 60 As 0.82288998266767 0.61920781820218 0.73524103571465 74.922 > 15 61 As 0.17711001733233 0.36920781820218 0.76475896428535 74.922 > 16 62 As 0.67711001733233 0.36920781820218 0.76475896428535 74.922 > 16 63 As 0.17711001733233 0.86920781820218 0.76475896428535 74.922 > 16 64 As 0.67711001733233 0.86920781820218 0.76475896428535 74.922 > 16 *65 Na 0.04084487246872 0.25405559149456 0.26189771613346 22.990 > 17 66 Na 0.54084487246872 0.25405559149456 0.26189771613346 22.990 > 17 67 Na 0.04084487246872 0.75405559149456 0.26189771613346 22.990 > 17 68 Na 0.54084487246872 0.75405559149456 0.26189771613346 22.990 > 17 69 Na 0.45915512753128 0.00405559149456 0.23810228386654 22.990 > 18 70 Na 0.95915512753128 0.00405559149456 0.23810228386654 22.990 > 18 71 Na 0.45915512753128 0.50405559149456 0.23810228386654 22.990 > 18 72 Na 0.95915512753128 0.50405559149456 0.23810228386654 22.990 > 18 73 Na 0.45915512753128 0.24594440850544 0.73810228386654 22.990 > 19 74 Na 0.95915512753128 0.24594440850544 0.73810228386654 22.990 > 19 75 Na 0.45915512753128 0.74594440850544 0.73810228386654 22.990 > 19 76 Na 0.95915512753128 0.74594440850544 0.73810228386654 22.990 > 19 77 Na 0.04084487246872 0.49594440850544 0.76189771613346 22.990 > 20 78 Na 0.54084487246872 0.49594440850544 0.76189771613346 22.990 > 20 79 Na 0.04084487246872 0.99594440850544 0.76189771613346 22.990 > 20 80 Na 0.54084487246872 0.99594440850544 0.76189771613346 22.990 > 20 *81 Na 0.36886455987368 0.49369456245697 0.40709313767470 22.990 > 21 82 Na 0.86886455987368 0.49369456245697 0.40709313767470 22.990 > 21 83 Na 0.36886455987368 0.99369456245697 0.40709313767470 22.990 > 21 84 Na 0.86886455987368 0.99369456245697 0.40709313767470 22.990 > 21 85 Na 0.13113544012632 0.24369456245697 0.09290686232530 22.990 > 22 86 Na 0.63113544012632 0.24369456245697 0.09290686232530 22.990 > 22 87 Na 0.13113544012632 0.74369456245697 0.09290686232530 22.990 > 22 88 Na 0.63113544012632 0.74369456245697 0.09290686232530 22.990 > 22 89 Na 0.13113544012632 0.00630543754303 0.59290686232530 22.990 > 23 90 Na 0.63113544012632 0.00630543754303 0.59290686232530 22.990 > 23 91 Na 0.13113544012632 0.50630543754303 0.59290686232530 22.990 > 23 92 Na 0.63113544012632 0.50630543754303 0.59290686232530 22.990 > 23 93 Na 0.36886455987368 0.25630543754303 0.90709313767470 22.990 > 24 94 Na 0.86886455987368 0.25630543754303 0.90709313767470 22.990 > 24 95 Na 0.36886455987368 0.75630543754303 0.90709313767470 22.990 > 24 96 Na 0.86886455987368 0.75630543754303 0.90709313767470 22.990 > 24 *97 Na 0.20134271344544 0.26395744964543 0.58399789950707 22.990 > 25 98 Na 0.70134271344543 0.26395744964543 0.58399789950707 22.990 > 25 99 Na 0.20134271344544 0.76395744964543 0.58399789950707 22.990 > 25 100 Na 0.70134271344543 0.76395744964543 0.58399789950707 22.990 > 25 101 Na 0.29865728655457 0.01395744964543 0.91600210049293 22.990 > 26 102 Na 0.79865728655457 0.01395744964543 0.91600210049293 22.990 > 26 103 Na 0.29865728655457 0.51395744964543 0.91600210049293 22.990 > 26 104 Na 0.79865728655457 0.51395744964543 0.91600210049293 22.990 > 26 105 Na 0.29865728655457 0.23604255035457 0.41600210049294 22.990 > 27 106 Na 0.79865728655457 0.23604255035457 0.41600210049294 22.990 > 27 107 Na 0.29865728655457 0.73604255035457 0.41600210049294 22.990 > 27 108 Na 0.79865728655457 0.73604255035457 0.41600210049294 22.990 > 27 109 Na 0.20134271344544 0.48604255035457 0.08399789950707 22.990 > 28 110 Na 0.70134271344543 0.48604255035457 0.08399789950707 22.990 > 28 111 Na 0.20134271344544 0.98604255035457 0.08399789950707 22.990 > 28 112 Na 0.70134271344543 0.98604255035457 0.08399789950707 22.990 > 28 *113 Na 0.16011619211026 0.07793869512262 0.24331633464217 22.990 > 29 114 Na 0.66011619211026 0.07793869512262 0.24331633464217 22.990 > 29 115 Na 0.16011619211026 0.57793869512262 0.24331633464217 22.990 > 29 116 Na 0.66011619211026 0.57793869512262 0.24331633464217 22.990 > 29 117 Na 0.33988380788974 0.32793869512262 0.25668366535783 22.990 > 30 118 Na 0.83988380788974 0.32793869512262 0.25668366535783 22.990 > 30 119 Na 0.33988380788974 0.82793869512262 0.25668366535783 22.990 > 30 120 Na 0.83988380788974 0.82793869512262 0.25668366535783 22.990 > 30 121 Na 0.33988380788974 0.42206130487738 0.75668366535783 22.990 > 31 122 Na 0.83988380788974 0.42206130487738 0.75668366535783 22.990 > 31 123 Na 0.33988380788974 0.92206130487738 0.75668366535783 22.990 > 31 124 Na 0.83988380788974 0.92206130487738 0.75668366535783 22.990 > 31 125 Na 0.16011619211026 0.17206130487738 0.74331633464217 22.990 > 32 126 Na 0.66011619211026 0.17206130487738 0.74331633464217 22.990 > 32 127 Na 0.16011619211026 0.67206130487738 0.74331633464217 22.990 > 32 128 Na 0.66011619211026 0.67206130487738 0.74331633464217 22.990 > 32 *129 Na 0.49814580755546 0.16802671147433 0.41868075077936 22.990 > 33 130 Na 0.99814580755546 0.16802671147433 0.41868075077936 22.990 > 33 131 Na 0.49814580755546 0.66802671147433 0.41868075077936 22.990 > 33 132 Na 0.99814580755546 0.66802671147433 0.41868075077936 22.990 > 33 133 Na 0.00185419244454 0.41802671147433 0.08131924922064 22.990 > 34 134 Na 0.50185419244454 0.41802671147433 0.08131924922064 22.990 > 34 135 Na 0.00185419244454 0.91802671147433 0.08131924922064 22.990 > 34 136 Na 0.50185419244454 0.91802671147433 0.08131924922064 22.990 > 34 137 Na 0.00185419244454 0.33197328852567 0.58131924922064 22.990 > 35 138 Na 0.50185419244454 0.33197328852567 0.58131924922064 22.990 > 35 139 Na 0.00185419244454 0.83197328852567 0.58131924922064 22.990 > 35 140 Na 0.50185419244454 0.83197328852567 0.58131924922064 22.990 > 35 141 Na 0.49814580755546 0.08197328852567 0.91868075077936 22.990 > 36 142 Na 0.99814580755546 0.08197328852567 0.91868075077936 22.990 > 36 143 Na 0.49814580755546 0.58197328852567 0.91868075077936 22.990 > 36 144 Na 0.99814580755546 0.58197328852567 0.91868075077936 22.990 > 36 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 7.6890995 0.0000000 -0.1644161 0.0000000 7.8965245 0.0000000 -0.1645448 0.0000000 7.7963240 -------------------------- Born effective charges -------------------------- 1 Hf 1.8419693 0.4955846 -0.0497782 0.3587303 1.7725934 0.6045655 0.0523622 0.8868862 1.9124630 2 Hf 1.8419693 -0.4955846 -0.0497782 -0.3587303 1.7725934 -0.6045655 0.0523622 -0.8868862 1.9124630 3 Hf 1.8419693 0.4955846 -0.0497782 0.3587303 1.7725934 0.6045655 0.0523622 0.8868862 1.9124630 4 Hf 1.8419693 -0.4955846 -0.0497782 -0.3587303 1.7725934 -0.6045655 0.0523622 -0.8868862 1.9124630 5 As -1.3954564 0.0114355 -0.8795783 0.1470254 -3.2190954 0.0047494 -0.9204417 -0.2346340 -2.5885041 6 As -1.3954564 -0.0114355 -0.8795783 -0.1470254 -3.2190954 -0.0047494 -0.9204417 0.2346340 -2.5885041 7 As -1.3954564 0.0114355 -0.8795783 0.1470254 -3.2190954 0.0047494 -0.9204417 -0.2346340 -2.5885041 8 As -1.3954564 -0.0114355 -0.8795783 -0.1470254 -3.2190954 -0.0047494 -0.9204417 0.2346340 -2.5885041 9 As -3.8005628 -0.8088261 0.1504932 -0.7468029 -2.2289239 0.1755109 -0.1639140 -0.0907554 -1.8542871 10 As -3.8005628 0.8088261 0.1504932 0.7468029 -2.2289239 -0.1755109 -0.1639140 0.0907554 -1.8542871 11 As -3.8005628 -0.8088261 0.1504932 -0.7468029 -2.2289239 0.1755109 -0.1639140 -0.0907554 -1.8542871 12 As -3.8005628 0.8088261 0.1504932 0.7468029 -2.2289239 -0.1755109 -0.1639140 0.0907554 -1.8542871 13 As -2.2580870 0.4378963 0.8244976 0.3319389 -2.0124881 -0.4578910 1.0832260 -0.5288903 -3.2127129 14 As -2.2580870 -0.4378963 0.8244976 -0.3319389 -2.0124881 0.4578910 1.0832260 0.5288903 -3.2127129 15 As -2.2580870 0.4378963 0.8244976 0.3319389 -2.0124881 -0.4578910 1.0832260 -0.5288903 -3.2127129 16 As -2.2580870 -0.4378963 0.8244976 -0.3319389 -2.0124881 0.4578910 1.0832260 0.5288903 -3.2127129 17 Na 0.9649783 0.0715255 0.2933743 0.1083527 1.2029994 0.1148250 0.2520940 0.1865311 1.2830073 18 Na 0.9649783 -0.0715255 0.2933743 -0.1083527 1.2029994 -0.1148250 0.2520940 -0.1865311 1.2830073 19 Na 0.9649783 0.0715255 0.2933743 0.1083527 1.2029994 0.1148250 0.2520940 0.1865311 1.2830073 20 Na 0.9649783 -0.0715255 0.2933743 -0.1083527 1.2029994 -0.1148250 0.2520940 -0.1865311 1.2830073 21 Na 1.4296467 -0.0466855 -0.1812524 0.0429893 0.9080835 -0.0490469 -0.1399683 -0.0826929 1.2008154 22 Na 1.4296467 0.0466855 -0.1812524 -0.0429893 0.9080835 0.0490469 -0.1399683 0.0826929 1.2008154 23 Na 1.4296467 -0.0466855 -0.1812524 0.0429893 0.9080835 -0.0490469 -0.1399683 -0.0826929 1.2008154 24 Na 1.4296467 0.0466855 -0.1812524 -0.0429893 0.9080835 0.0490469 -0.1399683 0.0826929 1.2008154 25 Na 1.0093352 -0.1137229 -0.1486692 -0.0348351 1.4751380 -0.2037255 -0.1610017 -0.0022747 1.1253380 26 Na 1.0093352 0.1137229 -0.1486692 0.0348351 1.4751380 0.2037255 -0.1610017 0.0022747 1.1253380 27 Na 1.0093352 -0.1137229 -0.1486692 -0.0348351 1.4751380 -0.2037255 -0.1610017 -0.0022747 1.1253380 28 Na 1.0093352 0.1137229 -0.1486692 0.0348351 1.4751380 0.2037255 -0.1610017 0.0022747 1.1253380 29 Na 1.0701772 0.0702588 0.1742427 0.1588527 0.9563041 -0.2571259 -0.1482943 -0.2338499 1.0128716 30 Na 1.0701772 -0.0702588 0.1742427 -0.1588527 0.9563041 0.2571259 -0.1482943 0.2338499 1.0128716 31 Na 1.0701772 0.0702588 0.1742427 0.1588527 0.9563041 -0.2571259 -0.1482943 -0.2338499 1.0128716 32 Na 1.0701772 -0.0702588 0.1742427 -0.1588527 0.9563041 0.2571259 -0.1482943 0.2338499 1.0128716 33 Na 1.1379995 0.1206688 -0.1833298 -0.1225751 1.1453892 -0.1565031 0.1459378 -0.0184923 1.1210089 34 Na 1.1379995 -0.1206688 -0.1833298 0.1225751 1.1453892 0.1565031 0.1459378 0.0184923 1.1210089 35 Na 1.1379995 0.1206688 -0.1833298 -0.1225751 1.1453892 -0.1565031 0.1459378 -0.0184923 1.1210089 36 Na 1.1379995 -0.1206688 -0.1833298 0.1225751 1.1453892 0.1565031 0.1459378 0.0184923 1.1210089 ---------------------------------------------------------------------------- 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: 432/432 Permutation basis: 23760/23760 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 5994 Number of blocks in projector: 5994 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: 1296 Use submatrix version of eigh solver. (1) Block: 500 / 1296 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 232 eigenvectors found. (2) Complementary block size: 36 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 1000 / 1296 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 1296 / 1296 (1) 278 eigenvectors found. (1) Complementary block size: 50 (1) Compute compressed projector. (1) Use standard solver. (1) 32 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 1296 Use submatrix version of eigh solver. (1) Block: 500 / 1296 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 232 eigenvectors found. (2) Complementary block size: 36 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 1000 / 1296 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 1296 / 1296 (1) 278 eigenvectors found. (1) Complementary block size: 50 (1) Compute compressed projector. (1) Use standard solver. (1) 32 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 1296 Use submatrix version of eigh solver. (1) Block: 500 / 1296 (2) Block: 250 / 500 (2) 233 eigenvectors found. (2) Block: 500 / 500 (2) 233 eigenvectors found. (2) Complementary block size: 34 (2) Compute compressed projector. (2) Use standard solver. (2) 17 eigenvectors found. (1) 483 eigenvectors found. (1) Block: 1000 / 1296 (2) Block: 250 / 500 (2) 235 eigenvectors found. (2) Block: 500 / 500 (2) 239 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 485 eigenvectors found. (1) Block: 1296 / 1296 (1) 287 eigenvectors found. (1) Complementary block size: 41 (1) Compute compressed projector. (1) Use standard solver. (1) 24 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 702 Use submatrix version of eigh solver. (1) Block: 500 / 702 (2) Block: 250 / 500 (2) 241 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 17 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 491 eigenvectors found. (1) Block: 702 / 702 (1) 193 eigenvectors found. (1) Complementary block size: 18 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 702 Use submatrix version of eigh solver. (1) Block: 500 / 702 (2) Block: 250 / 500 (2) 241 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 17 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 491 eigenvectors found. (1) Block: 702 / 702 (1) 193 eigenvectors found. (1) Complementary block size: 18 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 702 Use submatrix version of eigh solver. (1) Block: 500 / 702 (2) Block: 250 / 500 (2) 241 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 17 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 491 eigenvectors found. (1) Block: 702 / 702 (1) 193 eigenvectors found. (1) Complementary block size: 18 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. Tree of FC basis block matrices: - (5994, 5914), data: False |-- (702, 693), data: False |-- (702, 9), data: (702, 18) @ (18, 9) |-- (202, 193), data: True |-- (500, 491), data: False |-- (500, 8), data: (500, 17) @ (17, 8) |-- (250, 242), data: True |-- (250, 241), data: True |-- (702, 693), data: False |-- (702, 9), data: (702, 18) @ (18, 9) |-- (202, 193), data: True |-- (500, 491), data: False |-- (500, 8), data: (500, 17) @ (17, 8) |-- (250, 242), data: True |-- (250, 241), data: True |-- (702, 693), data: False |-- (702, 9), data: (702, 18) @ (18, 9) |-- (202, 193), data: True |-- (500, 491), data: False |-- (500, 8), data: (500, 17) @ (17, 8) |-- (250, 242), data: True |-- (250, 241), data: True |-- (1296, 1279), data: False |-- (1296, 24), data: (1296, 41) @ (41, 24) |-- (296, 287), data: True |-- (500, 485), data: False |-- (500, 11), data: (500, 26) @ (26, 11) |-- (250, 239), data: True |-- (250, 235), data: True |-- (500, 483), data: False |-- (500, 17), data: (500, 34) @ (34, 17) |-- (250, 233), data: True |-- (250, 233), data: True |-- (1296, 1278), data: False |-- (1296, 32), data: (1296, 50) @ (50, 32) |-- (296, 278), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), data: True |-- (500, 482), data: False |-- (500, 18), data: (500, 36) @ (36, 18) |-- (250, 232), data: True |-- (250, 232), data: True |-- (1296, 1278), data: False |-- (1296, 32), data: (1296, 50) @ (50, 32) |-- (296, 278), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), data: True |-- (500, 482), data: False |-- (500, 18), data: (500, 36) @ (36, 18) |-- (250, 232), data: True |-- (250, 232), data: True ----- Solver_atoms: 1 -- 144 / 144 Time (Solver_compr_matrix_reshape): 0.004 Solver_block: 100 / 1120 - Time: 2.008 Solver_block: 200 / 1120 - Time: 1.798 Solver_block: 300 / 1120 - Time: 1.791 Solver_block: 400 / 1120 - Time: 1.797 Solver_block: 500 / 1120 - Time: 1.798 Solver_block: 600 / 1120 - Time: 1.798 Solver_block: 700 / 1120 - Time: 1.798 Solver_block: 800 / 1120 - Time: 1.797 Solver_block: 900 / 1120 - Time: 1.799 Solver_block: 1000 / 1120 - Time: 1.796 Solver_block: 1100 / 1120 - Time: 1.795 Solver_block: 1120 / 1120 - Time: 0.513 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 21.001 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (yy) 0.00000000 (yy) Permutation basis: 432/432 Permutation basis: 23760/23760 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 5994 Number of blocks in projector: 5994 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: 1296 Use submatrix version of eigh solver. (1) Block: 500 / 1296 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 232 eigenvectors found. (2) Complementary block size: 36 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 1000 / 1296 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 1296 / 1296 (1) 278 eigenvectors found. (1) Complementary block size: 50 (1) Compute compressed projector. (1) Use standard solver. (1) 32 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 1296 Use submatrix version of eigh solver. (1) Block: 500 / 1296 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 232 eigenvectors found. (2) Complementary block size: 36 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 1000 / 1296 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 1296 / 1296 (1) 278 eigenvectors found. (1) Complementary block size: 50 (1) Compute compressed projector. (1) Use standard solver. (1) 32 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 1296 Use submatrix version of eigh solver. (1) Block: 500 / 1296 (2) Block: 250 / 500 (2) 233 eigenvectors found. (2) Block: 500 / 500 (2) 233 eigenvectors found. (2) Complementary block size: 34 (2) Compute compressed projector. (2) Use standard solver. (2) 17 eigenvectors found. (1) 483 eigenvectors found. (1) Block: 1000 / 1296 (2) Block: 250 / 500 (2) 235 eigenvectors found. (2) Block: 500 / 500 (2) 239 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 485 eigenvectors found. (1) Block: 1296 / 1296 (1) 287 eigenvectors found. (1) Complementary block size: 41 (1) Compute compressed projector. (1) Use standard solver. (1) 24 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 702 Use submatrix version of eigh solver. (1) Block: 500 / 702 (2) Block: 250 / 500 (2) 241 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 17 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 491 eigenvectors found. (1) Block: 702 / 702 (1) 193 eigenvectors found. (1) Complementary block size: 18 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 702 Use submatrix version of eigh solver. (1) Block: 500 / 702 (2) Block: 250 / 500 (2) 241 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 17 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 491 eigenvectors found. (1) Block: 702 / 702 (1) 193 eigenvectors found. (1) Complementary block size: 18 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 702 Use submatrix version of eigh solver. (1) Block: 500 / 702 (2) Block: 250 / 500 (2) 241 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 17 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 491 eigenvectors found. (1) Block: 702 / 702 (1) 193 eigenvectors found. (1) Complementary block size: 18 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. Tree of FC basis block matrices: - (5994, 5914), data: False |-- (702, 693), data: False |-- (702, 9), data: (702, 18) @ (18, 9) |-- (202, 193), data: True |-- (500, 491), data: False |-- (500, 8), data: (500, 17) @ (17, 8) |-- (250, 242), data: True |-- (250, 241), data: True |-- (702, 693), data: False |-- (702, 9), data: (702, 18) @ (18, 9) |-- (202, 193), data: True |-- (500, 491), data: False |-- (500, 8), data: (500, 17) @ (17, 8) |-- (250, 242), data: True |-- (250, 241), data: True |-- (702, 693), data: False |-- (702, 9), data: (702, 18) @ (18, 9) |-- (202, 193), data: True |-- (500, 491), data: False |-- (500, 8), data: (500, 17) @ (17, 8) |-- (250, 242), data: True |-- (250, 241), data: True |-- (1296, 1279), data: False |-- (1296, 24), data: (1296, 41) @ (41, 24) |-- (296, 287), data: True |-- (500, 485), data: False |-- (500, 11), data: (500, 26) @ (26, 11) |-- (250, 239), data: True |-- (250, 235), data: True |-- (500, 483), data: False |-- (500, 17), data: (500, 34) @ (34, 17) |-- (250, 233), data: True |-- (250, 233), data: True |-- (1296, 1278), data: False |-- (1296, 32), data: (1296, 50) @ (50, 32) |-- (296, 278), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), data: True |-- (500, 482), data: False |-- (500, 18), data: (500, 36) @ (36, 18) |-- (250, 232), data: True |-- (250, 232), data: True |-- (1296, 1278), data: False |-- (1296, 32), data: (1296, 50) @ (50, 32) |-- (296, 278), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), data: True |-- (500, 482), data: False |-- (500, 18), data: (500, 36) @ (36, 18) |-- (250, 232), data: True |-- (250, 232), data: True Max drift after symmetrization by symfc projector: 0.00000000 (yy) 0.00000000 (yy) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 10:12:57]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 10:12:58]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 8.403610160682597 0.000000000000000 0.000000000000000 b 0.000000000000000 7.428408640000002 0.000000000000000 c -8.277203689050983 0.000000000000000 13.730764532255860 Atomic positions (fractional): 1 Hf 0.33947096533156 0.85727480633498 0.41371493502445 178.490 2 Hf 0.66052903466844 0.35727480633498 0.08628506497555 178.490 3 Hf 0.66052903466844 0.14272519366502 0.58628506497555 178.490 4 Hf 0.33947096533156 0.64272519366502 0.91371493502445 178.490 5 As 0.34107924638043 0.20793816812821 0.43077069258705 74.922 6 As 0.65892075361957 0.70793816812821 0.06922930741295 74.922 7 As 0.65892075361957 0.79206183187179 0.56922930741295 74.922 8 As 0.34107924638043 0.29206183187179 0.93077069258705 74.922 9 As 0.05538950939125 0.74338344710326 0.41680920937957 74.922 10 As 0.94461049060875 0.24338344710326 0.08319079062043 74.922 11 As 0.94461049060875 0.25661655289674 0.58319079062043 74.922 12 As 0.05538950939125 0.75661655289674 0.91680920937957 74.922 13 As 0.35422003466466 0.76158436359565 0.26475896428535 74.922 14 As 0.64577996533534 0.26158436359565 0.23524103571465 74.922 15 As 0.64577996533534 0.23841563640435 0.73524103571465 74.922 16 As 0.35422003466466 0.73841563640435 0.76475896428535 74.922 17 Na 0.08168974493744 0.50811118298911 0.26189771613346 22.990 18 Na 0.91831025506256 0.00811118298911 0.23810228386654 22.990 19 Na 0.91831025506256 0.49188881701089 0.73810228386654 22.990 20 Na 0.08168974493744 0.99188881701089 0.76189771613346 22.990 21 Na 0.73772911974736 0.98738912491393 0.40709313767470 22.990 22 Na 0.26227088025264 0.48738912491393 0.09290686232530 22.990 23 Na 0.26227088025264 0.01261087508607 0.59290686232530 22.990 24 Na 0.73772911974736 0.51261087508607 0.90709313767470 22.990 25 Na 0.40268542689087 0.52791489929087 0.58399789950707 22.990 26 Na 0.59731457310913 0.02791489929087 0.91600210049293 22.990 27 Na 0.59731457310913 0.47208510070913 0.41600210049294 22.990 28 Na 0.40268542689087 0.97208510070913 0.08399789950707 22.990 29 Na 0.32023238422052 0.15587739024523 0.24331633464217 22.990 30 Na 0.67976761577948 0.65587739024523 0.25668366535783 22.990 31 Na 0.67976761577948 0.84412260975477 0.75668366535783 22.990 32 Na 0.32023238422052 0.34412260975477 0.74331633464217 22.990 33 Na 0.99629161511092 0.33605342294865 0.41868075077936 22.990 34 Na 0.00370838488908 0.83605342294865 0.08131924922064 22.990 35 Na 0.00370838488908 0.66394657705135 0.58131924922064 22.990 36 Na 0.99629161511092 0.16394657705135 0.91868075077936 22.990 -------------------------------- supercell --------------------------------- Lattice vectors: a 16.807220321365193 0.000000000000000 0.000000000000000 b 0.000000000000000 14.856817280000003 0.000000000000000 c -8.277203689050983 0.000000000000000 13.730764532255860 Atomic positions (fractional): 1 Hf 0.16973548266578 0.42863740316749 0.41371493502445 178.490 > 1 2 Hf 0.66973548266578 0.42863740316749 0.41371493502445 178.490 > 1 3 Hf 0.16973548266578 0.92863740316749 0.41371493502445 178.490 > 1 4 Hf 0.66973548266578 0.92863740316749 0.41371493502445 178.490 > 1 5 Hf 0.33026451733422 0.17863740316749 0.08628506497555 178.490 > 5 6 Hf 0.83026451733422 0.17863740316749 0.08628506497555 178.490 > 5 7 Hf 0.33026451733422 0.67863740316749 0.08628506497555 178.490 > 5 8 Hf 0.83026451733422 0.67863740316749 0.08628506497555 178.490 > 5 9 Hf 0.33026451733422 0.07136259683251 0.58628506497555 178.490 > 9 10 Hf 0.83026451733422 0.07136259683251 0.58628506497555 178.490 > 9 11 Hf 0.33026451733422 0.57136259683251 0.58628506497555 178.490 > 9 12 Hf 0.83026451733422 0.57136259683251 0.58628506497555 178.490 > 9 13 Hf 0.16973548266578 0.32136259683251 0.91371493502445 178.490 > 13 14 Hf 0.66973548266578 0.32136259683251 0.91371493502445 178.490 > 13 15 Hf 0.16973548266578 0.82136259683251 0.91371493502445 178.490 > 13 16 Hf 0.66973548266578 0.82136259683251 0.91371493502445 178.490 > 13 17 As 0.17053962319021 0.10396908406411 0.43077069258705 74.922 > 17 18 As 0.67053962319021 0.10396908406411 0.43077069258705 74.922 > 17 19 As 0.17053962319021 0.60396908406411 0.43077069258705 74.922 > 17 20 As 0.67053962319021 0.60396908406411 0.43077069258705 74.922 > 17 21 As 0.32946037680979 0.35396908406411 0.06922930741295 74.922 > 21 22 As 0.82946037680979 0.35396908406411 0.06922930741295 74.922 > 21 23 As 0.32946037680979 0.85396908406411 0.06922930741295 74.922 > 21 24 As 0.82946037680979 0.85396908406411 0.06922930741295 74.922 > 21 25 As 0.32946037680979 0.39603091593589 0.56922930741295 74.922 > 25 26 As 0.82946037680979 0.39603091593589 0.56922930741295 74.922 > 25 27 As 0.32946037680979 0.89603091593589 0.56922930741295 74.922 > 25 28 As 0.82946037680979 0.89603091593589 0.56922930741295 74.922 > 25 29 As 0.17053962319021 0.14603091593589 0.93077069258705 74.922 > 29 30 As 0.67053962319021 0.14603091593589 0.93077069258705 74.922 > 29 31 As 0.17053962319021 0.64603091593589 0.93077069258705 74.922 > 29 32 As 0.67053962319021 0.64603091593589 0.93077069258705 74.922 > 29 33 As 0.02769475469563 0.37169172355163 0.41680920937957 74.922 > 33 34 As 0.52769475469563 0.37169172355163 0.41680920937957 74.922 > 33 35 As 0.02769475469563 0.87169172355163 0.41680920937957 74.922 > 33 36 As 0.52769475469563 0.87169172355163 0.41680920937957 74.922 > 33 37 As 0.47230524530437 0.12169172355163 0.08319079062043 74.922 > 37 38 As 0.97230524530437 0.12169172355163 0.08319079062043 74.922 > 37 39 As 0.47230524530437 0.62169172355163 0.08319079062043 74.922 > 37 40 As 0.97230524530437 0.62169172355163 0.08319079062043 74.922 > 37 41 As 0.47230524530437 0.12830827644837 0.58319079062043 74.922 > 41 42 As 0.97230524530437 0.12830827644837 0.58319079062043 74.922 > 41 43 As 0.47230524530437 0.62830827644837 0.58319079062043 74.922 > 41 44 As 0.97230524530437 0.62830827644837 0.58319079062043 74.922 > 41 45 As 0.02769475469563 0.37830827644837 0.91680920937957 74.922 > 45 46 As 0.52769475469563 0.37830827644837 0.91680920937957 74.922 > 45 47 As 0.02769475469563 0.87830827644837 0.91680920937957 74.922 > 45 48 As 0.52769475469563 0.87830827644837 0.91680920937957 74.922 > 45 49 As 0.17711001733233 0.38079218179782 0.26475896428535 74.922 > 49 50 As 0.67711001733233 0.38079218179782 0.26475896428535 74.922 > 49 51 As 0.17711001733233 0.88079218179782 0.26475896428535 74.922 > 49 52 As 0.67711001733233 0.88079218179782 0.26475896428535 74.922 > 49 53 As 0.32288998266767 0.13079218179782 0.23524103571465 74.922 > 53 54 As 0.82288998266767 0.13079218179782 0.23524103571465 74.922 > 53 55 As 0.32288998266767 0.63079218179782 0.23524103571465 74.922 > 53 56 As 0.82288998266767 0.63079218179782 0.23524103571465 74.922 > 53 57 As 0.32288998266767 0.11920781820218 0.73524103571465 74.922 > 57 58 As 0.82288998266767 0.11920781820218 0.73524103571465 74.922 > 57 59 As 0.32288998266767 0.61920781820218 0.73524103571465 74.922 > 57 60 As 0.82288998266767 0.61920781820218 0.73524103571465 74.922 > 57 61 As 0.17711001733233 0.36920781820218 0.76475896428535 74.922 > 61 62 As 0.67711001733233 0.36920781820218 0.76475896428535 74.922 > 61 63 As 0.17711001733233 0.86920781820218 0.76475896428535 74.922 > 61 64 As 0.67711001733233 0.86920781820218 0.76475896428535 74.922 > 61 65 Na 0.04084487246872 0.25405559149456 0.26189771613346 22.990 > 65 66 Na 0.54084487246872 0.25405559149456 0.26189771613346 22.990 > 65 67 Na 0.04084487246872 0.75405559149456 0.26189771613346 22.990 > 65 68 Na 0.54084487246872 0.75405559149456 0.26189771613346 22.990 > 65 69 Na 0.45915512753128 0.00405559149456 0.23810228386654 22.990 > 69 70 Na 0.95915512753128 0.00405559149456 0.23810228386654 22.990 > 69 71 Na 0.45915512753128 0.50405559149456 0.23810228386654 22.990 > 69 72 Na 0.95915512753128 0.50405559149456 0.23810228386654 22.990 > 69 73 Na 0.45915512753128 0.24594440850544 0.73810228386654 22.990 > 73 74 Na 0.95915512753128 0.24594440850544 0.73810228386654 22.990 > 73 75 Na 0.45915512753128 0.74594440850544 0.73810228386654 22.990 > 73 76 Na 0.95915512753128 0.74594440850544 0.73810228386654 22.990 > 73 77 Na 0.04084487246872 0.49594440850544 0.76189771613346 22.990 > 77 78 Na 0.54084487246872 0.49594440850544 0.76189771613346 22.990 > 77 79 Na 0.04084487246872 0.99594440850544 0.76189771613346 22.990 > 77 80 Na 0.54084487246872 0.99594440850544 0.76189771613346 22.990 > 77 81 Na 0.36886455987368 0.49369456245697 0.40709313767470 22.990 > 81 82 Na 0.86886455987368 0.49369456245697 0.40709313767470 22.990 > 81 83 Na 0.36886455987368 0.99369456245697 0.40709313767470 22.990 > 81 84 Na 0.86886455987368 0.99369456245697 0.40709313767470 22.990 > 81 85 Na 0.13113544012632 0.24369456245697 0.09290686232530 22.990 > 85 86 Na 0.63113544012632 0.24369456245697 0.09290686232530 22.990 > 85 87 Na 0.13113544012632 0.74369456245697 0.09290686232530 22.990 > 85 88 Na 0.63113544012632 0.74369456245697 0.09290686232530 22.990 > 85 89 Na 0.13113544012632 0.00630543754303 0.59290686232530 22.990 > 89 90 Na 0.63113544012632 0.00630543754303 0.59290686232530 22.990 > 89 91 Na 0.13113544012632 0.50630543754303 0.59290686232530 22.990 > 89 92 Na 0.63113544012632 0.50630543754303 0.59290686232530 22.990 > 89 93 Na 0.36886455987368 0.25630543754303 0.90709313767470 22.990 > 93 94 Na 0.86886455987368 0.25630543754303 0.90709313767470 22.990 > 93 95 Na 0.36886455987368 0.75630543754303 0.90709313767470 22.990 > 93 96 Na 0.86886455987368 0.75630543754303 0.90709313767470 22.990 > 93 97 Na 0.20134271344544 0.26395744964543 0.58399789950707 22.990 > 97 98 Na 0.70134271344543 0.26395744964543 0.58399789950707 22.990 > 97 99 Na 0.20134271344544 0.76395744964543 0.58399789950707 22.990 > 97 100 Na 0.70134271344543 0.76395744964543 0.58399789950707 22.990 > 97 101 Na 0.29865728655457 0.01395744964543 0.91600210049293 22.990 > 101 102 Na 0.79865728655457 0.01395744964543 0.91600210049293 22.990 > 101 103 Na 0.29865728655457 0.51395744964543 0.91600210049293 22.990 > 101 104 Na 0.79865728655457 0.51395744964543 0.91600210049293 22.990 > 101 105 Na 0.29865728655457 0.23604255035457 0.41600210049294 22.990 > 105 106 Na 0.79865728655457 0.23604255035457 0.41600210049294 22.990 > 105 107 Na 0.29865728655457 0.73604255035457 0.41600210049294 22.990 > 105 108 Na 0.79865728655457 0.73604255035457 0.41600210049294 22.990 > 105 109 Na 0.20134271344544 0.48604255035457 0.08399789950707 22.990 > 109 110 Na 0.70134271344543 0.48604255035457 0.08399789950707 22.990 > 109 111 Na 0.20134271344544 0.98604255035457 0.08399789950707 22.990 > 109 112 Na 0.70134271344543 0.98604255035457 0.08399789950707 22.990 > 109 113 Na 0.16011619211026 0.07793869512262 0.24331633464217 22.990 > 113 114 Na 0.66011619211026 0.07793869512262 0.24331633464217 22.990 > 113 115 Na 0.16011619211026 0.57793869512262 0.24331633464217 22.990 > 113 116 Na 0.66011619211026 0.57793869512262 0.24331633464217 22.990 > 113 117 Na 0.33988380788974 0.32793869512262 0.25668366535783 22.990 > 117 118 Na 0.83988380788974 0.32793869512262 0.25668366535783 22.990 > 117 119 Na 0.33988380788974 0.82793869512262 0.25668366535783 22.990 > 117 120 Na 0.83988380788974 0.82793869512262 0.25668366535783 22.990 > 117 121 Na 0.33988380788974 0.42206130487738 0.75668366535783 22.990 > 121 122 Na 0.83988380788974 0.42206130487738 0.75668366535783 22.990 > 121 123 Na 0.33988380788974 0.92206130487738 0.75668366535783 22.990 > 121 124 Na 0.83988380788974 0.92206130487738 0.75668366535783 22.990 > 121 125 Na 0.16011619211026 0.17206130487738 0.74331633464217 22.990 > 125 126 Na 0.66011619211026 0.17206130487738 0.74331633464217 22.990 > 125 127 Na 0.16011619211026 0.67206130487738 0.74331633464217 22.990 > 125 128 Na 0.66011619211026 0.67206130487738 0.74331633464217 22.990 > 125 129 Na 0.49814580755546 0.16802671147433 0.41868075077936 22.990 > 129 130 Na 0.99814580755546 0.16802671147433 0.41868075077936 22.990 > 129 131 Na 0.49814580755546 0.66802671147433 0.41868075077936 22.990 > 129 132 Na 0.99814580755546 0.66802671147433 0.41868075077936 22.990 > 129 133 Na 0.00185419244454 0.41802671147433 0.08131924922064 22.990 > 133 134 Na 0.50185419244454 0.41802671147433 0.08131924922064 22.990 > 133 135 Na 0.00185419244454 0.91802671147433 0.08131924922064 22.990 > 133 136 Na 0.50185419244454 0.91802671147433 0.08131924922064 22.990 > 133 137 Na 0.00185419244454 0.33197328852567 0.58131924922064 22.990 > 137 138 Na 0.50185419244454 0.33197328852567 0.58131924922064 22.990 > 137 139 Na 0.00185419244454 0.83197328852567 0.58131924922064 22.990 > 137 140 Na 0.50185419244454 0.83197328852567 0.58131924922064 22.990 > 137 141 Na 0.49814580755546 0.08197328852567 0.91868075077936 22.990 > 141 142 Na 0.99814580755546 0.08197328852567 0.91868075077936 22.990 > 141 143 Na 0.49814580755546 0.58197328852567 0.91868075077936 22.990 > 141 144 Na 0.99814580755546 0.58197328852567 0.91868075077936 22.990 > 141 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 7.6890995 0.0000000 -0.1644161 0.0000000 7.8965245 0.0000000 -0.1645448 0.0000000 7.7963240 -------------------------- Born effective charges -------------------------- 1 Hf 1.8419693 0.4955846 -0.0497782 0.3587303 1.7725934 0.6045655 0.0523622 0.8868862 1.9124630 2 Hf 1.8419693 -0.4955846 -0.0497782 -0.3587303 1.7725934 -0.6045655 0.0523622 -0.8868862 1.9124630 3 Hf 1.8419693 0.4955846 -0.0497782 0.3587303 1.7725934 0.6045655 0.0523622 0.8868862 1.9124630 4 Hf 1.8419693 -0.4955846 -0.0497782 -0.3587303 1.7725934 -0.6045655 0.0523622 -0.8868862 1.9124630 5 As -1.3954564 0.0114355 -0.8795783 0.1470254 -3.2190954 0.0047494 -0.9204417 -0.2346340 -2.5885041 6 As -1.3954564 -0.0114355 -0.8795783 -0.1470254 -3.2190954 -0.0047494 -0.9204417 0.2346340 -2.5885041 7 As -1.3954564 0.0114355 -0.8795783 0.1470254 -3.2190954 0.0047494 -0.9204417 -0.2346340 -2.5885041 8 As -1.3954564 -0.0114355 -0.8795783 -0.1470254 -3.2190954 -0.0047494 -0.9204417 0.2346340 -2.5885041 9 As -3.8005628 -0.8088261 0.1504932 -0.7468029 -2.2289239 0.1755109 -0.1639140 -0.0907554 -1.8542871 10 As -3.8005628 0.8088261 0.1504932 0.7468029 -2.2289239 -0.1755109 -0.1639140 0.0907554 -1.8542871 11 As -3.8005628 -0.8088261 0.1504932 -0.7468029 -2.2289239 0.1755109 -0.1639140 -0.0907554 -1.8542871 12 As -3.8005628 0.8088261 0.1504932 0.7468029 -2.2289239 -0.1755109 -0.1639140 0.0907554 -1.8542871 13 As -2.2580870 0.4378963 0.8244976 0.3319389 -2.0124881 -0.4578910 1.0832260 -0.5288903 -3.2127129 14 As -2.2580870 -0.4378963 0.8244976 -0.3319389 -2.0124881 0.4578910 1.0832260 0.5288903 -3.2127129 15 As -2.2580870 0.4378963 0.8244976 0.3319389 -2.0124881 -0.4578910 1.0832260 -0.5288903 -3.2127129 16 As -2.2580870 -0.4378963 0.8244976 -0.3319389 -2.0124881 0.4578910 1.0832260 0.5288903 -3.2127129 17 Na 0.9649783 0.0715255 0.2933743 0.1083527 1.2029994 0.1148250 0.2520940 0.1865311 1.2830073 18 Na 0.9649783 -0.0715255 0.2933743 -0.1083527 1.2029994 -0.1148250 0.2520940 -0.1865311 1.2830073 19 Na 0.9649783 0.0715255 0.2933743 0.1083527 1.2029994 0.1148250 0.2520940 0.1865311 1.2830073 20 Na 0.9649783 -0.0715255 0.2933743 -0.1083527 1.2029994 -0.1148250 0.2520940 -0.1865311 1.2830073 21 Na 1.4296467 -0.0466855 -0.1812524 0.0429893 0.9080835 -0.0490469 -0.1399683 -0.0826929 1.2008154 22 Na 1.4296467 0.0466855 -0.1812524 -0.0429893 0.9080835 0.0490469 -0.1399683 0.0826929 1.2008154 23 Na 1.4296467 -0.0466855 -0.1812524 0.0429893 0.9080835 -0.0490469 -0.1399683 -0.0826929 1.2008154 24 Na 1.4296467 0.0466855 -0.1812524 -0.0429893 0.9080835 0.0490469 -0.1399683 0.0826929 1.2008154 25 Na 1.0093352 -0.1137229 -0.1486692 -0.0348351 1.4751380 -0.2037255 -0.1610017 -0.0022747 1.1253380 26 Na 1.0093352 0.1137229 -0.1486692 0.0348351 1.4751380 0.2037255 -0.1610017 0.0022747 1.1253380 27 Na 1.0093352 -0.1137229 -0.1486692 -0.0348351 1.4751380 -0.2037255 -0.1610017 -0.0022747 1.1253380 28 Na 1.0093352 0.1137229 -0.1486692 0.0348351 1.4751380 0.2037255 -0.1610017 0.0022747 1.1253380 29 Na 1.0701772 0.0702588 0.1742427 0.1588527 0.9563041 -0.2571259 -0.1482943 -0.2338499 1.0128716 30 Na 1.0701772 -0.0702588 0.1742427 -0.1588527 0.9563041 0.2571259 -0.1482943 0.2338499 1.0128716 31 Na 1.0701772 0.0702588 0.1742427 0.1588527 0.9563041 -0.2571259 -0.1482943 -0.2338499 1.0128716 32 Na 1.0701772 -0.0702588 0.1742427 -0.1588527 0.9563041 0.2571259 -0.1482943 0.2338499 1.0128716 33 Na 1.1379995 0.1206688 -0.1833298 -0.1225751 1.1453892 -0.1565031 0.1459378 -0.0184923 1.1210089 34 Na 1.1379995 -0.1206688 -0.1833298 0.1225751 1.1453892 0.1565031 0.1459378 0.0184923 1.1210089 35 Na 1.1379995 0.1206688 -0.1833298 -0.1225751 1.1453892 -0.1565031 0.1459378 -0.0184923 1.1210089 36 Na 1.1379995 -0.1206688 -0.1833298 0.1225751 1.1453892 0.1565031 0.1459378 0.0184923 1.1210089 ---------------------------------------------------------------------------- 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] [-0.0052 0.0000 0.0086] [ 0.0052 0.0000 -0.0086] Computing fc3[ 17, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0052 0.0000 0.0086] [ 0.0052 0.0000 -0.0086] 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] [-0.0052 0.0000 0.0086] [ 0.0052 0.0000 -0.0086] Computing fc3[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0052 0.0000 0.0086] [ 0.0052 0.0000 -0.0086] Computing fc3[ 65, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0052 0.0000 0.0086] [ 0.0052 0.0000 -0.0086] Computing fc3[ 81, 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] [-0.0052 0.0000 0.0086] [ 0.0052 0.0000 -0.0086] Computing fc3[ 97, 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] [-0.0052 0.0000 0.0086] [ 0.0052 0.0000 -0.0086] Computing fc3[ 113, 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] [-0.0052 0.0000 0.0086] [ 0.0052 0.0000 -0.0086] Computing fc3[ 129, 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] [-0.0052 0.0000 0.0086] [ 0.0052 0.0000 -0.0086] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000000 (zzz) -0.00000000 (zzz) -0.00000000 (zzz) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000000 (yz) 0.00000000 (yz) 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 10:13:59]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 10:13:59]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 8.403610160682597 0.000000000000000 0.000000000000000 b 0.000000000000000 7.428408640000002 0.000000000000000 c -8.277203689050983 0.000000000000000 13.730764532255860 Atomic positions (fractional): 1 Hf 0.33947096533156 0.85727480633498 0.41371493502445 178.490 2 Hf 0.66052903466844 0.35727480633498 0.08628506497555 178.490 3 Hf 0.66052903466844 0.14272519366502 0.58628506497555 178.490 4 Hf 0.33947096533156 0.64272519366502 0.91371493502445 178.490 5 As 0.34107924638043 0.20793816812821 0.43077069258705 74.922 6 As 0.65892075361957 0.70793816812821 0.06922930741295 74.922 7 As 0.65892075361957 0.79206183187179 0.56922930741295 74.922 8 As 0.34107924638043 0.29206183187179 0.93077069258705 74.922 9 As 0.05538950939125 0.74338344710326 0.41680920937957 74.922 10 As 0.94461049060875 0.24338344710326 0.08319079062043 74.922 11 As 0.94461049060875 0.25661655289674 0.58319079062043 74.922 12 As 0.05538950939125 0.75661655289674 0.91680920937957 74.922 13 As 0.35422003466466 0.76158436359565 0.26475896428535 74.922 14 As 0.64577996533534 0.26158436359565 0.23524103571465 74.922 15 As 0.64577996533534 0.23841563640435 0.73524103571465 74.922 16 As 0.35422003466466 0.73841563640435 0.76475896428535 74.922 17 Na 0.08168974493744 0.50811118298911 0.26189771613346 22.990 18 Na 0.91831025506256 0.00811118298911 0.23810228386654 22.990 19 Na 0.91831025506256 0.49188881701089 0.73810228386654 22.990 20 Na 0.08168974493744 0.99188881701089 0.76189771613346 22.990 21 Na 0.73772911974736 0.98738912491393 0.40709313767470 22.990 22 Na 0.26227088025264 0.48738912491393 0.09290686232530 22.990 23 Na 0.26227088025264 0.01261087508607 0.59290686232530 22.990 24 Na 0.73772911974736 0.51261087508607 0.90709313767470 22.990 25 Na 0.40268542689087 0.52791489929087 0.58399789950707 22.990 26 Na 0.59731457310913 0.02791489929087 0.91600210049293 22.990 27 Na 0.59731457310913 0.47208510070913 0.41600210049294 22.990 28 Na 0.40268542689087 0.97208510070913 0.08399789950707 22.990 29 Na 0.32023238422052 0.15587739024523 0.24331633464217 22.990 30 Na 0.67976761577948 0.65587739024523 0.25668366535783 22.990 31 Na 0.67976761577948 0.84412260975477 0.75668366535783 22.990 32 Na 0.32023238422052 0.34412260975477 0.74331633464217 22.990 33 Na 0.99629161511092 0.33605342294865 0.41868075077936 22.990 34 Na 0.00370838488908 0.83605342294865 0.08131924922064 22.990 35 Na 0.00370838488908 0.66394657705135 0.58131924922064 22.990 36 Na 0.99629161511092 0.16394657705135 0.91868075077936 22.990 -------------------------------- supercell --------------------------------- Lattice vectors: a 16.807220321365193 0.000000000000000 0.000000000000000 b 0.000000000000000 14.856817280000003 0.000000000000000 c -8.277203689050983 0.000000000000000 13.730764532255860 Atomic positions (fractional): 1 Hf 0.16973548266578 0.42863740316749 0.41371493502445 178.490 > 1 2 Hf 0.66973548266578 0.42863740316749 0.41371493502445 178.490 > 1 3 Hf 0.16973548266578 0.92863740316749 0.41371493502445 178.490 > 1 4 Hf 0.66973548266578 0.92863740316749 0.41371493502445 178.490 > 1 5 Hf 0.33026451733422 0.17863740316749 0.08628506497555 178.490 > 5 6 Hf 0.83026451733422 0.17863740316749 0.08628506497555 178.490 > 5 7 Hf 0.33026451733422 0.67863740316749 0.08628506497555 178.490 > 5 8 Hf 0.83026451733422 0.67863740316749 0.08628506497555 178.490 > 5 9 Hf 0.33026451733422 0.07136259683251 0.58628506497555 178.490 > 9 10 Hf 0.83026451733422 0.07136259683251 0.58628506497555 178.490 > 9 11 Hf 0.33026451733422 0.57136259683251 0.58628506497555 178.490 > 9 12 Hf 0.83026451733422 0.57136259683251 0.58628506497555 178.490 > 9 13 Hf 0.16973548266578 0.32136259683251 0.91371493502445 178.490 > 13 14 Hf 0.66973548266578 0.32136259683251 0.91371493502445 178.490 > 13 15 Hf 0.16973548266578 0.82136259683251 0.91371493502445 178.490 > 13 16 Hf 0.66973548266578 0.82136259683251 0.91371493502445 178.490 > 13 17 As 0.17053962319021 0.10396908406411 0.43077069258705 74.922 > 17 18 As 0.67053962319021 0.10396908406411 0.43077069258705 74.922 > 17 19 As 0.17053962319021 0.60396908406411 0.43077069258705 74.922 > 17 20 As 0.67053962319021 0.60396908406411 0.43077069258705 74.922 > 17 21 As 0.32946037680979 0.35396908406411 0.06922930741295 74.922 > 21 22 As 0.82946037680979 0.35396908406411 0.06922930741295 74.922 > 21 23 As 0.32946037680979 0.85396908406411 0.06922930741295 74.922 > 21 24 As 0.82946037680979 0.85396908406411 0.06922930741295 74.922 > 21 25 As 0.32946037680979 0.39603091593589 0.56922930741295 74.922 > 25 26 As 0.82946037680979 0.39603091593589 0.56922930741295 74.922 > 25 27 As 0.32946037680979 0.89603091593589 0.56922930741295 74.922 > 25 28 As 0.82946037680979 0.89603091593589 0.56922930741295 74.922 > 25 29 As 0.17053962319021 0.14603091593589 0.93077069258705 74.922 > 29 30 As 0.67053962319021 0.14603091593589 0.93077069258705 74.922 > 29 31 As 0.17053962319021 0.64603091593589 0.93077069258705 74.922 > 29 32 As 0.67053962319021 0.64603091593589 0.93077069258705 74.922 > 29 33 As 0.02769475469563 0.37169172355163 0.41680920937957 74.922 > 33 34 As 0.52769475469563 0.37169172355163 0.41680920937957 74.922 > 33 35 As 0.02769475469563 0.87169172355163 0.41680920937957 74.922 > 33 36 As 0.52769475469563 0.87169172355163 0.41680920937957 74.922 > 33 37 As 0.47230524530437 0.12169172355163 0.08319079062043 74.922 > 37 38 As 0.97230524530437 0.12169172355163 0.08319079062043 74.922 > 37 39 As 0.47230524530437 0.62169172355163 0.08319079062043 74.922 > 37 40 As 0.97230524530437 0.62169172355163 0.08319079062043 74.922 > 37 41 As 0.47230524530437 0.12830827644837 0.58319079062043 74.922 > 41 42 As 0.97230524530437 0.12830827644837 0.58319079062043 74.922 > 41 43 As 0.47230524530437 0.62830827644837 0.58319079062043 74.922 > 41 44 As 0.97230524530437 0.62830827644837 0.58319079062043 74.922 > 41 45 As 0.02769475469563 0.37830827644837 0.91680920937957 74.922 > 45 46 As 0.52769475469563 0.37830827644837 0.91680920937957 74.922 > 45 47 As 0.02769475469563 0.87830827644837 0.91680920937957 74.922 > 45 48 As 0.52769475469563 0.87830827644837 0.91680920937957 74.922 > 45 49 As 0.17711001733233 0.38079218179782 0.26475896428535 74.922 > 49 50 As 0.67711001733233 0.38079218179782 0.26475896428535 74.922 > 49 51 As 0.17711001733233 0.88079218179782 0.26475896428535 74.922 > 49 52 As 0.67711001733233 0.88079218179782 0.26475896428535 74.922 > 49 53 As 0.32288998266767 0.13079218179782 0.23524103571465 74.922 > 53 54 As 0.82288998266767 0.13079218179782 0.23524103571465 74.922 > 53 55 As 0.32288998266767 0.63079218179782 0.23524103571465 74.922 > 53 56 As 0.82288998266767 0.63079218179782 0.23524103571465 74.922 > 53 57 As 0.32288998266767 0.11920781820218 0.73524103571465 74.922 > 57 58 As 0.82288998266767 0.11920781820218 0.73524103571465 74.922 > 57 59 As 0.32288998266767 0.61920781820218 0.73524103571465 74.922 > 57 60 As 0.82288998266767 0.61920781820218 0.73524103571465 74.922 > 57 61 As 0.17711001733233 0.36920781820218 0.76475896428535 74.922 > 61 62 As 0.67711001733233 0.36920781820218 0.76475896428535 74.922 > 61 63 As 0.17711001733233 0.86920781820218 0.76475896428535 74.922 > 61 64 As 0.67711001733233 0.86920781820218 0.76475896428535 74.922 > 61 65 Na 0.04084487246872 0.25405559149456 0.26189771613346 22.990 > 65 66 Na 0.54084487246872 0.25405559149456 0.26189771613346 22.990 > 65 67 Na 0.04084487246872 0.75405559149456 0.26189771613346 22.990 > 65 68 Na 0.54084487246872 0.75405559149456 0.26189771613346 22.990 > 65 69 Na 0.45915512753128 0.00405559149456 0.23810228386654 22.990 > 69 70 Na 0.95915512753128 0.00405559149456 0.23810228386654 22.990 > 69 71 Na 0.45915512753128 0.50405559149456 0.23810228386654 22.990 > 69 72 Na 0.95915512753128 0.50405559149456 0.23810228386654 22.990 > 69 73 Na 0.45915512753128 0.24594440850544 0.73810228386654 22.990 > 73 74 Na 0.95915512753128 0.24594440850544 0.73810228386654 22.990 > 73 75 Na 0.45915512753128 0.74594440850544 0.73810228386654 22.990 > 73 76 Na 0.95915512753128 0.74594440850544 0.73810228386654 22.990 > 73 77 Na 0.04084487246872 0.49594440850544 0.76189771613346 22.990 > 77 78 Na 0.54084487246872 0.49594440850544 0.76189771613346 22.990 > 77 79 Na 0.04084487246872 0.99594440850544 0.76189771613346 22.990 > 77 80 Na 0.54084487246872 0.99594440850544 0.76189771613346 22.990 > 77 81 Na 0.36886455987368 0.49369456245697 0.40709313767470 22.990 > 81 82 Na 0.86886455987368 0.49369456245697 0.40709313767470 22.990 > 81 83 Na 0.36886455987368 0.99369456245697 0.40709313767470 22.990 > 81 84 Na 0.86886455987368 0.99369456245697 0.40709313767470 22.990 > 81 85 Na 0.13113544012632 0.24369456245697 0.09290686232530 22.990 > 85 86 Na 0.63113544012632 0.24369456245697 0.09290686232530 22.990 > 85 87 Na 0.13113544012632 0.74369456245697 0.09290686232530 22.990 > 85 88 Na 0.63113544012632 0.74369456245697 0.09290686232530 22.990 > 85 89 Na 0.13113544012632 0.00630543754303 0.59290686232530 22.990 > 89 90 Na 0.63113544012632 0.00630543754303 0.59290686232530 22.990 > 89 91 Na 0.13113544012632 0.50630543754303 0.59290686232530 22.990 > 89 92 Na 0.63113544012632 0.50630543754303 0.59290686232530 22.990 > 89 93 Na 0.36886455987368 0.25630543754303 0.90709313767470 22.990 > 93 94 Na 0.86886455987368 0.25630543754303 0.90709313767470 22.990 > 93 95 Na 0.36886455987368 0.75630543754303 0.90709313767470 22.990 > 93 96 Na 0.86886455987368 0.75630543754303 0.90709313767470 22.990 > 93 97 Na 0.20134271344544 0.26395744964543 0.58399789950707 22.990 > 97 98 Na 0.70134271344543 0.26395744964543 0.58399789950707 22.990 > 97 99 Na 0.20134271344544 0.76395744964543 0.58399789950707 22.990 > 97 100 Na 0.70134271344543 0.76395744964543 0.58399789950707 22.990 > 97 101 Na 0.29865728655457 0.01395744964543 0.91600210049293 22.990 > 101 102 Na 0.79865728655457 0.01395744964543 0.91600210049293 22.990 > 101 103 Na 0.29865728655457 0.51395744964543 0.91600210049293 22.990 > 101 104 Na 0.79865728655457 0.51395744964543 0.91600210049293 22.990 > 101 105 Na 0.29865728655457 0.23604255035457 0.41600210049294 22.990 > 105 106 Na 0.79865728655457 0.23604255035457 0.41600210049294 22.990 > 105 107 Na 0.29865728655457 0.73604255035457 0.41600210049294 22.990 > 105 108 Na 0.79865728655457 0.73604255035457 0.41600210049294 22.990 > 105 109 Na 0.20134271344544 0.48604255035457 0.08399789950707 22.990 > 109 110 Na 0.70134271344543 0.48604255035457 0.08399789950707 22.990 > 109 111 Na 0.20134271344544 0.98604255035457 0.08399789950707 22.990 > 109 112 Na 0.70134271344543 0.98604255035457 0.08399789950707 22.990 > 109 113 Na 0.16011619211026 0.07793869512262 0.24331633464217 22.990 > 113 114 Na 0.66011619211026 0.07793869512262 0.24331633464217 22.990 > 113 115 Na 0.16011619211026 0.57793869512262 0.24331633464217 22.990 > 113 116 Na 0.66011619211026 0.57793869512262 0.24331633464217 22.990 > 113 117 Na 0.33988380788974 0.32793869512262 0.25668366535783 22.990 > 117 118 Na 0.83988380788974 0.32793869512262 0.25668366535783 22.990 > 117 119 Na 0.33988380788974 0.82793869512262 0.25668366535783 22.990 > 117 120 Na 0.83988380788974 0.82793869512262 0.25668366535783 22.990 > 117 121 Na 0.33988380788974 0.42206130487738 0.75668366535783 22.990 > 121 122 Na 0.83988380788974 0.42206130487738 0.75668366535783 22.990 > 121 123 Na 0.33988380788974 0.92206130487738 0.75668366535783 22.990 > 121 124 Na 0.83988380788974 0.92206130487738 0.75668366535783 22.990 > 121 125 Na 0.16011619211026 0.17206130487738 0.74331633464217 22.990 > 125 126 Na 0.66011619211026 0.17206130487738 0.74331633464217 22.990 > 125 127 Na 0.16011619211026 0.67206130487738 0.74331633464217 22.990 > 125 128 Na 0.66011619211026 0.67206130487738 0.74331633464217 22.990 > 125 129 Na 0.49814580755546 0.16802671147433 0.41868075077936 22.990 > 129 130 Na 0.99814580755546 0.16802671147433 0.41868075077936 22.990 > 129 131 Na 0.49814580755546 0.66802671147433 0.41868075077936 22.990 > 129 132 Na 0.99814580755546 0.66802671147433 0.41868075077936 22.990 > 129 133 Na 0.00185419244454 0.41802671147433 0.08131924922064 22.990 > 133 134 Na 0.50185419244454 0.41802671147433 0.08131924922064 22.990 > 133 135 Na 0.00185419244454 0.91802671147433 0.08131924922064 22.990 > 133 136 Na 0.50185419244454 0.91802671147433 0.08131924922064 22.990 > 133 137 Na 0.00185419244454 0.33197328852567 0.58131924922064 22.990 > 137 138 Na 0.50185419244454 0.33197328852567 0.58131924922064 22.990 > 137 139 Na 0.00185419244454 0.83197328852567 0.58131924922064 22.990 > 137 140 Na 0.50185419244454 0.83197328852567 0.58131924922064 22.990 > 137 141 Na 0.49814580755546 0.08197328852567 0.91868075077936 22.990 > 141 142 Na 0.99814580755546 0.08197328852567 0.91868075077936 22.990 > 141 143 Na 0.49814580755546 0.58197328852567 0.91868075077936 22.990 > 141 144 Na 0.99814580755546 0.58197328852567 0.91868075077936 22.990 > 141 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 7.6890995 0.0000000 -0.1644161 0.0000000 7.8965245 0.0000000 -0.1645448 0.0000000 7.7963240 -------------------------- Born effective charges -------------------------- 1 Hf 1.8419693 0.4955846 -0.0497782 0.3587303 1.7725934 0.6045655 0.0523622 0.8868862 1.9124630 2 Hf 1.8419693 -0.4955846 -0.0497782 -0.3587303 1.7725934 -0.6045655 0.0523622 -0.8868862 1.9124630 3 Hf 1.8419693 0.4955846 -0.0497782 0.3587303 1.7725934 0.6045655 0.0523622 0.8868862 1.9124630 4 Hf 1.8419693 -0.4955846 -0.0497782 -0.3587303 1.7725934 -0.6045655 0.0523622 -0.8868862 1.9124630 5 As -1.3954564 0.0114355 -0.8795783 0.1470254 -3.2190954 0.0047494 -0.9204417 -0.2346340 -2.5885041 6 As -1.3954564 -0.0114355 -0.8795783 -0.1470254 -3.2190954 -0.0047494 -0.9204417 0.2346340 -2.5885041 7 As -1.3954564 0.0114355 -0.8795783 0.1470254 -3.2190954 0.0047494 -0.9204417 -0.2346340 -2.5885041 8 As -1.3954564 -0.0114355 -0.8795783 -0.1470254 -3.2190954 -0.0047494 -0.9204417 0.2346340 -2.5885041 9 As -3.8005628 -0.8088261 0.1504932 -0.7468029 -2.2289239 0.1755109 -0.1639140 -0.0907554 -1.8542871 10 As -3.8005628 0.8088261 0.1504932 0.7468029 -2.2289239 -0.1755109 -0.1639140 0.0907554 -1.8542871 11 As -3.8005628 -0.8088261 0.1504932 -0.7468029 -2.2289239 0.1755109 -0.1639140 -0.0907554 -1.8542871 12 As -3.8005628 0.8088261 0.1504932 0.7468029 -2.2289239 -0.1755109 -0.1639140 0.0907554 -1.8542871 13 As -2.2580870 0.4378963 0.8244976 0.3319389 -2.0124881 -0.4578910 1.0832260 -0.5288903 -3.2127129 14 As -2.2580870 -0.4378963 0.8244976 -0.3319389 -2.0124881 0.4578910 1.0832260 0.5288903 -3.2127129 15 As -2.2580870 0.4378963 0.8244976 0.3319389 -2.0124881 -0.4578910 1.0832260 -0.5288903 -3.2127129 16 As -2.2580870 -0.4378963 0.8244976 -0.3319389 -2.0124881 0.4578910 1.0832260 0.5288903 -3.2127129 17 Na 0.9649783 0.0715255 0.2933743 0.1083527 1.2029994 0.1148250 0.2520940 0.1865311 1.2830073 18 Na 0.9649783 -0.0715255 0.2933743 -0.1083527 1.2029994 -0.1148250 0.2520940 -0.1865311 1.2830073 19 Na 0.9649783 0.0715255 0.2933743 0.1083527 1.2029994 0.1148250 0.2520940 0.1865311 1.2830073 20 Na 0.9649783 -0.0715255 0.2933743 -0.1083527 1.2029994 -0.1148250 0.2520940 -0.1865311 1.2830073 21 Na 1.4296467 -0.0466855 -0.1812524 0.0429893 0.9080835 -0.0490469 -0.1399683 -0.0826929 1.2008154 22 Na 1.4296467 0.0466855 -0.1812524 -0.0429893 0.9080835 0.0490469 -0.1399683 0.0826929 1.2008154 23 Na 1.4296467 -0.0466855 -0.1812524 0.0429893 0.9080835 -0.0490469 -0.1399683 -0.0826929 1.2008154 24 Na 1.4296467 0.0466855 -0.1812524 -0.0429893 0.9080835 0.0490469 -0.1399683 0.0826929 1.2008154 25 Na 1.0093352 -0.1137229 -0.1486692 -0.0348351 1.4751380 -0.2037255 -0.1610017 -0.0022747 1.1253380 26 Na 1.0093352 0.1137229 -0.1486692 0.0348351 1.4751380 0.2037255 -0.1610017 0.0022747 1.1253380 27 Na 1.0093352 -0.1137229 -0.1486692 -0.0348351 1.4751380 -0.2037255 -0.1610017 -0.0022747 1.1253380 28 Na 1.0093352 0.1137229 -0.1486692 0.0348351 1.4751380 0.2037255 -0.1610017 0.0022747 1.1253380 29 Na 1.0701772 0.0702588 0.1742427 0.1588527 0.9563041 -0.2571259 -0.1482943 -0.2338499 1.0128716 30 Na 1.0701772 -0.0702588 0.1742427 -0.1588527 0.9563041 0.2571259 -0.1482943 0.2338499 1.0128716 31 Na 1.0701772 0.0702588 0.1742427 0.1588527 0.9563041 -0.2571259 -0.1482943 -0.2338499 1.0128716 32 Na 1.0701772 -0.0702588 0.1742427 -0.1588527 0.9563041 0.2571259 -0.1482943 0.2338499 1.0128716 33 Na 1.1379995 0.1206688 -0.1833298 -0.1225751 1.1453892 -0.1565031 0.1459378 -0.0184923 1.1210089 34 Na 1.1379995 -0.1206688 -0.1833298 0.1225751 1.1453892 0.1565031 0.1459378 0.0184923 1.1210089 35 Na 1.1379995 0.1206688 -0.1833298 -0.1225751 1.1453892 -0.1565031 0.1459378 -0.0184923 1.1210089 36 Na 1.1379995 -0.1206688 -0.1833298 0.1225751 1.1453892 0.1565031 0.1459378 0.0184923 1.1210089 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000000 (zzz) -0.00000000 (zzz) -0.00000000 (zzz) Max drift of fc2: 0.00000000 (yy) 0.00000000 (yy) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 7 7 4 ] 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: 0.44, Number of G-points: 297, Lambda: 0.13 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/60) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 1.278 ( 0.000 0.000 0.000) 0.000 1.403 ( 0.000 0.000 0.000) 0.000 1.445 ( 0.000 0.000 0.000) 0.000 1.609 ( 0.000 0.000 0.000) 0.000 1.706 ( 0.000 0.000 0.000) 0.000 1.757 ( 0.000 0.000 0.000) 0.000 1.945 ( 0.000 0.000 0.000) 0.000 2.007 ( 0.000 0.000 0.000) 0.000 2.074 ( 0.000 0.000 0.000) 0.000 2.077 ( 0.000 0.000 0.000) 0.000 2.082 ( 0.000 0.000 0.000) 0.000 2.107 ( 0.000 0.000 0.000) 0.000 2.215 ( 0.000 0.000 0.000) 0.000 2.267 ( 0.000 0.000 0.000) 0.000 2.360 ( 0.000 0.000 0.000) 0.000 2.491 ( 0.000 0.000 0.000) 0.000 2.576 ( 0.000 0.000 0.000) 0.000 2.603 ( 0.000 0.000 0.000) 0.000 2.631 ( 0.000 0.000 0.000) 0.000 2.781 ( 0.000 0.000 0.000) 0.000 2.789 ( 0.000 0.000 0.000) 0.000 2.828 ( 0.000 0.000 0.000) 0.000 2.858 ( 0.000 0.000 0.000) 0.000 2.894 ( 0.000 0.000 0.000) 0.000 2.934 ( 0.000 0.000 0.000) 0.000 2.949 ( 0.000 0.000 0.000) 0.000 2.992 ( 0.000 0.000 0.000) 0.000 3.000 ( 0.000 0.000 0.000) 0.000 3.059 ( 0.000 0.000 0.000) 0.000 3.106 ( 0.000 0.000 0.000) 0.000 3.116 ( 0.000 0.000 0.000) 0.000 3.129 ( 0.000 0.000 0.000) 0.000 3.169 ( 0.000 0.000 0.000) 0.000 3.187 ( 0.000 0.000 0.000) 0.000 3.268 ( 0.000 0.000 0.000) 0.000 3.268 ( 0.000 0.000 0.000) 0.000 3.324 ( 0.000 0.000 0.000) 0.000 3.345 ( 0.000 0.000 0.000) 0.000 3.431 ( 0.000 0.000 0.000) 0.000 3.432 ( 0.000 0.000 0.000) 0.000 3.436 ( 0.000 0.000 0.000) 0.000 3.480 ( 0.000 0.000 0.000) 0.000 3.490 ( 0.000 0.000 0.000) 0.000 3.498 ( 0.000 0.000 0.000) 0.000 3.508 ( 0.000 0.000 0.000) 0.000 3.663 ( 0.000 0.000 0.000) 0.000 3.787 ( 0.000 0.000 0.000) 0.000 3.856 ( 0.000 0.000 0.000) 0.000 3.898 ( 0.000 0.000 0.000) 0.000 3.933 ( 0.000 0.000 0.000) 0.000 4.048 ( 0.000 0.000 0.000) 0.000 4.051 ( 0.000 0.000 0.000) 0.000 4.116 ( 0.000 0.000 0.000) 0.000 4.131 ( 0.000 0.000 0.000) 0.000 4.176 ( 0.000 0.000 0.000) 0.000 4.240 ( 0.000 0.000 0.000) 0.000 4.299 ( 0.000 0.000 0.000) 0.000 4.322 ( 0.000 0.000 0.000) 0.000 4.378 ( 0.000 0.000 0.000) 0.000 4.480 ( 0.000 0.000 0.000) 0.000 4.486 ( 0.000 0.000 0.000) 0.000 4.542 ( 0.000 0.000 0.000) 0.000 4.641 ( 0.000 0.000 0.000) 0.000 4.660 ( 0.000 0.000 0.000) 0.000 4.717 ( 0.000 0.000 0.000) 0.000 4.843 ( 0.000 0.000 0.000) 0.000 4.858 ( 0.000 0.000 0.000) 0.000 4.971 ( 0.000 0.000 0.000) 0.000 5.072 ( 0.000 0.000 0.000) 0.000 5.153 ( 0.000 0.000 0.000) 0.000 5.193 ( 0.000 0.000 0.000) 0.000 5.269 ( 0.000 0.000 0.000) 0.000 5.273 ( 0.000 0.000 0.000) 0.000 5.319 ( 0.000 0.000 0.000) 0.000 5.395 ( 0.000 0.000 0.000) 0.000 5.432 ( 0.000 0.000 0.000) 0.000 5.443 ( 0.000 0.000 0.000) 0.000 5.497 ( 0.000 0.000 0.000) 0.000 5.580 ( 0.000 0.000 0.000) 0.000 5.586 ( 0.000 0.000 0.000) 0.000 5.593 ( 0.000 0.000 0.000) 0.000 5.612 ( 0.000 0.000 0.000) 0.000 5.671 ( 0.000 0.000 0.000) 0.000 5.714 ( 0.000 0.000 0.000) 0.000 5.762 ( 0.000 0.000 0.000) 0.000 5.792 ( 0.000 0.000 0.000) 0.000 5.823 ( 0.000 0.000 0.000) 0.000 5.857 ( 0.000 0.000 0.000) 0.000 5.955 ( 0.000 0.000 0.000) 0.000 5.962 ( 0.000 0.000 0.000) 0.000 6.063 ( 0.000 0.000 0.000) 0.000 6.150 ( 0.000 0.000 0.000) 0.000 6.197 ( 0.000 0.000 0.000) 0.000 6.323 ( 0.000 0.000 0.000) 0.000 6.455 ( 0.000 0.000 0.000) 0.000 6.472 ( 0.000 0.000 0.000) 0.000 6.484 ( 0.000 0.000 0.000) 0.000 6.510 ( 0.000 0.000 0.000) 0.000 6.752 ( 0.000 0.000 0.000) 0.000 6.769 ( 0.000 0.000 0.000) 0.000 6.805 ( 0.000 0.000 0.000) 0.000 6.874 ( 0.000 0.000 0.000) 0.000 6.911 ( 0.000 0.000 0.000) 0.000 7.106 ( 0.000 0.000 0.000) 0.000 7.159 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/60) ======================= q-point: ( 0.14 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.366 ( 18.018 0.000 6.310) 19.091 0.435 ( 17.657 0.000 12.156) 21.437 0.740 ( 29.428 0.000 20.388) 35.801 1.274 ( 3.611 0.000 -13.514) 13.988 1.301 ( 0.133 0.000 -14.316) 14.317 1.421 ( -1.588 0.000 6.297) 6.494 1.648 ( -7.843 0.000 2.182) 8.141 1.661 ( -1.030 0.000 6.912) 6.988 1.800 ( -5.194 0.000 -3.646) 6.346 1.826 ( 4.429 0.000 3.381) 5.572 1.948 ( -5.748 0.000 -3.141) 6.551 1.970 ( -4.816 0.000 -2.636) 5.490 2.129 ( -9.237 0.000 1.343) 9.334 2.145 ( 7.794 0.000 -1.700) 7.978 2.180 ( 2.043 0.000 2.828) 3.489 2.241 ( 4.791 0.000 -2.326) 5.326 2.296 ( -6.322 0.000 3.587) 7.269 2.370 ( 5.370 0.000 5.065) 7.382 2.508 ( 2.040 0.000 -1.455) 2.506 2.537 ( -3.393 0.000 -0.651) 3.455 2.598 ( 0.253 0.000 -3.430) 3.439 2.623 ( -0.796 0.000 0.866) 1.177 2.792 ( -0.884 0.000 -1.028) 1.356 2.799 ( 0.707 0.000 -4.036) 4.098 2.846 ( -3.134 0.000 -4.380) 5.386 2.849 ( -0.836 0.000 4.751) 4.824 2.887 ( 2.804 0.000 -1.485) 3.173 2.898 ( 0.625 0.000 -3.474) 3.529 2.924 ( -5.869 0.000 0.781) 5.921 2.977 ( 3.272 0.000 4.781) 5.794 2.985 ( -2.023 0.000 -1.159) 2.331 3.055 ( -0.044 0.000 2.032) 2.032 3.082 ( -0.855 0.000 -3.669) 3.767 3.127 ( 0.167 0.000 1.045) 1.058 3.152 ( 0.945 0.000 0.101) 0.950 3.192 ( 2.025 0.000 -0.129) 2.030 3.248 ( 2.953 0.000 0.775) 3.053 3.264 ( 4.957 0.000 3.792) 6.241 3.315 ( 0.222 0.000 0.260) 0.342 3.342 ( 0.203 0.000 -0.303) 0.365 3.345 ( 1.939 0.000 1.538) 2.475 3.413 ( -2.045 0.000 -0.543) 2.116 3.417 ( -1.405 0.000 -1.345) 1.944 3.473 ( -1.830 0.000 0.455) 1.886 3.479 ( 1.105 0.000 -2.039) 2.319 3.496 ( 2.452 0.000 -0.845) 2.594 3.523 ( 3.620 0.000 0.790) 3.706 3.623 ( -1.391 0.000 5.001) 5.191 3.670 ( 0.805 0.000 0.291) 0.856 3.811 ( 3.104 0.000 -2.364) 3.902 3.886 ( -0.722 0.000 2.121) 2.241 3.935 ( -5.899 0.000 -1.559) 6.101 3.940 ( 0.908 0.000 3.061) 3.192 4.037 ( -2.321 0.000 1.017) 2.534 4.094 ( -5.586 0.000 1.415) 5.763 4.114 ( 0.132 0.000 -0.159) 0.206 4.140 ( -0.380 0.000 -4.092) 4.110 4.192 ( -0.942 0.000 4.066) 4.174 4.219 ( 1.288 0.000 -4.885) 5.052 4.287 ( -0.668 0.000 -0.249) 0.713 4.353 ( 1.831 0.000 0.595) 1.926 4.388 ( 0.343 0.000 0.711) 0.790 4.498 ( 1.220 0.000 1.164) 1.686 4.510 ( 3.597 0.000 -7.331) 8.166 4.581 ( 2.268 0.000 2.429) 3.323 4.640 ( 0.271 0.000 0.383) 0.469 4.686 ( 2.447 0.000 -1.339) 2.789 4.756 ( -0.952 0.000 1.441) 1.727 4.831 ( 0.515 0.000 -2.731) 2.779 4.899 ( 1.019 0.000 5.390) 5.485 4.927 ( -1.520 0.000 -5.945) 6.137 5.035 ( -2.995 0.000 -2.251) 3.747 5.129 ( -1.977 0.000 -1.219) 2.323 5.194 ( -0.841 0.000 0.800) 1.161 5.251 ( -2.675 0.000 -0.317) 2.694 5.305 ( -2.076 0.000 1.186) 2.391 5.314 ( -6.653 0.000 -0.043) 6.653 5.349 ( 1.263 0.000 -4.298) 4.480 5.434 ( 1.561 0.000 -0.015) 1.561 5.476 ( -0.351 0.000 -3.326) 3.345 5.502 ( -1.298 0.000 2.712) 3.006 5.554 ( -4.034 0.000 2.910) 4.974 5.589 ( 0.048 0.000 -2.553) 2.553 5.596 ( -0.286 0.000 1.299) 1.330 5.685 ( 1.148 0.000 0.789) 1.393 5.693 ( -1.405 0.000 -0.621) 1.536 5.734 ( -3.662 0.000 4.540) 5.833 5.751 ( -1.525 0.000 -2.646) 3.054 5.833 ( -0.660 0.000 -0.206) 0.692 5.838 ( -7.175 0.000 9.124) 11.607 5.901 ( 1.967 0.000 2.913) 3.515 5.972 ( 1.341 0.000 -1.150) 1.766 5.986 ( 3.017 0.000 0.282) 3.030 6.050 ( 2.848 0.000 -5.696) 6.368 6.105 ( -2.595 0.000 2.744) 3.777 6.319 ( 2.340 0.000 4.729) 5.276 6.330 ( -0.281 0.000 0.464) 0.543 6.445 ( -2.534 0.000 -2.176) 3.340 6.451 ( 0.507 0.000 -0.505) 0.716 6.463 ( 0.380 0.000 -0.797) 0.883 6.599 ( -5.784 0.000 8.261) 10.085 6.755 ( 1.841 0.000 -2.520) 3.121 6.832 ( 3.358 0.000 4.612) 5.705 6.837 ( -2.633 0.000 -1.056) 2.837 6.964 ( 4.412 0.000 1.553) 4.678 7.133 ( 2.085 0.000 1.026) 2.324 7.202 ( 3.703 0.000 1.135) 3.873 7.283 ( 9.341 0.000 -16.935) 19.341 ======================= Grid point 2 (3/60) ======================= q-point: ( 0.29 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.735 ( 17.566 0.000 5.764) 18.488 0.838 ( 15.587 0.000 10.501) 18.795 1.154 ( 3.456 0.000 -14.933) 15.328 1.156 ( 1.966 0.000 -10.328) 10.514 1.393 ( 20.013 0.000 13.059) 23.897 1.496 ( -12.064 0.000 2.585) 12.338 1.555 ( 7.643 0.000 5.696) 9.532 1.655 ( -4.689 0.000 2.043) 5.115 1.742 ( 0.501 0.000 -0.825) 0.965 1.832 ( -0.588 0.000 -1.694) 1.794 1.877 ( -3.436 0.000 -1.615) 3.796 1.940 ( 0.729 0.000 0.821) 1.098 1.996 ( -7.314 0.000 4.626) 8.654 2.192 ( -1.249 0.000 0.012) 1.249 2.220 ( -4.590 0.000 0.769) 4.654 2.246 ( 2.860 0.000 2.264) 3.648 2.283 ( 5.361 0.000 -4.412) 6.943 2.441 ( -4.649 0.000 -6.421) 7.927 2.466 ( -2.609 0.000 5.498) 6.086 2.540 ( -2.318 0.000 -2.642) 3.515 2.597 ( 7.733 0.000 0.986) 7.796 2.626 ( -0.079 0.000 -0.232) 0.245 2.700 ( -3.738 0.000 -0.788) 3.820 2.716 ( -5.245 0.000 -3.323) 6.209 2.776 ( -2.134 0.000 -0.188) 2.142 2.806 ( 0.822 0.000 -1.965) 2.130 2.888 ( -3.055 0.000 -0.892) 3.183 2.912 ( 2.959 0.000 -2.319) 3.759 2.945 ( 1.358 0.000 2.648) 2.976 2.998 ( 4.395 0.000 1.435) 4.623 3.036 ( 0.409 0.000 -3.664) 3.687 3.095 ( 2.932 0.000 1.472) 3.281 3.107 ( 1.930 0.000 3.232) 3.765 3.123 ( -0.049 0.000 1.768) 1.769 3.154 ( 0.075 0.000 0.850) 0.854 3.233 ( 1.125 0.000 -0.369) 1.184 3.282 ( 0.862 0.000 0.873) 1.227 3.291 ( -3.270 0.000 -2.894) 4.367 3.361 ( 1.282 0.000 1.343) 1.857 3.371 ( 3.964 0.000 1.086) 4.110 3.376 ( 1.137 0.000 -0.226) 1.159 3.405 ( -2.343 0.000 0.552) 2.407 3.420 ( 4.534 0.000 0.664) 4.583 3.448 ( -0.228 0.000 -2.451) 2.461 3.477 ( 3.274 0.000 1.708) 3.693 3.538 ( -0.356 0.000 0.371) 0.514 3.575 ( 1.551 0.000 0.103) 1.554 3.610 ( -0.820 0.000 -2.713) 2.835 3.681 ( -0.860 0.000 0.114) 0.868 3.808 ( 0.133 0.000 -3.999) 4.001 3.856 ( -4.539 0.000 2.326) 5.100 3.861 ( -0.995 0.000 -0.361) 1.059 3.988 ( -6.913 0.000 -0.531) 6.933 3.995 ( -1.342 0.000 1.751) 2.206 4.025 ( 0.534 0.000 5.318) 5.345 4.089 ( -2.541 0.000 -0.265) 2.554 4.127 ( 1.049 0.000 0.393) 1.121 4.197 ( 0.834 0.000 -1.527) 1.740 4.217 ( 0.645 0.000 0.629) 0.901 4.255 ( -0.862 0.000 -3.431) 3.538 4.372 ( 0.521 0.000 -0.897) 1.038 4.430 ( 2.746 0.000 2.294) 3.579 4.504 ( 1.659 0.000 -3.259) 3.657 4.546 ( 2.038 0.000 2.033) 2.878 4.642 ( 0.461 0.000 4.459) 4.483 4.663 ( 1.276 0.000 -0.071) 1.278 4.679 ( -1.127 0.000 -2.725) 2.949 4.731 ( -2.231 0.000 -0.960) 2.429 4.826 ( 1.803 0.000 -0.467) 1.863 4.831 ( -1.634 0.000 -6.353) 6.560 4.984 ( 2.041 0.000 5.580) 5.941 4.989 ( -0.596 0.000 1.021) 1.182 5.071 ( -2.501 0.000 -1.945) 3.169 5.156 ( -3.494 0.000 -0.094) 3.495 5.173 ( -4.696 0.000 -2.146) 5.163 5.233 ( -3.668 0.000 1.897) 4.129 5.279 ( -2.744 0.000 1.584) 3.169 5.312 ( -0.590 0.000 -3.747) 3.793 5.423 ( -1.134 0.000 -3.778) 3.945 5.439 ( -0.889 0.000 -0.108) 0.896 5.513 ( -3.130 0.000 0.695) 3.206 5.525 ( 0.502 0.000 2.652) 2.699 5.551 ( -2.159 0.000 -1.510) 2.635 5.608 ( 0.137 0.000 1.860) 1.865 5.664 ( -1.304 0.000 -0.717) 1.488 5.679 ( -2.748 0.000 0.300) 2.764 5.697 ( -0.623 0.000 -2.842) 2.910 5.746 ( 0.619 0.000 2.420) 2.498 5.796 ( -4.066 0.000 3.132) 5.132 5.807 ( -1.409 0.000 -0.396) 1.463 5.944 ( -0.308 0.000 1.848) 1.874 5.984 ( 0.496 0.000 -0.203) 0.536 6.034 ( 2.021 0.000 -0.294) 2.042 6.061 ( 4.338 0.000 -5.139) 6.725 6.101 ( -2.655 0.000 4.399) 5.139 6.305 ( -1.764 0.000 -0.597) 1.862 6.378 ( 2.325 0.000 1.215) 2.623 6.389 ( -0.859 0.000 -2.440) 2.587 6.474 ( 2.010 0.000 0.000) 2.010 6.488 ( 0.775 0.000 1.846) 2.002 6.593 ( -1.194 0.000 1.822) 2.178 6.763 ( 1.937 0.000 -2.830) 3.429 6.792 ( -1.195 0.000 -0.295) 1.230 6.939 ( 2.966 0.000 4.521) 5.408 7.062 ( 4.570 0.000 1.508) 4.812 7.195 ( 3.810 0.000 0.889) 3.912 7.264 ( 3.376 0.000 -7.647) 8.360 7.277 ( 2.314 0.000 2.370) 3.312 ======================= Grid point 3 (4/60) ======================= q-point: ( 0.43 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.022 ( 7.507 0.000 -0.356) 7.515 1.104 ( 5.832 0.000 -4.073) 7.113 1.154 ( 8.774 0.000 1.123) 8.846 1.166 ( 9.302 0.000 1.016) 9.358 1.333 ( -9.286 0.000 3.848) 10.052 1.396 ( -11.428 0.000 -4.221) 12.183 1.697 ( -4.035 0.000 -1.693) 4.376 1.760 ( 8.754 0.000 3.530) 9.439 1.820 ( 1.205 0.000 5.460) 5.591 1.861 ( 1.598 0.000 -1.704) 2.336 1.878 ( 2.506 0.000 1.769) 3.067 1.905 ( 3.681 0.000 4.546) 5.850 1.985 ( -0.913 0.000 -0.371) 0.986 2.123 ( -5.564 0.000 -0.787) 5.620 2.178 ( -0.263 0.000 0.681) 0.730 2.235 ( -3.640 0.000 -6.365) 7.332 2.323 ( 2.087 0.000 -2.288) 3.097 2.342 ( -0.116 0.000 2.954) 2.956 2.477 ( -0.978 0.000 -3.595) 3.726 2.479 ( -2.497 0.000 5.171) 5.742 2.575 ( -0.074 0.000 -1.401) 1.403 2.619 ( -0.222 0.000 2.222) 2.233 2.690 ( -3.714 0.000 -3.829) 5.334 2.729 ( 2.212 0.000 3.053) 3.770 2.776 ( -0.411 0.000 -3.810) 3.832 2.828 ( 7.905 0.000 3.777) 8.761 2.849 ( -0.189 0.000 -0.620) 0.648 2.928 ( -0.101 0.000 -1.130) 1.135 2.965 ( -2.445 0.000 0.377) 2.474 3.001 ( -0.013 0.000 -1.679) 1.679 3.077 ( 1.621 0.000 1.783) 2.409 3.099 ( 1.059 0.000 -1.900) 2.176 3.118 ( -2.750 0.000 1.400) 3.086 3.172 ( 2.114 0.000 1.434) 2.555 3.225 ( 0.236 0.000 0.630) 0.673 3.233 ( 0.136 0.000 -1.086) 1.094 3.247 ( 4.406 0.000 3.495) 5.624 3.274 ( -3.744 0.000 -2.273) 4.380 3.337 ( 1.132 0.000 -0.458) 1.221 3.345 ( -2.382 0.000 -2.311) 3.319 3.446 ( 0.854 0.000 0.573) 1.029 3.447 ( 0.072 0.000 -0.463) 0.469 3.473 ( 1.571 0.000 1.396) 2.102 3.481 ( 0.696 0.000 -0.463) 0.836 3.482 ( 6.235 0.000 -0.114) 6.236 3.544 ( 1.785 0.000 1.014) 2.053 3.575 ( -1.911 0.000 -3.294) 3.808 3.588 ( -2.705 0.000 0.930) 2.860 3.634 ( -2.167 0.000 0.039) 2.168 3.768 ( 0.209 0.000 -1.382) 1.398 3.800 ( -2.712 0.000 0.337) 2.733 3.862 ( -0.361 0.000 -1.767) 1.803 3.878 ( -3.648 0.000 0.885) 3.753 3.986 ( -1.107 0.000 1.555) 1.909 4.052 ( -1.332 0.000 -0.078) 1.334 4.109 ( 2.776 0.000 2.647) 3.836 4.133 ( -0.836 0.000 0.789) 1.149 4.212 ( 0.468 0.000 1.228) 1.314 4.212 ( -0.351 0.000 -2.798) 2.820 4.230 ( 0.770 0.000 -0.679) 1.027 4.356 ( -0.548 0.000 -1.186) 1.307 4.498 ( 2.151 0.000 1.422) 2.579 4.500 ( 0.563 0.000 -0.874) 1.040 4.589 ( 0.582 0.000 0.514) 0.776 4.617 ( -1.853 0.000 -1.887) 2.645 4.659 ( -0.965 0.000 0.810) 1.260 4.684 ( 0.891 0.000 0.689) 1.126 4.685 ( -0.999 0.000 -1.344) 1.675 4.776 ( -0.365 0.000 -1.402) 1.449 4.897 ( 3.476 0.000 3.518) 4.945 5.004 ( 0.455 0.000 0.618) 0.767 5.019 ( -0.894 0.000 -1.654) 1.880 5.046 ( -2.748 0.000 -0.772) 2.855 5.093 ( 1.071 0.000 1.471) 1.819 5.116 ( -1.232 0.000 0.605) 1.372 5.196 ( -1.812 0.000 0.133) 1.817 5.233 ( -3.248 0.000 -0.448) 3.279 5.275 ( -0.350 0.000 -1.327) 1.372 5.380 ( -0.706 0.000 -0.754) 1.033 5.429 ( -0.248 0.000 0.345) 0.425 5.458 ( -1.763 0.000 -1.825) 2.537 5.505 ( -0.825 0.000 -1.060) 1.343 5.553 ( 0.291 0.000 1.068) 1.107 5.629 ( 0.335 0.000 -2.226) 2.251 5.633 ( -1.821 0.000 2.611) 3.184 5.633 ( -1.253 0.000 0.019) 1.253 5.687 ( 0.638 0.000 -0.566) 0.853 5.769 ( 0.139 0.000 -0.107) 0.176 5.778 ( -0.701 0.000 1.665) 1.806 5.790 ( -0.346 0.000 -0.046) 0.349 5.935 ( -1.005 0.000 0.111) 1.011 5.984 ( -0.397 0.000 0.479) 0.622 6.048 ( 0.465 0.000 -0.500) 0.683 6.081 ( 4.007 0.000 -4.930) 6.353 6.098 ( -3.080 0.000 4.371) 5.347 6.293 ( -0.186 0.000 1.403) 1.416 6.353 ( -0.403 0.000 -2.494) 2.526 6.436 ( 2.677 0.000 0.741) 2.778 6.499 ( -1.116 0.000 0.701) 1.318 6.502 ( 1.042 0.000 -0.040) 1.043 6.592 ( -0.105 0.000 0.220) 0.244 6.752 ( -0.369 0.000 -0.485) 0.610 6.797 ( 1.030 0.000 -0.444) 1.122 7.009 ( 1.072 0.000 1.906) 2.186 7.129 ( 1.681 0.000 0.628) 1.794 7.247 ( 1.039 0.000 -2.619) 2.817 7.262 ( 2.832 0.000 -0.073) 2.833 7.315 ( -0.292 0.000 1.748) 1.772 ======================= Grid point 7 (5/60) ======================= q-point: ( 0.00 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.387 ( 0.000 19.705 0.000) 19.705 0.425 ( 0.000 21.735 0.000) 21.735 0.566 ( 0.000 27.796 0.000) 27.796 1.279 ( 0.000 -0.907 0.000) 0.907 1.314 ( 0.000 -6.816 0.000) 6.816 1.492 ( 0.000 2.843 0.000) 2.843 1.517 ( 0.000 -6.720 0.000) 6.720 1.656 ( 0.000 -5.541 0.000) 5.541 1.735 ( 0.000 -2.182 0.000) 2.182 1.832 ( 0.000 -10.476 0.000) 10.476 2.004 ( 0.000 -5.852 0.000) 5.852 2.033 ( 0.000 -2.454 0.000) 2.454 2.070 ( 0.000 -2.522 0.000) 2.522 2.082 ( 0.000 0.061 0.000) 0.061 2.200 ( 0.000 -2.623 0.000) 2.623 2.234 ( 0.000 4.959 0.000) 4.959 2.261 ( 0.000 0.392 0.000) 0.392 2.365 ( 0.000 -5.874 0.000) 5.874 2.409 ( 0.000 3.638 0.000) 3.638 2.565 ( 0.000 -3.397 0.000) 3.397 2.643 ( 0.000 0.965 0.000) 0.965 2.665 ( 0.000 -1.120 0.000) 1.120 2.710 ( 0.000 -1.584 0.000) 1.584 2.823 ( 0.000 -2.393 0.000) 2.393 2.830 ( 0.000 -4.768 0.000) 4.768 2.864 ( 0.000 -2.503 0.000) 2.503 2.896 ( 0.000 -2.186 0.000) 2.186 2.940 ( 0.000 -5.464 0.000) 5.464 2.940 ( 0.000 -1.145 0.000) 1.145 2.972 ( 0.000 4.862 0.000) 4.862 2.987 ( 0.000 -3.322 0.000) 3.322 3.016 ( 0.000 -0.513 0.000) 0.513 3.080 ( 0.000 -1.393 0.000) 1.393 3.102 ( 0.000 -3.415 0.000) 3.415 3.116 ( 0.000 -1.032 0.000) 1.032 3.127 ( 0.000 -4.990 0.000) 4.990 3.186 ( 0.000 0.310 0.000) 0.310 3.249 ( 0.000 -1.160 0.000) 1.160 3.303 ( 0.000 -1.264 0.000) 1.264 3.304 ( 0.000 -2.361 0.000) 2.361 3.368 ( 0.000 -0.808 0.000) 0.808 3.413 ( 0.000 2.941 0.000) 2.941 3.467 ( 0.000 4.426 0.000) 4.426 3.469 ( 0.000 2.087 0.000) 2.087 3.505 ( 0.000 1.907 0.000) 1.907 3.518 ( 0.000 0.651 0.000) 0.651 3.590 ( 0.000 7.613 0.000) 7.613 3.604 ( 0.000 3.202 0.000) 3.202 3.689 ( 0.000 1.621 0.000) 1.621 3.824 ( 0.000 4.037 0.000) 4.037 3.831 ( 0.000 -2.033 0.000) 2.033 3.923 ( 0.000 2.165 0.000) 2.165 3.986 ( 0.000 1.871 0.000) 1.871 3.993 ( 0.000 -2.452 0.000) 2.452 4.095 ( 0.000 1.231 0.000) 1.231 4.127 ( 0.000 -3.832 0.000) 3.832 4.144 ( 0.000 0.622 0.000) 0.622 4.191 ( 0.000 1.605 0.000) 1.605 4.205 ( 0.000 -1.984 0.000) 1.984 4.297 ( 0.000 -1.000 0.000) 1.000 4.343 ( 0.000 1.937 0.000) 1.937 4.459 ( 0.000 -1.639 0.000) 1.639 4.470 ( 0.000 -1.310 0.000) 1.310 4.545 ( 0.000 4.519 0.000) 4.519 4.553 ( 0.000 0.652 0.000) 0.652 4.607 ( 0.000 -2.571 0.000) 2.571 4.688 ( 0.000 -3.885 0.000) 3.885 4.713 ( 0.000 4.281 0.000) 4.281 4.806 ( 0.000 -2.594 0.000) 2.594 4.884 ( 0.000 -1.455 0.000) 1.455 5.022 ( 0.000 3.403 0.000) 3.403 5.075 ( 0.000 -0.191 0.000) 0.191 5.154 ( 0.000 -3.155 0.000) 3.155 5.231 ( 0.000 -2.099 0.000) 2.099 5.278 ( 0.000 -0.433 0.000) 0.433 5.296 ( 0.000 0.087 0.000) 0.087 5.347 ( 0.000 3.446 0.000) 3.446 5.423 ( 0.000 2.170 0.000) 2.170 5.430 ( 0.000 -0.132 0.000) 0.132 5.484 ( 0.000 2.764 0.000) 2.764 5.529 ( 0.000 0.647 0.000) 0.647 5.577 ( 0.000 -0.961 0.000) 0.961 5.582 ( 0.000 0.723 0.000) 0.723 5.619 ( 0.000 0.570 0.000) 0.570 5.674 ( 0.000 0.385 0.000) 0.385 5.706 ( 0.000 4.676 0.000) 4.676 5.747 ( 0.000 -1.500 0.000) 1.500 5.788 ( 0.000 -0.461 0.000) 0.461 5.807 ( 0.000 -1.476 0.000) 1.476 5.849 ( 0.000 -0.609 0.000) 0.609 5.909 ( 0.000 -2.320 0.000) 2.320 5.989 ( 0.000 1.001 0.000) 1.001 6.003 ( 0.000 -3.816 0.000) 3.816 6.058 ( 0.000 -2.150 0.000) 2.150 6.177 ( 0.000 2.468 0.000) 2.468 6.237 ( 0.000 3.049 0.000) 3.049 6.405 ( 0.000 2.224 0.000) 2.224 6.457 ( 0.000 -1.371 0.000) 1.371 6.505 ( 0.000 2.382 0.000) 2.382 6.540 ( 0.000 2.552 0.000) 2.552 6.660 ( 0.000 -1.395 0.000) 1.395 6.765 ( 0.000 0.641 0.000) 0.641 6.785 ( 0.000 0.735 0.000) 0.735 6.812 ( 0.000 0.791 0.000) 0.791 6.888 ( 0.000 -0.161 0.000) 0.161 6.952 ( 0.000 1.911 0.000) 1.911 7.080 ( 0.000 -2.433 0.000) 2.433 7.147 ( 0.000 -1.227 0.000) 1.227 ======================= Grid point 8 (6/60) ======================= q-point: ( 0.14 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 99 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.479 ( 12.545 9.777 6.013) 17.003 0.539 ( 12.896 14.439 3.468) 19.667 0.976 ( 20.931 17.692 16.143) 31.807 1.213 ( 1.315 -4.228 -13.662) 14.361 1.314 ( 6.766 1.431 -8.372) 10.859 1.452 ( -3.338 1.112 2.803) 4.499 1.572 ( -0.570 -4.505 6.443) 7.882 1.655 ( -1.634 -2.572 1.493) 3.393 1.717 ( -0.299 -4.479 -2.694) 5.235 1.816 ( -0.839 -4.366 0.593) 4.486 1.929 ( -4.548 -1.094 -0.274) 4.686 1.983 ( -2.794 -4.062 -1.723) 5.222 2.032 ( -2.119 -7.681 2.801) 8.446 2.108 ( -6.406 1.541 -0.852) 6.643 2.182 ( 3.566 -2.815 -3.369) 5.656 2.238 ( 3.867 2.020 -3.240) 5.435 2.350 ( 0.259 -0.769 4.503) 4.575 2.361 ( -0.610 -6.237 -2.048) 6.592 2.387 ( 2.437 3.325 2.236) 4.690 2.538 ( -3.763 -3.146 1.003) 5.006 2.619 ( -3.764 -0.967 0.453) 3.912 2.637 ( 0.642 -0.484 -0.752) 1.101 2.751 ( -0.920 -1.249 -3.893) 4.191 2.769 ( 2.721 -4.113 1.317) 5.104 2.824 ( -1.692 -3.754 -4.080) 5.796 2.847 ( -1.002 -4.073 -3.111) 5.222 2.875 ( -3.887 0.846 2.196) 4.544 2.893 ( -1.820 0.574 -1.812) 2.632 2.923 ( 0.569 0.696 -1.826) 2.035 2.973 ( -1.893 -0.426 -1.668) 2.559 2.985 ( 3.803 -1.223 0.843) 4.083 3.031 ( -2.556 -1.833 -1.603) 3.530 3.066 ( 1.433 -2.423 3.236) 4.289 3.080 ( 2.470 -1.903 3.012) 4.335 3.139 ( 0.715 -1.100 2.859) 3.146 3.173 ( 0.115 -0.413 -2.000) 2.046 3.213 ( 2.199 -1.785 1.392) 3.156 3.249 ( 1.312 -1.828 -0.059) 2.251 3.300 ( -0.930 -1.082 2.732) 3.082 3.343 ( 0.726 -0.335 0.109) 0.807 3.374 ( 2.784 -0.708 -1.223) 3.122 3.418 ( -1.068 2.028 -0.270) 2.308 3.445 ( 0.282 -0.172 -0.205) 0.389 3.468 ( -0.887 4.820 1.346) 5.083 3.528 ( 2.539 0.538 -0.458) 2.636 3.539 ( 1.062 3.041 0.177) 3.226 3.590 ( 0.230 4.464 -1.072) 4.597 3.614 ( -1.044 0.849 1.278) 1.856 3.683 ( -0.215 1.294 0.250) 1.335 3.829 ( 2.395 2.729 -3.331) 4.927 3.881 ( 2.679 -1.959 2.657) 4.251 3.926 ( -2.456 0.465 -0.769) 2.615 3.975 ( -2.002 2.744 1.252) 3.620 4.022 ( 3.702 -2.533 -0.393) 4.502 4.050 ( -3.633 1.211 0.433) 3.854 4.099 ( -2.913 -0.710 -0.565) 3.051 4.158 ( -1.339 -2.173 3.567) 4.386 4.193 ( -0.755 1.885 0.576) 2.110 4.204 ( -1.324 -0.430 -0.381) 1.443 4.278 ( 0.219 -1.864 -1.483) 2.392 4.358 ( 1.134 0.544 0.592) 1.390 4.423 ( -1.745 1.610 -0.149) 2.379 4.467 ( 0.480 0.076 -0.870) 0.997 4.541 ( 1.876 -3.414 0.568) 3.937 4.573 ( 0.879 1.326 -0.946) 1.851 4.647 ( 1.751 1.804 0.317) 2.534 4.674 ( -0.247 -4.675 -1.069) 4.802 4.739 ( 2.088 3.454 -0.876) 4.130 4.824 ( 1.002 -2.182 0.643) 2.485 4.882 ( -0.079 -0.022 0.848) 0.852 4.983 ( -1.360 2.923 -1.606) 3.602 5.056 ( -2.158 1.733 -1.333) 3.072 5.149 ( -1.608 -0.475 -0.667) 1.805 5.189 ( -2.734 0.292 -2.352) 3.618 5.219 ( -1.794 -1.635 -0.104) 2.429 5.304 ( -1.612 0.028 1.814) 2.427 5.311 ( -3.631 0.291 -0.301) 3.655 5.365 ( -4.037 2.060 0.122) 4.534 5.433 ( 1.650 0.781 -2.213) 2.869 5.516 ( -1.004 1.013 -3.301) 3.596 5.528 ( -0.590 1.930 2.014) 2.851 5.544 ( -1.847 0.276 3.823) 4.255 5.594 ( -0.158 -0.572 -2.283) 2.359 5.608 ( -1.659 1.041 -0.042) 1.959 5.675 ( -0.338 -0.634 0.901) 1.152 5.706 ( -3.645 -0.671 -0.206) 3.712 5.727 ( -1.442 0.705 3.946) 4.260 5.743 ( -0.430 0.956 -0.785) 1.310 5.820 ( -0.163 -0.583 0.256) 0.658 5.823 ( -1.551 -1.270 -0.969) 2.227 5.924 ( 0.492 -1.051 0.076) 1.163 5.985 ( -0.367 0.750 -0.959) 1.272 6.004 ( 0.872 1.152 1.473) 2.064 6.048 ( 2.840 -1.192 -2.660) 4.069 6.152 ( -1.029 5.102 1.883) 5.534 6.328 ( 2.879 0.884 3.358) 4.511 6.360 ( -1.977 2.857 0.187) 3.479 6.446 ( 0.704 -0.737 -1.099) 1.499 6.468 ( -3.084 2.134 -1.378) 3.995 6.497 ( -0.479 3.382 -1.201) 3.621 6.627 ( -5.243 2.194 7.166) 9.147 6.742 ( 1.339 -1.742 -2.529) 3.350 6.798 ( 0.202 -1.202 1.797) 2.171 6.862 ( 1.350 1.265 1.333) 2.280 6.974 ( 3.402 0.733 0.600) 3.531 7.040 ( 7.683 -6.761 -3.730) 10.893 7.186 ( 3.608 -1.791 0.204) 4.033 7.187 ( 8.801 -4.578 -1.680) 10.061 ======================= Grid point 9 (7/60) ======================= q-point: ( 0.29 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 99 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.813 ( 14.676 3.011 8.497) 17.224 0.837 ( 15.340 6.481 5.704) 17.603 1.107 ( 5.154 -0.240 -10.735) 11.911 1.264 ( 2.999 6.404 -13.171) 14.950 1.464 ( 4.686 3.822 6.585) 8.940 1.511 ( 3.357 -2.717 6.076) 7.455 1.559 ( -1.610 6.364 5.943) 8.855 1.644 ( 0.811 -1.449 2.006) 2.604 1.702 ( 2.100 -3.584 -0.622) 4.200 1.810 ( -0.232 -2.195 -2.556) 3.377 1.872 ( -2.071 -0.353 2.070) 2.949 1.953 ( 0.401 0.368 2.932) 2.982 2.011 ( -5.175 1.705 1.295) 5.601 2.078 ( 2.385 -8.811 2.931) 9.587 2.172 ( -0.657 -2.771 -2.661) 3.898 2.255 ( 0.416 -0.044 -0.731) 0.842 2.274 ( 0.828 -4.542 -5.227) 6.974 2.378 ( -0.820 -2.139 1.566) 2.775 2.484 ( -3.055 -1.995 0.942) 3.768 2.524 ( -1.188 -0.382 1.388) 1.867 2.568 ( 4.840 -3.478 1.742) 6.209 2.638 ( -0.686 1.182 -3.650) 3.898 2.697 ( -5.727 0.297 -1.624) 5.960 2.712 ( -1.682 -0.955 -1.871) 2.691 2.761 ( -4.742 -2.669 -1.107) 5.553 2.804 ( 1.163 -4.959 -1.170) 5.226 2.823 ( -2.985 1.671 -2.812) 4.428 2.890 ( 1.897 -1.670 0.598) 2.597 2.937 ( 1.584 -6.592 2.153) 7.113 2.965 ( 0.500 0.093 1.882) 1.949 3.003 ( 2.555 -1.743 -2.020) 3.694 3.027 ( 0.781 -3.306 -1.481) 3.706 3.109 ( -2.600 -0.251 -0.214) 2.621 3.116 ( 0.019 -1.451 0.523) 1.543 3.179 ( 3.521 -0.821 2.425) 4.354 3.204 ( 3.053 -3.826 2.026) 5.297 3.247 ( 1.409 -2.954 -1.943) 3.806 3.293 ( -0.382 -0.957 -0.646) 1.216 3.302 ( 1.825 0.039 1.531) 2.382 3.359 ( 2.528 0.772 1.002) 2.827 3.400 ( -0.086 0.329 -1.269) 1.314 3.419 ( 0.994 -0.080 -0.242) 1.026 3.441 ( -1.264 1.119 1.191) 2.066 3.467 ( 0.912 5.599 -0.164) 5.675 3.529 ( -1.017 0.634 0.844) 1.466 3.557 ( 0.652 -0.469 -2.765) 2.879 3.595 ( -1.008 -0.506 -0.791) 1.378 3.611 ( 1.717 3.631 1.079) 4.159 3.689 ( -0.207 0.587 1.243) 1.390 3.817 ( -0.589 2.304 -2.183) 3.228 3.864 ( -1.659 2.078 -1.826) 3.226 3.917 ( -3.040 1.896 -0.953) 3.707 3.963 ( -2.332 -0.373 1.224) 2.660 3.990 ( -0.299 -1.108 1.451) 1.850 4.052 ( -1.468 1.176 1.001) 2.130 4.080 ( 1.074 -0.208 1.679) 2.004 4.147 ( -2.919 2.239 0.971) 3.805 4.171 ( -1.078 -2.494 2.966) 4.022 4.201 ( 0.871 -0.760 -0.688) 1.346 4.260 ( -0.052 0.333 -2.895) 2.914 4.379 ( 0.367 0.695 -0.134) 0.797 4.423 ( 1.529 -0.530 -0.124) 1.623 4.490 ( 2.781 -0.438 -0.029) 2.816 4.576 ( -0.081 -1.105 -0.480) 1.207 4.584 ( 0.557 -3.248 2.254) 3.992 4.638 ( 0.582 -4.556 -2.060) 5.034 4.686 ( 0.085 2.892 -0.121) 2.896 4.740 ( -0.193 3.444 -0.360) 3.468 4.823 ( -0.541 -0.169 -2.264) 2.334 4.874 ( -0.506 1.218 -0.478) 1.403 4.993 ( 1.063 1.401 3.221) 3.670 5.012 ( -1.616 1.173 -0.361) 2.029 5.075 ( -2.432 0.738 -2.239) 3.387 5.161 ( -1.996 1.120 -1.261) 2.613 5.171 ( -2.034 -0.608 -0.237) 2.136 5.233 ( -4.783 0.493 2.026) 5.218 5.292 ( -1.552 0.844 0.844) 1.958 5.303 ( -3.226 -0.068 -0.749) 3.313 5.433 ( 0.050 0.837 -1.865) 2.045 5.458 ( -0.419 -0.875 -3.776) 3.898 5.500 ( -2.767 1.193 -0.533) 3.060 5.540 ( -2.543 -0.404 -1.178) 2.831 5.563 ( -0.651 2.288 2.081) 3.161 5.594 ( -0.876 -0.749 1.513) 1.902 5.667 ( -1.762 -0.523 0.348) 1.870 5.680 ( -0.798 -0.079 0.729) 1.084 5.701 ( -1.380 1.188 0.445) 1.874 5.759 ( -0.445 0.755 1.870) 2.065 5.784 ( -2.055 -0.787 -0.163) 2.207 5.799 ( -0.931 -0.714 -0.285) 1.208 5.932 ( 1.006 -0.295 -0.415) 1.127 5.995 ( 0.737 0.834 0.141) 1.122 6.033 ( 1.048 0.190 -0.178) 1.080 6.073 ( 1.681 -0.998 -0.876) 2.142 6.160 ( -0.875 6.222 1.432) 6.444 6.325 ( -2.227 2.111 -0.250) 3.078 6.374 ( 1.330 0.489 -0.115) 1.422 6.412 ( -0.109 1.504 -1.446) 2.089 6.476 ( 1.919 0.096 0.556) 2.000 6.508 ( 0.883 2.077 1.317) 2.614 6.621 ( -1.121 2.559 1.727) 3.284 6.744 ( 2.052 -3.311 -2.520) 4.639 6.792 ( -0.933 1.688 0.098) 1.931 6.926 ( 2.311 -1.285 2.837) 3.879 7.052 ( 3.884 -1.043 1.086) 4.166 7.129 ( 5.365 -4.600 0.055) 7.067 7.240 ( 3.408 -2.141 -2.508) 4.742 7.265 ( 2.470 -2.226 0.386) 3.348 ======================= Grid point 10 (8/60) ======================= q-point: ( 0.43 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 99 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.064 ( 6.033 4.037 -0.414) 7.271 1.098 ( 5.806 -1.202 3.605) 6.939 1.185 ( 12.244 4.783 0.184) 13.147 1.229 ( 6.987 6.126 -5.636) 10.868 1.369 ( -9.827 3.476 3.311) 10.937 1.423 ( -9.584 1.673 -2.634) 10.079 1.626 ( -0.188 -5.079 2.108) 5.502 1.660 ( -1.814 -4.272 -3.260) 5.672 1.813 ( 3.693 -2.388 0.196) 4.402 1.870 ( 4.817 1.547 4.803) 6.976 1.925 ( -0.924 1.506 -0.224) 1.781 1.939 ( 0.644 0.644 4.644) 4.733 2.028 ( 1.927 3.259 0.477) 3.816 2.107 ( 0.240 -1.949 2.585) 3.247 2.159 ( 0.271 -3.449 1.417) 3.739 2.227 ( -0.555 -1.032 -7.213) 7.307 2.314 ( 0.408 0.968 -2.737) 2.931 2.330 ( -0.136 -1.346 3.026) 3.315 2.441 ( 0.543 -1.123 -1.111) 1.670 2.507 ( -2.953 -0.274 2.490) 3.873 2.569 ( -0.996 -2.073 0.497) 2.353 2.589 ( -3.032 -0.789 -0.332) 3.150 2.631 ( -3.505 -4.242 -3.756) 6.663 2.695 ( 1.393 -3.190 2.025) 4.027 2.747 ( 0.429 -2.852 -2.916) 4.102 2.815 ( 0.267 -2.602 0.763) 2.725 2.820 ( 6.820 -0.780 2.776) 7.404 2.910 ( -0.442 -2.695 -0.828) 2.853 2.950 ( -0.731 -2.202 1.504) 2.765 2.969 ( -1.358 -5.485 -1.203) 5.778 3.016 ( -2.139 -2.765 -1.258) 3.715 3.052 ( -0.444 -4.444 -1.270) 4.643 3.083 ( 2.787 -1.663 2.864) 4.328 3.108 ( 0.177 -1.784 -0.684) 1.919 3.200 ( -0.693 -1.917 -0.355) 2.069 3.255 ( 1.570 -0.930 1.552) 2.396 3.268 ( 0.805 -2.862 -2.045) 3.609 3.301 ( -0.081 1.041 -0.365) 1.106 3.330 ( 2.365 -3.409 -0.320) 4.161 3.358 ( -1.101 2.858 0.708) 3.143 3.395 ( -1.519 2.529 -2.938) 4.163 3.435 ( 1.516 -0.682 1.247) 2.078 3.456 ( 2.848 -1.243 1.884) 3.634 3.489 ( 0.111 1.352 1.031) 1.704 3.538 ( 0.725 1.608 -0.173) 1.772 3.541 ( 0.159 -0.604 -1.202) 1.355 3.564 ( -1.159 -0.293 -0.705) 1.388 3.614 ( -2.083 1.366 -0.255) 2.504 3.677 ( -1.237 4.643 0.374) 4.819 3.799 ( 0.875 3.120 -0.802) 3.339 3.821 ( -1.518 1.873 -0.830) 2.549 3.877 ( -0.843 0.518 0.171) 1.004 3.894 ( -3.098 1.842 -0.368) 3.623 4.012 ( 0.432 -0.333 -0.173) 0.572 4.053 ( -0.350 2.833 1.396) 3.178 4.101 ( -0.533 -1.824 -0.496) 1.964 4.149 ( 0.995 2.168 3.446) 4.191 4.194 ( -0.628 -1.860 2.468) 3.154 4.201 ( 0.755 -1.502 -1.500) 2.252 4.232 ( -0.039 1.211 -2.131) 2.452 4.367 ( -0.384 1.144 -1.043) 1.595 4.456 ( 1.718 -1.860 0.061) 2.533 4.530 ( 1.161 0.235 0.234) 1.208 4.554 ( -1.130 -4.195 -0.654) 4.393 4.594 ( -0.519 -1.668 -0.086) 1.749 4.628 ( -0.665 -2.449 -1.022) 2.735 4.684 ( 1.441 2.259 1.258) 2.960 4.732 ( -1.358 2.985 -1.422) 3.574 4.810 ( 0.988 2.684 0.436) 2.893 4.879 ( -0.003 -2.595 1.156) 2.841 4.980 ( -1.436 -0.602 -0.432) 1.616 5.009 ( -0.598 -1.086 -1.059) 1.631 5.059 ( 0.350 1.131 0.804) 1.431 5.126 ( -0.285 3.184 0.057) 3.198 5.151 ( -0.111 3.025 0.335) 3.046 5.198 ( -1.614 0.153 0.825) 1.820 5.248 ( -2.279 0.854 -0.344) 2.459 5.276 ( -0.673 0.326 0.248) 0.788 5.401 ( -0.322 2.084 -1.741) 2.735 5.426 ( -0.933 -1.655 -1.280) 2.291 5.460 ( -0.855 -2.145 -0.543) 2.372 5.486 ( -1.735 1.505 -0.571) 2.367 5.564 ( -0.128 0.321 -0.124) 0.367 5.601 ( -0.390 -0.246 1.267) 1.348 5.645 ( -1.011 0.674 0.125) 1.222 5.672 ( -0.102 2.078 0.176) 2.088 5.705 ( -0.072 1.349 1.125) 1.758 5.743 ( -0.383 -1.577 -1.441) 2.170 5.777 ( -0.574 -0.127 1.301) 1.428 5.794 ( 0.102 -0.135 0.046) 0.175 5.940 ( 0.409 0.635 -0.209) 0.784 5.999 ( -0.653 1.118 0.555) 1.409 6.035 ( 0.126 -0.464 -0.486) 0.684 6.083 ( 0.530 -0.589 -0.698) 1.057 6.152 ( -0.413 4.962 0.115) 4.980 6.308 ( -0.530 1.554 1.241) 2.058 6.359 ( -0.244 0.776 -2.091) 2.244 6.448 ( 2.653 1.080 0.400) 2.892 6.498 ( -0.335 0.322 0.465) 0.657 6.528 ( 0.382 2.023 0.359) 2.089 6.620 ( -0.151 2.637 0.208) 2.650 6.758 ( 0.866 -3.837 -0.304) 3.945 6.781 ( -0.122 2.971 -0.429) 3.004 6.975 ( 0.865 -2.897 1.129) 3.227 7.108 ( 1.492 -2.042 0.457) 2.570 7.208 ( 2.773 -2.903 0.577) 4.057 7.254 ( 1.359 -1.683 -2.079) 3.000 7.294 ( -0.121 -2.283 1.285) 2.623 ======================= Grid point 14 (9/60) ======================= q-point: ( 0.00 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.747 ( 0.000 17.348 0.000) 17.348 0.828 ( 0.000 19.976 0.000) 19.976 1.031 ( 0.000 19.039 0.000) 19.039 1.180 ( 0.000 -5.904 0.000) 5.904 1.218 ( 0.000 -4.007 0.000) 4.007 1.391 ( 0.000 -7.884 0.000) 7.884 1.540 ( 0.000 -4.969 0.000) 4.969 1.541 ( 0.000 1.733 0.000) 1.733 1.594 ( 0.000 -12.863 0.000) 12.863 1.657 ( 0.000 -6.276 0.000) 6.276 1.881 ( 0.000 -6.364 0.000) 6.364 1.946 ( 0.000 -6.354 0.000) 6.354 2.003 ( 0.000 -3.278 0.000) 3.278 2.049 ( 0.000 -1.300 0.000) 1.300 2.139 ( 0.000 -2.320 0.000) 2.320 2.299 ( 0.000 3.099 0.000) 3.099 2.311 ( 0.000 2.592 0.000) 2.592 2.403 ( 0.000 7.402 0.000) 7.402 2.414 ( 0.000 -4.015 0.000) 4.015 2.530 ( 0.000 -0.507 0.000) 0.507 2.575 ( 0.000 -4.222 0.000) 4.222 2.658 ( 0.000 1.485 0.000) 1.485 2.683 ( 0.000 -2.894 0.000) 2.894 2.690 ( 0.000 -5.988 0.000) 5.988 2.733 ( 0.000 -4.909 0.000) 4.909 2.822 ( 0.000 -4.768 0.000) 4.768 2.844 ( 0.000 -3.717 0.000) 3.717 2.866 ( 0.000 -4.485 0.000) 4.485 2.936 ( 0.000 2.237 0.000) 2.237 2.952 ( 0.000 -0.998 0.000) 0.998 2.986 ( 0.000 0.578 0.000) 0.578 3.011 ( 0.000 -2.345 0.000) 2.345 3.036 ( 0.000 -3.092 0.000) 3.092 3.066 ( 0.000 -1.564 0.000) 1.564 3.071 ( 0.000 -2.527 0.000) 2.527 3.118 ( 0.000 4.291 0.000) 4.291 3.201 ( 0.000 0.704 0.000) 0.704 3.225 ( 0.000 -2.735 0.000) 2.735 3.273 ( 0.000 0.069 0.000) 0.069 3.285 ( 0.000 1.364 0.000) 1.364 3.379 ( 0.000 0.021 0.000) 0.021 3.413 ( 0.000 -1.872 0.000) 1.872 3.496 ( 0.000 -0.300 0.000) 0.300 3.509 ( 0.000 1.501 0.000) 1.501 3.548 ( 0.000 3.977 0.000) 3.977 3.590 ( 0.000 3.035 0.000) 3.035 3.633 ( 0.000 0.077 0.000) 0.077 3.690 ( 0.000 1.714 0.000) 1.714 3.720 ( 0.000 1.690 0.000) 1.690 3.817 ( 0.000 1.852 0.000) 1.852 3.920 ( 0.000 4.739 0.000) 4.739 3.948 ( 0.000 -2.800 0.000) 2.800 3.972 ( 0.000 2.613 0.000) 2.613 4.019 ( 0.000 0.597 0.000) 0.597 4.057 ( 0.000 -1.717 0.000) 1.717 4.098 ( 0.000 -0.381 0.000) 0.381 4.146 ( 0.000 -0.734 0.000) 0.734 4.190 ( 0.000 0.652 0.000) 0.652 4.241 ( 0.000 3.406 0.000) 3.406 4.273 ( 0.000 -1.140 0.000) 1.140 4.383 ( 0.000 1.785 0.000) 1.785 4.417 ( 0.000 -2.522 0.000) 2.522 4.442 ( 0.000 -1.212 0.000) 1.212 4.539 ( 0.000 -4.319 0.000) 4.319 4.558 ( 0.000 -0.782 0.000) 0.782 4.576 ( 0.000 -3.244 0.000) 3.244 4.660 ( 0.000 3.649 0.000) 3.649 4.773 ( 0.000 0.807 0.000) 0.807 4.783 ( 0.000 -0.050 0.000) 0.050 4.860 ( 0.000 -0.642 0.000) 0.642 5.046 ( 0.000 -1.903 0.000) 1.903 5.075 ( 0.000 1.810 0.000) 1.810 5.120 ( 0.000 0.046 0.000) 0.046 5.188 ( 0.000 -2.016 0.000) 2.016 5.285 ( 0.000 0.910 0.000) 0.910 5.310 ( 0.000 0.804 0.000) 0.804 5.393 ( 0.000 0.985 0.000) 0.985 5.422 ( 0.000 -0.467 0.000) 0.467 5.473 ( 0.000 2.760 0.000) 2.760 5.513 ( 0.000 0.923 0.000) 0.923 5.562 ( 0.000 2.270 0.000) 2.270 5.577 ( 0.000 0.461 0.000) 0.461 5.604 ( 0.000 1.425 0.000) 1.425 5.636 ( 0.000 0.882 0.000) 0.882 5.677 ( 0.000 -0.320 0.000) 0.320 5.721 ( 0.000 -0.692 0.000) 0.692 5.768 ( 0.000 -0.956 0.000) 0.956 5.771 ( 0.000 -2.151 0.000) 2.151 5.787 ( 0.000 2.584 0.000) 2.584 5.835 ( 0.000 -1.072 0.000) 1.072 5.885 ( 0.000 0.070 0.000) 0.070 5.937 ( 0.000 -2.453 0.000) 2.453 5.998 ( 0.000 -0.094 0.000) 0.094 6.010 ( 0.000 -2.393 0.000) 2.393 6.229 ( 0.000 2.766 0.000) 2.766 6.285 ( 0.000 1.805 0.000) 1.805 6.427 ( 0.000 -1.509 0.000) 1.509 6.438 ( 0.000 0.697 0.000) 0.697 6.572 ( 0.000 3.952 0.000) 3.952 6.593 ( 0.000 2.800 0.000) 2.800 6.634 ( 0.000 -0.922 0.000) 0.922 6.764 ( 0.000 -1.228 0.000) 1.228 6.811 ( 0.000 2.364 0.000) 2.364 6.834 ( 0.000 1.431 0.000) 1.431 6.909 ( 0.000 1.860 0.000) 1.860 6.983 ( 0.000 1.338 0.000) 1.338 7.027 ( 0.000 -2.747 0.000) 2.747 7.112 ( 0.000 -2.351 0.000) 2.351 ======================= Grid point 15 (10/60) ======================= q-point: ( 0.14 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 99 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.758 ( 3.335 16.644 -1.228) 17.019 0.845 ( 8.564 16.174 0.482) 18.308 1.135 ( 4.835 -0.857 -10.579) 11.663 1.295 ( 7.246 1.925 2.805) 8.005 1.317 ( 12.636 6.527 9.822) 17.284 1.427 ( 1.895 -3.698 3.671) 5.545 1.514 ( 0.805 -1.643 -1.937) 2.665 1.566 ( 2.988 -4.813 -1.528) 5.867 1.637 ( -0.576 -6.365 1.521) 6.569 1.654 ( 3.006 -8.048 0.143) 8.593 1.880 ( -0.654 -5.435 -0.549) 5.502 1.909 ( -2.506 -1.641 3.863) 4.888 1.954 ( -4.989 -0.442 0.270) 5.016 2.087 ( 5.965 -4.771 -4.913) 9.082 2.131 ( -0.169 -0.093 -1.923) 1.933 2.255 ( -3.197 0.930 -5.542) 6.465 2.327 ( -2.972 -1.139 2.886) 4.296 2.354 ( -5.198 1.908 3.092) 6.342 2.405 ( 1.886 -0.032 0.428) 1.934 2.499 ( -4.929 -0.542 -0.970) 5.053 2.549 ( -3.955 -5.040 2.909) 7.036 2.588 ( -0.916 -3.031 0.980) 3.315 2.678 ( -0.105 -4.607 -0.813) 4.680 2.718 ( 1.587 -2.643 -0.241) 3.093 2.739 ( -1.047 -3.121 -2.506) 4.137 2.799 ( 0.940 -2.393 -0.896) 2.723 2.840 ( -0.158 -3.946 -4.348) 5.874 2.893 ( -0.429 0.391 0.727) 0.930 2.929 ( 3.013 -1.218 -1.524) 3.590 2.957 ( -1.261 0.866 -0.304) 1.560 2.969 ( -0.073 -3.464 -1.641) 3.834 3.004 ( -1.422 -0.982 0.998) 1.995 3.018 ( -2.260 -1.470 0.788) 2.809 3.056 ( 3.999 -0.294 -0.219) 4.016 3.104 ( 0.365 -1.107 -1.326) 1.765 3.165 ( -0.125 0.831 2.250) 2.401 3.232 ( 1.862 -0.015 0.229) 1.876 3.241 ( -0.966 2.343 1.885) 3.158 3.290 ( 2.061 -0.918 2.266) 3.198 3.325 ( 4.024 -0.657 3.976) 5.695 3.367 ( -1.463 0.102 0.720) 1.634 3.401 ( 0.407 -2.423 -2.222) 3.313 3.468 ( -1.102 0.952 -1.398) 2.019 3.499 ( 0.511 -0.803 -1.568) 1.834 3.548 ( -1.624 1.962 1.341) 2.878 3.593 ( 0.839 1.188 -1.277) 1.936 3.629 ( -1.770 0.447 -1.112) 2.137 3.658 ( -0.435 2.385 -0.315) 2.445 3.720 ( -0.968 2.360 -0.023) 2.551 3.839 ( 1.542 0.023 2.282) 2.754 3.916 ( 2.184 3.978 -2.978) 5.428 3.958 ( 0.298 1.768 -1.889) 2.604 3.974 ( -0.743 -0.951 -0.081) 1.209 4.021 ( -2.346 -3.176 -0.559) 3.988 4.039 ( 0.313 1.017 3.214) 3.385 4.097 ( 0.230 1.057 -0.538) 1.208 4.140 ( -1.918 -0.537 0.650) 2.095 4.203 ( -1.279 1.384 1.149) 2.207 4.243 ( -2.394 1.316 0.659) 2.811 4.251 ( 0.501 0.720 1.610) 1.834 4.372 ( 0.588 0.377 -1.319) 1.492 4.406 ( -0.373 -1.282 1.085) 1.721 4.470 ( 0.785 -1.366 -0.048) 1.576 4.490 ( -1.361 -1.308 -1.209) 2.242 4.545 ( 0.846 -4.368 -0.844) 4.529 4.593 ( -1.052 -1.854 -0.107) 2.134 4.712 ( 3.668 3.281 1.332) 5.098 4.780 ( 0.610 0.048 0.237) 0.657 4.814 ( 1.534 1.133 1.716) 2.565 4.880 ( 0.849 0.473 1.002) 1.396 4.996 ( -1.912 -1.306 -1.379) 2.695 5.097 ( -2.509 1.778 -0.100) 3.076 5.114 ( 1.077 -1.471 1.674) 2.475 5.158 ( -1.300 -1.162 -3.888) 4.261 5.252 ( -1.750 2.243 -1.719) 3.324 5.299 ( -1.798 -0.372 0.544) 1.915 5.354 ( -2.097 3.043 -0.898) 3.803 5.386 ( -4.602 0.239 1.379) 4.810 5.464 ( -0.737 1.962 -2.928) 3.600 5.502 ( -2.635 -1.019 -1.246) 3.087 5.561 ( -0.253 1.659 0.895) 1.902 5.572 ( 0.681 0.868 0.984) 1.478 5.584 ( -1.809 0.148 -1.133) 2.140 5.631 ( -2.410 1.341 1.969) 3.389 5.664 ( -1.417 -0.776 1.793) 2.413 5.685 ( -3.442 -0.721 -0.312) 3.530 5.722 ( -1.308 -0.759 1.354) 2.030 5.783 ( -0.838 1.576 0.938) 2.016 5.800 ( 0.217 -0.856 -2.743) 2.882 5.804 ( -1.680 -1.242 0.125) 2.093 5.913 ( 2.581 0.177 -0.576) 2.650 5.979 ( 2.446 -1.699 0.749) 3.071 5.996 ( 1.176 -0.628 0.113) 1.338 6.024 ( 2.123 -1.018 -2.149) 3.187 6.252 ( 1.308 4.700 2.426) 5.449 6.349 ( 3.647 1.254 0.865) 3.952 6.414 ( -2.274 1.810 1.068) 3.097 6.425 ( 1.259 -1.110 -0.731) 1.831 6.527 ( -3.699 3.560 -1.743) 5.422 6.566 ( -1.255 3.378 -1.124) 3.775 6.640 ( -0.481 -1.326 2.120) 2.546 6.706 ( -4.297 -1.456 0.970) 4.639 6.811 ( 1.988 2.544 -0.008) 3.228 6.890 ( 2.573 1.771 -1.015) 3.284 6.961 ( 5.414 -1.113 -1.243) 5.666 6.996 ( 1.663 0.806 0.608) 1.946 7.104 ( 5.906 -4.090 0.934) 7.245 7.143 ( 2.868 -2.851 0.295) 4.055 ======================= Grid point 16 (11/60) ======================= q-point: ( 0.29 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 99 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.906 ( 9.912 8.322 4.665) 13.758 1.044 ( 10.755 12.071 2.987) 16.441 1.147 ( 7.508 4.105 -6.444) 10.712 1.368 ( 4.992 2.501 -8.087) 9.827 1.465 ( 1.368 -1.240 2.143) 2.829 1.500 ( -2.087 0.857 1.072) 2.498 1.581 ( 3.342 -3.175 0.553) 4.642 1.639 ( 3.295 -2.650 -0.061) 4.229 1.685 ( 2.633 0.408 3.039) 4.041 1.721 ( 6.045 -5.011 4.411) 9.006 1.867 ( 0.166 -0.557 0.967) 1.129 1.943 ( 2.671 -2.808 3.955) 5.537 1.970 ( 2.866 0.642 3.765) 4.776 2.049 ( -3.675 2.292 -2.276) 4.892 2.120 ( -3.355 -2.755 -6.040) 7.438 2.155 ( 5.294 -5.381 -3.470) 8.308 2.262 ( -3.310 0.328 1.542) 3.666 2.336 ( -3.550 -2.550 1.912) 4.771 2.414 ( -1.423 -3.547 0.253) 3.831 2.486 ( 0.681 -3.622 2.514) 4.462 2.501 ( -2.020 -2.525 5.775) 6.618 2.628 ( 2.466 -3.365 -1.713) 4.510 2.656 ( -1.608 -3.354 -0.979) 3.846 2.710 ( -2.571 -0.284 -0.337) 2.608 2.731 ( 0.269 -1.517 -4.296) 4.564 2.741 ( -2.418 -0.358 0.320) 2.465 2.824 ( -3.637 -4.345 2.561) 6.218 2.831 ( -2.544 -0.382 -0.738) 2.677 2.880 ( -4.497 1.565 -3.715) 6.040 2.930 ( 1.249 -3.088 -3.842) 5.085 2.945 ( 1.027 -2.972 1.070) 3.321 3.025 ( 1.085 0.033 -2.200) 2.453 3.074 ( 2.901 -1.493 0.955) 3.400 3.089 ( 2.651 -2.888 -0.752) 3.992 3.093 ( -1.098 -1.180 0.747) 1.777 3.163 ( -2.260 -2.243 -1.757) 3.637 3.214 ( 3.561 -0.907 1.921) 4.146 3.296 ( 0.874 0.159 0.204) 0.912 3.356 ( 0.076 3.208 0.949) 3.346 3.365 ( 1.434 -3.327 -0.639) 3.679 3.379 ( 1.859 1.457 0.776) 2.486 3.403 ( -0.472 -1.018 -0.374) 1.183 3.459 ( -0.752 0.742 2.138) 2.385 3.518 ( 2.569 -2.338 -0.490) 3.507 3.549 ( 0.866 1.271 0.685) 1.683 3.552 ( -4.068 2.111 0.150) 4.586 3.579 ( -0.322 -1.106 -1.434) 1.839 3.654 ( -2.251 0.496 0.706) 2.410 3.731 ( 2.549 3.810 0.481) 4.610 3.870 ( 0.584 2.222 -1.073) 2.535 3.905 ( -2.165 1.675 -2.685) 3.835 3.925 ( -2.458 0.280 0.129) 2.477 3.962 ( 0.037 -0.887 0.751) 1.162 3.992 ( 1.117 1.686 -0.789) 2.171 4.065 ( 0.572 1.348 -1.395) 2.022 4.100 ( -0.978 0.590 2.868) 3.087 4.112 ( -0.874 -1.756 0.360) 1.994 4.173 ( -1.402 -0.042 0.450) 1.473 4.222 ( -2.183 1.676 2.374) 3.634 4.268 ( 0.054 0.735 -0.283) 0.790 4.399 ( -0.012 1.239 0.828) 1.490 4.417 ( 1.765 -0.302 0.741) 1.938 4.458 ( 0.624 -1.828 0.090) 1.934 4.493 ( -0.534 -3.863 -0.191) 3.904 4.547 ( 0.998 -4.215 -1.693) 4.651 4.584 ( 0.434 -0.587 0.004) 0.730 4.756 ( 0.088 2.994 -1.246) 3.244 4.791 ( 1.386 1.317 0.891) 2.110 4.845 ( -0.354 2.970 -0.279) 3.004 4.870 ( -1.180 -0.320 -0.681) 1.400 4.989 ( -1.237 -2.414 1.822) 3.268 5.027 ( -2.033 -0.493 -1.772) 2.741 5.100 ( -1.313 2.375 -1.153) 2.949 5.155 ( 1.972 0.470 0.453) 2.077 5.202 ( -2.146 1.843 -1.203) 3.074 5.265 ( -3.023 2.066 1.390) 3.917 5.310 ( -3.762 0.260 1.632) 4.109 5.318 ( -3.003 2.210 -0.598) 3.777 5.414 ( -1.730 -1.559 -2.923) 3.737 5.432 ( -1.094 -2.175 -3.243) 4.055 5.531 ( -1.712 2.058 -2.865) 3.921 5.538 ( -2.207 -0.175 -0.615) 2.298 5.577 ( -1.340 0.111 0.240) 1.366 5.628 ( -1.198 2.725 3.524) 4.613 5.641 ( -1.685 -1.642 2.130) 3.174 5.691 ( -0.713 0.513 3.642) 3.746 5.714 ( -1.887 0.153 0.834) 2.069 5.756 ( -0.370 -1.096 -0.530) 1.272 5.779 ( -0.317 0.230 -0.657) 0.765 5.787 ( -0.484 -0.482 -0.906) 1.135 5.940 ( 2.202 0.935 -1.680) 2.923 6.008 ( 0.440 0.375 0.782) 0.973 6.031 ( 0.540 -0.431 -0.073) 0.694 6.038 ( 2.143 -2.338 -0.460) 3.204 6.285 ( -0.671 6.016 1.164) 6.164 6.373 ( -1.919 2.322 0.339) 3.032 6.401 ( 1.532 2.152 -0.858) 2.778 6.443 ( -1.138 1.655 -1.129) 2.305 6.478 ( 2.172 0.281 0.428) 2.232 6.557 ( 0.263 2.541 0.572) 2.617 6.655 ( 0.834 -2.497 -0.032) 2.632 6.669 ( -0.653 -1.155 0.309) 1.363 6.842 ( 1.423 3.246 -0.031) 3.544 6.918 ( 1.507 1.640 0.176) 2.234 7.027 ( 2.797 -1.521 0.187) 3.189 7.066 ( 4.636 -1.809 1.547) 5.211 7.180 ( 3.258 -4.096 -1.333) 5.401 7.201 ( 2.647 -3.926 0.573) 4.770 ======================= Grid point 17 (12/60) ======================= q-point: ( 0.43 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 99 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.099 ( 5.340 2.255 2.810) 6.442 1.163 ( 2.726 5.179 -0.022) 5.852 1.296 ( 9.928 6.210 1.021) 11.755 1.385 ( 6.505 7.912 -4.221) 11.079 1.431 ( -4.244 2.502 1.460) 5.138 1.455 ( -4.719 3.660 -1.619) 6.188 1.594 ( -1.449 -1.869 -2.214) 3.239 1.617 ( -3.892 3.182 0.931) 5.113 1.757 ( 6.102 -3.313 -0.716) 6.980 1.883 ( 4.467 -2.379 4.359) 6.679 1.920 ( -2.117 -1.928 -0.583) 2.922 1.941 ( 0.122 -0.746 4.415) 4.480 1.974 ( -2.091 -2.768 -2.013) 4.011 2.058 ( 3.134 -6.104 -1.458) 7.015 2.110 ( 2.501 -1.662 -0.053) 3.003 2.204 ( 2.579 -0.210 3.009) 3.969 2.264 ( -2.415 -4.764 -1.477) 5.542 2.311 ( 3.666 -1.750 2.041) 4.546 2.415 ( -3.985 -4.601 -1.710) 6.323 2.486 ( 1.636 -0.817 3.189) 3.676 2.545 ( -2.090 -2.289 -0.495) 3.139 2.553 ( -3.401 0.679 0.022) 3.468 2.613 ( -3.203 0.770 -2.827) 4.341 2.644 ( -0.696 -0.804 -0.433) 1.148 2.687 ( -0.668 -2.557 -1.436) 3.007 2.759 ( -0.452 -3.219 -0.555) 3.298 2.807 ( 0.397 -1.673 -0.722) 1.865 2.819 ( 3.113 -3.766 5.158) 7.105 2.858 ( 1.560 -3.314 2.265) 4.307 2.918 ( 0.706 -2.067 -0.413) 2.223 2.956 ( -2.094 -4.099 -4.170) 6.211 2.986 ( -3.113 -1.204 -2.364) 4.090 3.035 ( -0.444 -3.568 -1.238) 3.803 3.101 ( 0.042 -1.880 3.350) 3.841 3.132 ( 1.295 -2.696 -1.638) 3.410 3.185 ( 2.038 -0.248 -0.206) 2.063 3.244 ( -0.539 -1.516 0.260) 1.630 3.325 ( 1.802 1.237 0.004) 2.186 3.331 ( -0.218 1.234 -0.552) 1.370 3.372 ( -0.601 -1.645 -0.697) 1.884 3.409 ( 1.065 -1.298 0.942) 1.925 3.429 ( 1.989 -1.309 1.049) 2.602 3.447 ( -0.863 1.512 -1.136) 2.079 3.515 ( -0.392 -0.109 -1.570) 1.622 3.530 ( -1.219 0.566 3.104) 3.382 3.547 ( -1.563 0.938 -0.464) 1.881 3.585 ( 1.196 1.346 -0.081) 1.802 3.623 ( -1.740 -0.322 0.156) 1.776 3.784 ( 2.429 5.217 0.251) 5.761 3.852 ( -1.146 1.678 -0.643) 2.131 3.869 ( 1.367 2.378 -1.439) 3.098 3.896 ( -0.862 1.831 0.241) 2.038 3.913 ( -3.223 0.769 -0.824) 3.414 4.030 ( 0.680 2.093 0.546) 2.267 4.058 ( 0.310 -0.237 -0.481) 0.620 4.113 ( 0.533 -0.220 -0.096) 0.585 4.126 ( 0.095 -1.009 2.252) 2.470 4.168 ( -0.244 -1.353 0.185) 1.387 4.222 ( -0.378 2.078 2.553) 3.313 4.253 ( -0.620 0.715 -1.297) 1.605 4.395 ( -0.269 1.534 -0.438) 1.618 4.433 ( 0.754 -0.451 -0.165) 0.894 4.469 ( -1.143 -3.548 -0.500) 3.761 4.504 ( 1.693 -2.160 1.380) 3.072 4.540 ( 0.083 -4.370 -1.046) 4.495 4.586 ( -0.165 -1.873 -0.612) 1.977 4.745 ( 0.413 3.237 1.025) 3.421 4.795 ( -1.840 3.210 -2.839) 4.664 4.812 ( -0.507 -2.206 -1.103) 2.518 4.864 ( 0.677 1.725 1.320) 2.275 4.972 ( -1.373 -0.468 2.159) 2.601 5.006 ( -0.291 0.136 -1.966) 1.992 5.081 ( -0.545 1.440 -0.145) 1.547 5.186 ( 0.579 1.724 1.046) 2.098 5.191 ( 1.823 1.623 -0.472) 2.486 5.238 ( -1.545 3.801 0.953) 4.212 5.251 ( -2.566 0.601 0.029) 2.636 5.291 ( -1.054 -0.117 0.202) 1.080 5.371 ( -0.797 -2.686 -0.195) 2.809 5.388 ( -0.853 -2.866 -2.503) 3.900 5.478 ( -0.914 3.012 -1.360) 3.429 5.501 ( -1.246 -0.035 -0.224) 1.267 5.570 ( -0.189 0.913 0.210) 0.956 5.623 ( -1.228 1.311 1.518) 2.352 5.644 ( -0.297 -0.542 0.047) 0.620 5.693 ( -0.498 -1.869 0.254) 1.951 5.709 ( -0.285 1.725 1.371) 2.222 5.749 ( -0.386 1.120 -0.569) 1.314 5.774 ( -0.247 -0.136 0.280) 0.397 5.786 ( 0.527 -0.573 0.319) 0.841 5.960 ( 1.845 1.334 -1.087) 2.523 6.010 ( -1.274 -0.090 0.893) 1.558 6.034 ( 0.192 0.048 0.318) 0.374 6.058 ( 0.617 -1.987 -0.701) 2.195 6.259 ( -1.312 5.590 -0.464) 5.761 6.348 ( -1.299 2.188 0.763) 2.656 6.388 ( 0.110 2.255 -1.526) 2.725 6.472 ( 2.431 1.385 0.174) 2.803 6.506 ( 0.094 0.303 0.379) 0.494 6.566 ( 0.224 1.199 0.077) 1.223 6.669 ( 0.158 0.388 0.553) 0.694 6.673 ( 0.615 -2.745 -0.185) 2.819 6.856 ( 0.414 4.409 -0.125) 4.430 6.941 ( 0.658 0.671 0.206) 0.962 7.063 ( 1.089 -2.350 0.116) 2.593 7.149 ( 2.554 -3.050 1.650) 4.307 7.200 ( 1.014 -3.581 -1.723) 4.101 7.231 ( 0.404 -4.072 0.506) 4.123 ======================= Grid point 21 (13/60) ======================= q-point: ( 0.00 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.011 ( 0.000 7.682 0.000) 7.682 1.108 ( 0.000 -4.560 0.000) 4.560 1.141 ( 0.000 7.350 0.000) 7.350 1.188 ( 0.000 13.408 0.000) 13.408 1.255 ( 0.000 -3.347 0.000) 3.347 1.298 ( 0.000 1.929 0.000) 1.929 1.386 ( 0.000 -6.718 0.000) 6.718 1.458 ( 0.000 -3.040 0.000) 3.040 1.500 ( 0.000 -7.687 0.000) 7.687 1.539 ( 0.000 -2.664 0.000) 2.664 1.791 ( 0.000 -1.988 0.000) 1.988 1.824 ( 0.000 -5.045 0.000) 5.045 1.978 ( 0.000 0.902 0.000) 0.902 2.018 ( 0.000 -2.442 0.000) 2.442 2.176 ( 0.000 5.832 0.000) 5.832 2.305 ( 0.000 -6.538 0.000) 6.538 2.357 ( 0.000 2.121 0.000) 2.121 2.373 ( 0.000 1.569 0.000) 1.569 2.478 ( 0.000 2.489 0.000) 2.489 2.515 ( 0.000 0.582 0.000) 0.582 2.573 ( 0.000 -0.762 0.000) 0.762 2.583 ( 0.000 -5.578 0.000) 5.578 2.621 ( 0.000 1.900 0.000) 1.900 2.704 ( 0.000 1.350 0.000) 1.350 2.716 ( 0.000 -0.687 0.000) 0.687 2.741 ( 0.000 -1.388 0.000) 1.388 2.758 ( 0.000 -2.870 0.000) 2.870 2.801 ( 0.000 -2.509 0.000) 2.509 2.936 ( 0.000 -1.051 0.000) 1.051 2.937 ( 0.000 -0.744 0.000) 0.744 2.958 ( 0.000 -0.953 0.000) 0.953 2.974 ( 0.000 -2.727 0.000) 2.727 3.033 ( 0.000 0.828 0.000) 0.828 3.041 ( 0.000 -0.635 0.000) 0.635 3.070 ( 0.000 2.729 0.000) 2.729 3.145 ( 0.000 -4.442 0.000) 4.442 3.189 ( 0.000 2.650 0.000) 2.650 3.215 ( 0.000 -0.201 0.000) 0.201 3.301 ( 0.000 2.223 0.000) 2.223 3.318 ( 0.000 1.082 0.000) 1.082 3.364 ( 0.000 -0.872 0.000) 0.872 3.371 ( 0.000 -1.860 0.000) 1.860 3.496 ( 0.000 0.443 0.000) 0.443 3.514 ( 0.000 -1.057 0.000) 1.057 3.607 ( 0.000 0.157 0.000) 0.157 3.612 ( 0.000 0.256 0.000) 0.256 3.647 ( 0.000 3.226 0.000) 3.226 3.692 ( 0.000 -0.990 0.000) 0.990 3.766 ( 0.000 3.606 0.000) 3.606 3.861 ( 0.000 -4.620 0.000) 4.620 3.883 ( 0.000 2.683 0.000) 2.683 3.944 ( 0.000 -2.378 0.000) 2.378 4.006 ( 0.000 0.943 0.000) 0.943 4.015 ( 0.000 0.292 0.000) 0.292 4.082 ( 0.000 1.590 0.000) 1.590 4.095 ( 0.000 -0.149 0.000) 0.149 4.144 ( 0.000 2.033 0.000) 2.033 4.206 ( 0.000 -2.160 0.000) 2.160 4.274 ( 0.000 3.711 0.000) 3.711 4.309 ( 0.000 3.345 0.000) 3.345 4.364 ( 0.000 -3.815 0.000) 3.815 4.367 ( 0.000 -2.719 0.000) 2.719 4.459 ( 0.000 2.532 0.000) 2.532 4.483 ( 0.000 -0.485 0.000) 0.485 4.520 ( 0.000 -2.705 0.000) 2.705 4.520 ( 0.000 -2.525 0.000) 2.525 4.716 ( 0.000 1.913 0.000) 1.913 4.752 ( 0.000 -1.969 0.000) 1.969 4.803 ( 0.000 1.952 0.000) 1.952 4.842 ( 0.000 -1.684 0.000) 1.684 5.042 ( 0.000 1.273 0.000) 1.273 5.075 ( 0.000 -1.607 0.000) 1.607 5.145 ( 0.000 2.098 0.000) 2.098 5.170 ( 0.000 -0.267 0.000) 0.267 5.295 ( 0.000 -0.071 0.000) 0.071 5.302 ( 0.000 -1.123 0.000) 1.123 5.410 ( 0.000 0.905 0.000) 0.905 5.417 ( 0.000 0.004 0.000) 0.004 5.526 ( 0.000 2.384 0.000) 2.384 5.537 ( 0.000 1.190 0.000) 1.190 5.583 ( 0.000 0.364 0.000) 0.364 5.589 ( 0.000 0.243 0.000) 0.243 5.631 ( 0.000 0.004 0.000) 0.004 5.632 ( 0.000 -1.005 0.000) 1.005 5.663 ( 0.000 0.818 0.000) 0.818 5.706 ( 0.000 -2.084 0.000) 2.084 5.747 ( 0.000 0.453 0.000) 0.453 5.755 ( 0.000 -0.172 0.000) 0.172 5.808 ( 0.000 -0.093 0.000) 0.093 5.813 ( 0.000 -0.879 0.000) 0.879 5.900 ( 0.000 0.989 0.000) 0.989 5.914 ( 0.000 -0.499 0.000) 0.499 5.981 ( 0.000 -0.386 0.000) 0.386 5.988 ( 0.000 -0.751 0.000) 0.751 6.277 ( 0.000 2.071 0.000) 2.071 6.302 ( 0.000 -0.251 0.000) 0.251 6.412 ( 0.000 0.209 0.000) 0.209 6.430 ( 0.000 -1.185 0.000) 1.185 6.618 ( 0.000 1.009 0.000) 1.009 6.626 ( 0.000 -0.141 0.000) 0.141 6.662 ( 0.000 3.912 0.000) 3.912 6.726 ( 0.000 -2.657 0.000) 2.657 6.855 ( 0.000 1.628 0.000) 1.628 6.860 ( 0.000 0.945 0.000) 0.945 6.945 ( 0.000 1.778 0.000) 1.778 6.981 ( 0.000 -2.065 0.000) 2.065 7.012 ( 0.000 1.956 0.000) 1.956 7.061 ( 0.000 -2.865 0.000) 2.865 ======================= Grid point 22 (14/60) ======================= q-point: ( 0.14 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 99 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.060 ( 2.691 13.487 -1.865) 13.878 1.101 ( 7.544 7.459 -4.043) 11.353 1.176 ( 4.136 5.803 -4.513) 8.435 1.228 ( 10.210 -3.047 -0.374) 10.662 1.312 ( 2.752 -4.221 5.545) 7.493 1.341 ( 0.882 -8.013 -1.451) 8.191 1.460 ( 3.838 -5.753 3.383) 7.699 1.470 ( 5.440 -5.122 0.375) 7.481 1.575 ( 7.012 3.709 4.918) 9.334 1.610 ( 2.017 -0.179 0.221) 2.037 1.808 ( 2.477 -0.826 -0.504) 2.659 1.850 ( 2.018 -3.700 1.140) 4.366 1.975 ( -0.042 1.419 0.738) 1.600 2.014 ( 2.364 -2.714 -3.027) 4.703 2.162 ( -1.911 3.288 -0.901) 3.908 2.235 ( -6.556 -3.617 -2.310) 7.835 2.346 ( -1.951 2.371 1.029) 3.238 2.355 ( -1.979 0.274 3.196) 3.769 2.443 ( -4.711 2.311 0.543) 5.275 2.472 ( -7.111 -0.830 -0.934) 7.220 2.491 ( -4.842 -1.767 0.474) 5.177 2.532 ( -4.157 -3.770 1.055) 5.710 2.635 ( 0.827 0.847 -0.649) 1.350 2.669 ( 1.916 -2.173 1.521) 3.272 2.708 ( 0.666 0.231 -1.433) 1.597 2.751 ( -0.921 -2.854 0.896) 3.130 2.795 ( 3.071 0.678 -3.385) 4.621 2.853 ( 2.588 -4.239 -1.926) 5.327 2.920 ( -1.528 -0.478 -1.074) 1.928 2.923 ( 0.280 1.113 -0.443) 1.230 2.952 ( -1.495 -2.326 0.952) 2.924 2.961 ( -0.553 -1.195 0.475) 1.400 3.041 ( 0.880 2.418 -0.362) 2.598 3.073 ( 3.234 0.425 -0.945) 3.396 3.097 ( 2.801 1.159 -0.263) 3.043 3.165 ( 1.466 -3.677 0.606) 4.005 3.222 ( -2.627 1.507 -1.035) 3.201 3.256 ( -3.999 -0.895 -1.981) 4.552 3.293 ( 3.772 1.335 2.706) 4.830 3.316 ( 5.080 -0.833 4.035) 6.541 3.368 ( 0.479 0.637 0.497) 0.939 3.387 ( -0.114 -0.251 3.066) 3.078 3.455 ( -1.672 0.329 -2.066) 2.678 3.489 ( -1.587 -1.780 -0.968) 2.574 3.566 ( -2.735 0.679 -0.870) 2.949 3.586 ( -1.474 -1.250 -2.265) 2.978 3.649 ( -1.395 1.816 -0.522) 2.349 3.677 ( -0.908 -0.602 -0.370) 1.151 3.786 ( 1.777 5.002 -0.609) 5.343 3.872 ( 0.000 2.115 1.007) 2.343 3.901 ( 2.576 -4.804 0.117) 5.452 3.932 ( -1.430 -2.661 2.427) 3.875 3.989 ( -1.212 1.252 -1.501) 2.300 3.998 ( -0.116 0.271 -1.819) 1.842 4.080 ( 0.498 2.701 -0.154) 2.751 4.117 ( 0.086 -0.893 0.218) 0.924 4.132 ( -0.763 2.120 -0.140) 2.258 4.198 ( -1.221 -3.583 -0.478) 3.816 4.260 ( -1.229 3.915 0.218) 4.110 4.309 ( -1.763 1.098 0.414) 2.118 4.363 ( 1.208 -0.049 1.116) 1.645 4.392 ( 0.859 -1.598 0.946) 2.046 4.444 ( 0.585 -0.206 -1.353) 1.488 4.465 ( -1.061 -1.658 -1.635) 2.559 4.499 ( -0.202 0.776 1.293) 1.522 4.545 ( -0.368 -3.028 0.985) 3.206 4.760 ( 2.690 1.436 1.524) 3.409 4.776 ( 1.456 -0.453 0.947) 1.795 4.835 ( 1.941 1.514 2.098) 3.235 4.872 ( 1.880 -1.842 2.246) 3.460 4.996 ( -3.439 1.884 -1.673) 4.263 5.049 ( -3.731 -3.243 0.298) 4.953 5.158 ( 1.772 2.399 -0.893) 3.113 5.168 ( 2.305 1.175 -3.189) 4.106 5.267 ( -1.687 -0.299 -1.753) 2.451 5.278 ( -2.283 -1.574 -0.479) 2.814 5.393 ( -3.344 0.687 1.465) 3.715 5.397 ( -1.748 0.865 -0.124) 1.954 5.494 ( -2.952 1.263 -3.089) 4.456 5.504 ( -3.297 0.482 -2.899) 4.417 5.575 ( -1.538 0.578 1.499) 2.224 5.582 ( -0.384 0.432 1.919) 2.004 5.604 ( -2.137 1.024 -1.209) 2.660 5.633 ( -3.045 -2.152 1.492) 4.016 5.647 ( -0.729 0.814 2.357) 2.598 5.674 ( -1.695 -1.307 0.695) 2.251 5.728 ( -1.544 1.726 1.585) 2.806 5.768 ( -1.148 -2.147 0.628) 2.515 5.793 ( -0.359 -0.041 -2.471) 2.497 5.795 ( -0.844 -0.051 -0.600) 1.037 5.925 ( 2.886 0.863 -0.508) 3.054 5.945 ( 3.019 -1.373 0.314) 3.331 5.994 ( 1.427 0.343 -0.181) 1.479 6.006 ( 1.725 -0.840 -0.921) 2.129 6.328 ( 3.258 3.157 2.728) 5.294 6.366 ( 5.106 -0.314 1.238) 5.263 6.404 ( -0.329 0.107 -0.074) 0.354 6.424 ( 0.000 -0.924 -0.605) 1.104 6.586 ( -3.323 2.174 -1.550) 4.262 6.613 ( -1.585 -1.056 -0.361) 1.938 6.623 ( -2.075 2.706 -0.313) 3.424 6.671 ( -3.959 -2.189 0.431) 4.544 6.875 ( 2.734 3.265 -0.514) 4.290 6.914 ( 4.445 -0.334 -1.101) 4.591 6.967 ( 1.683 2.101 0.674) 2.775 7.018 ( 1.377 -0.075 1.204) 1.830 7.035 ( 3.673 -1.367 0.170) 3.922 7.081 ( 2.142 -3.359 0.041) 3.984 ======================= Grid point 23 (15/60) ======================= q-point: ( 0.29 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 99 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.098 ( 4.490 10.192 0.038) 11.137 1.204 ( 2.474 1.605 -2.098) 3.619 1.276 ( 11.150 8.336 -0.368) 13.927 1.361 ( 4.453 -0.497 1.781) 4.822 1.398 ( 8.441 -4.561 -0.391) 9.602 1.492 ( 9.607 -5.549 3.712) 11.699 1.548 ( 3.652 -1.240 -0.067) 3.857 1.586 ( 4.185 -2.408 0.069) 4.829 1.621 ( 2.935 3.240 -0.708) 4.429 1.694 ( 4.183 -2.819 1.325) 5.215 1.854 ( 2.720 0.635 -1.971) 3.418 1.899 ( 4.674 -2.954 -2.678) 6.144 2.004 ( -0.823 2.000 2.543) 3.338 2.048 ( 1.562 -2.354 0.755) 2.925 2.077 ( -4.940 0.102 -2.972) 5.766 2.108 ( -2.520 -1.965 -2.048) 3.795 2.280 ( -3.540 2.533 2.338) 4.941 2.329 ( -8.060 1.272 0.414) 8.170 2.358 ( -1.548 -1.176 2.267) 2.986 2.436 ( -6.492 -4.312 3.639) 8.602 2.449 ( 3.075 0.398 2.232) 3.820 2.528 ( 2.969 -6.296 1.013) 7.034 2.658 ( -1.082 3.508 2.599) 4.498 2.691 ( -1.256 -0.645 -0.742) 1.595 2.695 ( -1.104 -0.849 -0.503) 1.481 2.735 ( -3.564 -2.821 2.280) 5.085 2.770 ( -0.457 0.642 0.739) 1.080 2.830 ( -2.447 -4.250 0.916) 4.989 2.880 ( -0.235 2.355 -2.660) 3.561 2.913 ( 0.180 -0.966 -4.839) 4.937 2.929 ( -0.264 2.610 -5.601) 6.185 2.991 ( 2.339 -3.387 -0.627) 4.164 3.056 ( -1.435 0.199 -2.709) 3.072 3.074 ( -1.239 -0.730 -3.250) 3.554 3.100 ( -0.942 2.685 0.106) 2.848 3.156 ( -0.357 0.866 1.894) 2.113 3.183 ( 2.275 -1.892 3.108) 4.291 3.232 ( 2.824 -4.746 0.280) 5.529 3.355 ( 0.183 1.238 -0.760) 1.464 3.380 ( -0.572 -1.200 -1.958) 2.366 3.401 ( 0.751 2.076 0.214) 2.218 3.426 ( 1.292 2.122 3.563) 4.343 3.447 ( -1.312 -1.568 -1.206) 2.374 3.477 ( 0.970 -2.222 2.305) 3.346 3.552 ( 0.870 -0.273 1.118) 1.443 3.555 ( 1.737 -0.371 0.923) 2.001 3.599 ( -2.762 2.163 -0.811) 3.601 3.639 ( -3.161 -1.729 -0.072) 3.604 3.813 ( 2.737 4.186 -1.010) 5.102 3.875 ( 0.677 -1.977 -1.922) 2.839 3.935 ( -1.257 2.125 -0.299) 2.487 3.940 ( -1.129 1.281 1.663) 2.383 3.960 ( -0.557 -0.176 -1.027) 1.181 3.987 ( 3.123 -2.059 -0.282) 3.751 4.090 ( 0.227 0.716 0.206) 0.779 4.094 ( -1.834 -0.032 -0.094) 1.836 4.130 ( 0.670 2.258 0.065) 2.356 4.171 ( -0.789 -1.116 -0.753) 1.560 4.235 ( -2.096 1.561 1.321) 2.929 4.275 ( -2.457 -1.087 0.885) 2.829 4.409 ( 0.727 0.212 1.362) 1.558 4.415 ( 1.486 -0.436 1.580) 2.213 4.437 ( -0.032 -0.797 -0.541) 0.964 4.446 ( -0.648 -1.116 -0.678) 1.458 4.503 ( 0.021 0.833 -0.587) 1.020 4.548 ( -0.099 -2.746 0.141) 2.751 4.795 ( 0.612 1.270 -0.747) 1.596 4.806 ( 1.598 0.187 -0.316) 1.640 4.881 ( -0.001 1.381 -0.094) 1.384 4.901 ( -0.458 1.127 -1.896) 2.253 4.943 ( -1.588 -0.528 2.840) 3.296 4.986 ( -1.398 -2.986 0.468) 3.330 5.157 ( -1.340 3.179 -1.063) 3.609 5.196 ( 2.116 3.169 0.061) 3.811 5.209 ( -1.730 -1.541 -1.731) 2.892 5.254 ( -0.286 -2.448 0.854) 2.609 5.339 ( -3.416 2.159 0.575) 4.082 5.362 ( -2.777 1.454 0.002) 3.135 5.384 ( -3.743 -1.346 -4.153) 5.750 5.399 ( -3.832 -1.138 -3.703) 5.449 5.547 ( -2.503 1.318 0.005) 2.829 5.564 ( -2.116 0.683 -1.913) 2.933 5.580 ( -0.805 0.350 0.930) 1.279 5.604 ( -0.666 -1.863 2.047) 2.847 5.668 ( -1.815 1.417 3.653) 4.318 5.691 ( -1.562 -0.833 4.434) 4.774 5.717 ( -1.271 0.595 1.127) 1.800 5.734 ( -0.576 -1.072 0.129) 1.224 5.779 ( 0.365 -0.072 -1.467) 1.514 5.781 ( 0.023 -0.208 -0.963) 0.986 5.962 ( 2.936 1.355 -2.115) 3.864 5.994 ( 2.923 -2.035 -1.360) 3.812 6.013 ( -0.065 0.287 1.209) 1.245 6.021 ( 0.254 -0.537 0.420) 0.728 6.375 ( -1.098 3.181 1.298) 3.607 6.402 ( -1.469 0.355 1.042) 1.835 6.440 ( 3.430 1.584 -1.336) 4.007 6.458 ( 3.472 -0.271 0.188) 3.488 6.502 ( -2.755 2.227 -1.366) 3.796 6.556 ( -2.395 -3.114 -1.039) 4.063 6.623 ( 1.225 1.460 0.433) 1.955 6.654 ( 0.361 -1.466 0.921) 1.769 6.916 ( 2.224 4.020 -0.134) 4.597 6.974 ( 2.957 0.127 0.051) 2.960 6.999 ( 1.374 1.780 0.206) 2.258 7.057 ( 2.060 0.088 1.031) 2.305 7.097 ( 3.172 -3.448 -0.487) 4.710 7.123 ( 2.335 -3.791 0.110) 4.454 ======================= Grid point 24 (16/60) ======================= q-point: ( 0.43 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 99 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.172 ( 2.132 4.406 0.811) 4.961 1.224 ( 0.667 0.135 0.606) 0.911 1.413 ( 6.813 5.382 -0.794) 8.719 1.452 ( 2.905 1.668 1.661) 3.739 1.491 ( 0.168 1.794 0.031) 1.802 1.540 ( -4.353 -0.676 -1.156) 4.555 1.610 ( 8.837 6.102 -1.713) 10.875 1.685 ( 5.081 -0.896 -1.093) 5.274 1.718 ( 3.332 2.941 1.694) 4.756 1.776 ( 3.279 -4.771 1.463) 5.971 1.866 ( -2.491 -4.215 -2.291) 5.406 1.868 ( -3.376 -4.444 1.797) 5.863 1.992 ( -0.506 1.215 -0.464) 1.396 2.030 ( 4.346 4.326 -1.546) 6.324 2.041 ( -1.721 -3.870 -0.236) 4.242 2.137 ( 6.877 -6.201 -0.457) 9.271 2.209 ( -6.564 0.913 0.432) 6.641 2.292 ( -6.998 -6.095 0.252) 9.284 2.353 ( 1.419 4.120 3.742) 5.744 2.434 ( 4.185 -3.753 4.489) 7.194 2.503 ( 0.025 -0.487 1.166) 1.264 2.538 ( -1.573 -3.493 -0.216) 3.837 2.633 ( -3.642 1.292 -0.491) 3.896 2.646 ( -1.987 -0.079 -2.250) 3.003 2.679 ( -0.876 1.006 1.457) 1.976 2.705 ( 0.231 -1.936 -0.681) 2.065 2.771 ( -2.754 0.669 -2.970) 4.106 2.798 ( -3.481 -1.545 -2.174) 4.385 2.841 ( 2.392 0.767 3.944) 4.676 2.868 ( 2.298 -2.220 2.422) 4.009 2.921 ( 1.130 0.589 -4.354) 4.537 2.960 ( -2.111 -2.715 -4.238) 5.458 2.993 ( -1.030 0.729 -0.146) 1.271 3.032 ( -1.194 -3.014 -0.025) 3.242 3.156 ( 1.987 2.673 1.101) 3.508 3.193 ( 1.837 0.094 1.216) 2.205 3.230 ( -0.970 0.143 0.722) 1.217 3.274 ( 1.619 -4.219 0.473) 4.544 3.355 ( 0.699 0.787 -0.634) 1.229 3.368 ( 1.162 -0.141 -0.311) 1.211 3.394 ( -0.167 0.167 -0.627) 0.670 3.405 ( -0.943 -0.875 -0.468) 1.369 3.466 ( 0.125 0.892 0.256) 0.936 3.491 ( 0.326 -1.594 0.472) 1.694 3.551 ( -1.838 1.242 0.644) 2.310 3.567 ( -2.313 0.099 0.800) 2.449 3.605 ( 1.355 0.625 0.366) 1.536 3.611 ( 0.601 -0.421 0.243) 0.773 3.849 ( 1.683 1.498 -0.429) 2.293 3.862 ( -0.261 -0.196 -1.061) 1.110 3.901 ( 0.376 1.589 -0.858) 1.844 3.922 ( -0.942 -0.120 -1.631) 1.887 3.968 ( 0.416 4.487 1.331) 4.699 4.040 ( 1.227 -2.010 0.884) 2.515 4.068 ( -0.700 1.010 -0.215) 1.247 4.092 ( 0.390 -1.200 -0.094) 1.265 4.139 ( -0.587 2.067 -0.015) 2.149 4.164 ( -0.073 0.311 0.857) 0.914 4.231 ( 0.219 -0.186 1.109) 1.146 4.249 ( -1.561 -1.361 0.762) 2.207 4.416 ( 0.548 0.738 -0.028) 0.919 4.428 ( -0.154 -0.751 -0.686) 1.029 4.436 ( -0.648 -0.099 0.444) 0.792 4.458 ( 0.352 -2.774 0.951) 2.954 4.487 ( 0.057 0.819 -0.753) 1.114 4.534 ( -0.830 -3.165 -0.860) 3.383 4.791 ( -0.040 1.233 -0.438) 1.309 4.796 ( -0.349 0.229 -1.786) 1.834 4.847 ( -1.194 2.164 -1.814) 3.066 4.877 ( 0.156 -0.642 0.179) 0.684 4.973 ( 0.160 0.840 3.020) 3.138 4.996 ( 0.388 -1.162 -0.386) 1.285 5.121 ( -1.185 2.688 -0.376) 2.961 5.175 ( -0.774 -2.202 1.163) 2.608 5.241 ( 1.509 2.152 -0.745) 2.732 5.257 ( -0.945 -0.024 0.994) 1.371 5.276 ( -2.183 0.486 -2.306) 3.212 5.302 ( -0.929 0.633 -0.596) 1.272 5.328 ( -0.849 -1.114 -1.221) 1.858 5.351 ( -0.594 -1.088 0.266) 1.268 5.512 ( -1.143 1.232 -0.026) 1.681 5.520 ( -0.861 0.958 -0.900) 1.571 5.587 ( 0.093 0.904 0.843) 1.239 5.614 ( -0.188 -1.741 1.410) 2.248 5.649 ( -1.499 0.683 -0.131) 1.653 5.662 ( -1.754 -0.961 -0.116) 2.004 5.740 ( 0.159 1.425 2.051) 2.502 5.758 ( 0.124 -0.203 1.915) 1.930 5.772 ( 0.111 -0.112 -0.686) 0.704 5.774 ( 0.381 -0.522 -0.697) 0.950 5.987 ( 2.880 1.374 -2.370) 3.975 6.010 ( -1.769 0.409 1.600) 2.420 6.017 ( 1.234 -1.881 -1.355) 2.627 6.026 ( -0.431 -0.870 1.067) 1.443 6.346 ( -1.709 3.098 -0.200) 3.544 6.373 ( -1.670 0.166 0.115) 1.682 6.441 ( 0.225 3.131 -1.035) 3.306 6.495 ( 0.273 -1.300 -0.081) 1.331 6.504 ( 1.805 1.206 -0.259) 2.186 6.541 ( 0.444 -2.610 0.106) 2.650 6.650 ( 0.749 1.023 0.513) 1.368 6.672 ( 0.408 -0.952 0.461) 1.134 6.942 ( 0.824 4.491 0.001) 4.566 7.007 ( 0.868 4.218 0.064) 4.307 7.018 ( 0.651 -1.944 -0.001) 2.050 7.095 ( 0.976 -2.933 0.585) 3.146 7.134 ( 1.730 -2.329 -0.363) 2.924 7.150 ( 0.508 -3.531 0.080) 3.568 ======================= Grid point 49 (17/60) ======================= q-point: ( 0.00 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.366 ( -5.746 0.000 20.118) 20.923 0.401 ( 1.329 0.000 21.740) 21.780 0.671 ( 3.158 0.000 35.165) 35.307 1.079 ( 4.777 0.000 -16.282) 16.968 1.168 ( -0.798 0.000 -18.358) 18.375 1.500 ( -4.500 0.000 -1.187) 4.654 1.685 ( 0.814 0.000 0.848) 1.175 1.698 ( 0.306 0.000 -2.504) 2.522 1.816 ( 1.381 0.000 6.159) 6.312 1.914 ( -5.230 0.000 -2.341) 5.730 1.960 ( 6.459 0.000 -1.260) 6.581 2.018 ( -6.684 0.000 -2.031) 6.986 2.075 ( -7.773 0.000 1.034) 7.841 2.147 ( 8.167 0.000 1.990) 8.406 2.158 ( 2.495 0.000 2.523) 3.548 2.190 ( 2.449 0.000 -3.287) 4.099 2.359 ( -0.929 0.000 0.886) 1.284 2.424 ( -1.790 0.000 2.724) 3.260 2.491 ( 4.119 0.000 -6.283) 7.513 2.527 ( -3.469 0.000 3.120) 4.666 2.572 ( 4.111 0.000 -4.623) 6.186 2.627 ( -2.865 0.000 -0.237) 2.874 2.757 ( 0.544 0.000 -2.131) 2.200 2.774 ( 1.886 0.000 -0.862) 2.073 2.807 ( 1.313 0.000 -0.103) 1.317 2.846 ( 0.262 0.000 -1.825) 1.844 2.897 ( -2.685 0.000 -4.007) 4.823 2.900 ( -0.717 0.000 -1.307) 1.491 3.003 ( 5.258 0.000 0.572) 5.289 3.007 ( -1.928 0.000 4.005) 4.445 3.021 ( -3.808 0.000 3.366) 5.083 3.069 ( -3.610 0.000 0.922) 3.726 3.074 ( -0.454 0.000 -2.371) 2.414 3.117 ( 1.678 0.000 0.344) 1.713 3.156 ( -3.198 0.000 0.812) 3.299 3.170 ( 0.460 0.000 -0.257) 0.527 3.236 ( 1.853 0.000 3.292) 3.778 3.262 ( -4.547 0.000 0.005) 4.547 3.301 ( 3.479 0.000 1.939) 3.983 3.309 ( 3.095 0.000 0.066) 3.096 3.335 ( 0.285 0.000 -0.447) 0.530 3.412 ( 0.240 0.000 -1.986) 2.001 3.444 ( 1.071 0.000 0.869) 1.380 3.447 ( -2.054 0.000 0.568) 2.131 3.483 ( 0.996 0.000 0.039) 0.997 3.486 ( -1.068 0.000 -1.826) 2.115 3.522 ( -2.063 0.000 2.571) 3.297 3.621 ( 3.928 0.000 -1.736) 4.294 3.671 ( -0.362 0.000 1.289) 1.339 3.763 ( 2.655 0.000 -2.430) 3.599 3.874 ( 2.909 0.000 2.122) 3.601 3.952 ( 2.255 0.000 0.630) 2.341 3.968 ( 0.475 0.000 3.450) 3.482 4.053 ( -0.186 0.000 -0.243) 0.306 4.068 ( -6.575 0.000 -3.717) 7.553 4.114 ( 1.415 0.000 -2.710) 3.057 4.129 ( -0.666 0.000 1.720) 1.845 4.187 ( 2.319 0.000 -0.017) 2.319 4.307 ( -0.713 0.000 0.445) 0.840 4.308 ( -0.878 0.000 -0.400) 0.965 4.353 ( -0.329 0.000 1.689) 1.721 4.389 ( 0.268 0.000 0.666) 0.718 4.501 ( 1.882 0.000 1.115) 2.188 4.527 ( -11.995 0.000 -0.491) 12.005 4.532 ( 1.192 0.000 -0.015) 1.192 4.634 ( 1.110 0.000 -2.691) 2.911 4.647 ( -0.297 0.000 1.308) 1.342 4.750 ( 1.696 0.000 -1.932) 2.571 4.815 ( 0.589 0.000 -0.324) 0.673 4.914 ( -2.051 0.000 -5.220) 5.608 4.937 ( -0.238 0.000 5.233) 5.238 5.066 ( -1.263 0.000 -0.895) 1.548 5.151 ( -0.991 0.000 -0.117) 0.998 5.187 ( 1.628 0.000 -1.373) 2.129 5.287 ( 1.241 0.000 0.713) 1.432 5.303 ( -1.912 0.000 2.354) 3.033 5.317 ( 1.395 0.000 0.319) 1.431 5.357 ( 0.710 0.000 -1.426) 1.592 5.423 ( 0.447 0.000 -0.858) 0.968 5.457 ( -0.146 0.000 -3.808) 3.811 5.544 ( -1.082 0.000 3.706) 3.860 5.554 ( 1.354 0.000 0.089) 1.357 5.590 ( 2.583 0.000 1.762) 3.127 5.652 ( -4.236 0.000 2.060) 4.711 5.675 ( 1.286 0.000 0.610) 1.424 5.723 ( -1.716 0.000 0.536) 1.798 5.763 ( -1.802 0.000 -1.742) 2.507 5.772 ( 2.980 0.000 2.039) 3.611 5.825 ( 0.444 0.000 -0.437) 0.623 5.849 ( 5.954 0.000 -3.349) 6.832 5.878 ( 3.354 0.000 2.415) 4.133 5.956 ( 0.199 0.000 0.108) 0.226 5.970 ( -1.076 0.000 -2.232) 2.478 6.035 ( -2.431 0.000 -3.843) 4.548 6.186 ( -4.065 0.000 4.780) 6.274 6.314 ( 3.343 0.000 4.692) 5.761 6.328 ( 0.906 0.000 0.159) 0.919 6.409 ( 1.466 0.000 -3.728) 4.006 6.455 ( -0.439 0.000 -1.594) 1.653 6.481 ( -1.814 0.000 -1.107) 2.125 6.715 ( 15.596 0.000 -0.059) 15.596 6.745 ( -2.862 0.000 -0.780) 2.966 6.804 ( 5.968 0.000 2.401) 6.433 6.865 ( -1.446 0.000 -0.961) 1.736 6.953 ( -2.413 0.000 4.279) 4.912 7.104 ( 1.207 0.000 -0.694) 1.393 7.129 ( -21.610 0.000 -0.227) 21.612 7.136 ( 3.414 0.000 -2.061) 3.988 ======================= Grid point 50 (18/60) ======================= q-point: ( 0.14 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.573 ( 7.620 0.000 15.278) 17.073 0.721 ( 10.005 0.000 16.772) 19.529 0.977 ( 2.976 0.000 -17.035) 17.293 0.989 ( 3.392 0.000 -17.211) 17.542 1.214 ( 16.827 0.000 25.371) 30.444 1.422 ( 5.988 0.000 -10.201) 11.829 1.649 ( -2.192 0.000 0.100) 2.194 1.700 ( -0.308 0.000 -2.451) 2.471 1.794 ( -8.572 0.000 2.792) 9.016 1.841 ( -2.436 0.000 -1.155) 2.695 1.953 ( -6.351 0.000 0.111) 6.352 1.962 ( -0.377 0.000 4.264) 4.281 2.092 ( 8.129 0.000 -3.018) 8.671 2.114 ( -1.648 0.000 -1.824) 2.458 2.219 ( -5.313 0.000 0.494) 5.336 2.226 ( 3.208 0.000 1.652) 3.608 2.367 ( -6.476 0.000 3.100) 7.179 2.422 ( 8.758 0.000 -2.703) 9.166 2.449 ( -2.041 0.000 -5.704) 6.059 2.549 ( 0.307 0.000 7.754) 7.761 2.574 ( -2.285 0.000 -1.541) 2.756 2.595 ( 2.634 0.000 -2.778) 3.828 2.737 ( -1.079 0.000 -2.090) 2.352 2.763 ( -1.511 0.000 -1.750) 2.312 2.814 ( -5.040 0.000 0.361) 5.053 2.837 ( 2.239 0.000 -1.984) 2.992 2.849 ( -3.765 0.000 -2.284) 4.403 2.884 ( 5.259 0.000 1.010) 5.356 2.963 ( -3.077 0.000 1.885) 3.609 2.988 ( 0.284 0.000 -4.526) 4.535 3.007 ( -4.302 0.000 3.077) 5.289 3.073 ( 1.828 0.000 3.470) 3.922 3.113 ( 1.349 0.000 3.546) 3.794 3.132 ( -0.508 0.000 0.202) 0.546 3.155 ( 0.701 0.000 -1.072) 1.281 3.183 ( 2.590 0.000 -0.617) 2.662 3.261 ( 3.423 0.000 0.756) 3.506 3.312 ( -1.248 0.000 -2.268) 2.589 3.329 ( 0.165 0.000 0.101) 0.193 3.336 ( 3.292 0.000 3.108) 4.527 3.356 ( 2.170 0.000 0.563) 2.242 3.382 ( -0.882 0.000 -3.328) 3.443 3.430 ( 0.717 0.000 1.263) 1.452 3.448 ( -1.057 0.000 -0.308) 1.101 3.475 ( -2.220 0.000 -0.349) 2.247 3.500 ( 3.360 0.000 0.561) 3.406 3.538 ( 2.026 0.000 1.427) 2.478 3.631 ( -1.119 0.000 -2.768) 2.986 3.688 ( 0.434 0.000 1.589) 1.647 3.760 ( 1.305 0.000 -3.343) 3.589 3.884 ( -3.425 0.000 -3.006) 4.557 3.949 ( -1.507 0.000 4.301) 4.557 3.996 ( 0.928 0.000 2.179) 2.369 4.039 ( 1.050 0.000 -4.033) 4.167 4.065 ( 1.025 0.000 2.402) 2.612 4.075 ( -0.535 0.000 -1.670) 1.754 4.131 ( -1.149 0.000 1.418) 1.825 4.181 ( -1.673 0.000 -1.446) 2.211 4.272 ( -2.944 0.000 -0.837) 3.060 4.278 ( -2.863 0.000 2.971) 4.126 4.369 ( -0.159 0.000 1.234) 1.244 4.402 ( 1.518 0.000 0.138) 1.524 4.447 ( 0.620 0.000 -1.544) 1.664 4.537 ( 1.089 0.000 3.077) 3.264 4.619 ( 4.976 0.000 1.313) 5.146 4.641 ( 2.221 0.000 -3.382) 4.047 4.658 ( 0.193 0.000 2.619) 2.626 4.742 ( -0.497 0.000 -3.364) 3.401 4.822 ( -0.182 0.000 1.971) 1.979 4.826 ( -2.206 0.000 -3.694) 4.302 5.003 ( 1.102 0.000 5.340) 5.453 5.017 ( -2.013 0.000 -0.835) 2.179 5.111 ( -3.058 0.000 -0.415) 3.086 5.182 ( -0.561 0.000 -1.692) 1.782 5.260 ( -5.078 0.000 0.836) 5.146 5.287 ( -0.389 0.000 -1.737) 1.780 5.328 ( -1.365 0.000 1.301) 1.886 5.340 ( -5.059 0.000 2.129) 5.488 5.404 ( -0.910 0.000 -3.515) 3.630 5.408 ( 2.134 0.000 -2.053) 2.962 5.549 ( -0.693 0.000 1.554) 1.702 5.568 ( -0.776 0.000 -0.380) 0.864 5.600 ( -4.282 0.000 1.901) 4.685 5.636 ( -0.806 0.000 2.704) 2.821 5.654 ( -1.812 0.000 -4.039) 4.427 5.712 ( 0.698 0.000 2.322) 2.424 5.719 ( -2.623 0.000 -0.294) 2.639 5.769 ( -1.851 0.000 0.354) 1.885 5.817 ( -0.628 0.000 -1.536) 1.659 5.885 ( -2.629 0.000 -1.715) 3.139 5.942 ( 3.262 0.000 -5.248) 6.179 5.944 ( 2.036 0.000 1.813) 2.727 5.966 ( 1.092 0.000 0.024) 1.093 6.003 ( 2.143 0.000 1.520) 2.628 6.189 ( -2.873 0.000 5.929) 6.588 6.322 ( -0.859 0.000 -1.691) 1.897 6.359 ( 0.189 0.000 0.107) 0.217 6.387 ( -1.489 0.000 -3.612) 3.907 6.438 ( 0.971 0.000 -0.687) 1.189 6.470 ( 2.199 0.000 1.459) 2.639 6.698 ( 0.863 0.000 -3.698) 3.797 6.720 ( -7.399 0.000 4.347) 8.581 6.817 ( -1.795 0.000 -1.212) 2.166 6.938 ( 0.206 0.000 3.477) 3.483 6.988 ( 6.985 0.000 1.524) 7.149 7.092 ( 7.195 0.000 -2.919) 7.765 7.119 ( 3.544 0.000 -2.759) 4.492 7.241 ( 5.625 0.000 3.593) 6.675 ======================= Grid point 51 (19/60) ======================= q-point: ( 0.29 0.00 -0.75) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.864 ( 10.747 0.000 4.149) 11.520 0.871 ( 8.636 0.000 -13.794) 16.275 0.964 ( 10.562 0.000 -4.783) 11.595 1.072 ( 9.414 0.000 12.835) 15.917 1.517 ( -6.062 0.000 -2.777) 6.668 1.520 ( 13.639 0.000 -7.423) 15.528 1.566 ( -9.207 0.000 2.526) 9.548 1.711 ( 9.672 0.000 2.367) 9.957 1.750 ( 0.065 0.000 1.507) 1.508 1.828 ( 1.483 0.000 1.507) 2.114 1.867 ( -2.463 0.000 -0.110) 2.465 1.974 ( -2.924 0.000 4.647) 5.491 2.075 ( -8.121 0.000 2.866) 8.612 2.130 ( 0.579 0.000 -5.793) 5.822 2.147 ( 2.571 0.000 -3.947) 4.711 2.283 ( -0.903 0.000 1.248) 1.540 2.325 ( -2.035 0.000 5.485) 5.851 2.343 ( -1.513 0.000 -3.804) 4.094 2.497 ( 3.748 0.000 -1.563) 4.061 2.505 ( -3.543 0.000 0.721) 3.616 2.612 ( 1.510 0.000 -2.506) 2.925 2.620 ( -3.193 0.000 2.083) 3.812 2.732 ( -0.106 0.000 -0.193) 0.220 2.735 ( 4.593 0.000 1.353) 4.789 2.743 ( -1.767 0.000 -0.605) 1.868 2.770 ( -4.265 0.000 2.494) 4.941 2.888 ( 3.889 0.000 -0.105) 3.890 2.893 ( -5.354 0.000 2.329) 5.839 2.980 ( 1.434 0.000 -1.830) 2.325 2.984 ( 0.501 0.000 0.950) 1.074 3.030 ( 5.281 0.000 1.719) 5.554 3.068 ( -1.397 0.000 -3.249) 3.536 3.152 ( 0.701 0.000 1.790) 1.922 3.153 ( 0.249 0.000 -0.959) 0.991 3.188 ( 4.354 0.000 3.092) 5.340 3.220 ( 1.657 0.000 -1.459) 2.208 3.230 ( -1.571 0.000 -2.397) 2.866 3.304 ( -2.618 0.000 -4.665) 5.350 3.320 ( 1.153 0.000 2.376) 2.641 3.368 ( -1.401 0.000 -1.197) 1.843 3.394 ( 6.161 0.000 1.135) 6.265 3.409 ( -0.107 0.000 -2.336) 2.338 3.434 ( 2.566 0.000 2.645) 3.685 3.441 ( -0.194 0.000 0.604) 0.634 3.514 ( 3.142 0.000 2.054) 3.754 3.525 ( -3.878 0.000 -4.961) 6.297 3.555 ( 0.930 0.000 0.632) 1.125 3.583 ( 2.371 0.000 0.631) 2.453 3.704 ( -2.068 0.000 2.634) 3.349 3.744 ( 0.814 0.000 -2.866) 2.979 3.847 ( 0.295 0.000 -0.946) 0.991 3.899 ( -6.439 0.000 2.046) 6.756 3.953 ( -4.233 0.000 -2.532) 4.932 4.024 ( -1.440 0.000 1.401) 2.009 4.062 ( -1.126 0.000 -2.730) 2.953 4.083 ( -0.026 0.000 -2.452) 2.452 4.147 ( 1.063 0.000 2.584) 2.794 4.161 ( 1.604 0.000 -0.701) 1.750 4.229 ( -1.989 0.000 2.371) 3.095 4.276 ( -1.286 0.000 2.810) 3.091 4.368 ( -1.054 0.000 0.920) 1.399 4.450 ( 3.556 0.000 -0.433) 3.583 4.458 ( 2.263 0.000 -1.745) 2.857 4.594 ( 0.865 0.000 3.342) 3.452 4.617 ( -0.446 0.000 -3.475) 3.503 4.649 ( 0.621 0.000 -0.445) 0.764 4.674 ( -1.048 0.000 -3.836) 3.976 4.716 ( -0.448 0.000 3.142) 3.174 4.790 ( -0.728 0.000 0.501) 0.884 4.880 ( 2.644 0.000 5.414) 6.025 5.000 ( 0.251 0.000 -0.353) 0.433 5.032 ( -1.803 0.000 -1.061) 2.093 5.090 ( -0.370 0.000 4.639) 4.654 5.144 ( -1.726 0.000 -1.025) 2.007 5.151 ( -7.193 0.000 -0.405) 7.204 5.244 ( -2.648 0.000 -1.453) 3.021 5.285 ( -2.674 0.000 1.543) 3.087 5.290 ( -3.535 0.000 -0.889) 3.645 5.377 ( -0.061 0.000 -0.389) 0.393 5.423 ( 1.068 0.000 -1.052) 1.499 5.498 ( -3.751 0.000 -3.133) 4.888 5.530 ( -3.192 0.000 0.639) 3.255 5.552 ( -0.169 0.000 0.382) 0.418 5.628 ( -1.934 0.000 -0.044) 1.935 5.647 ( 2.065 0.000 -0.943) 2.270 5.670 ( -2.335 0.000 -0.741) 2.450 5.699 ( -2.995 0.000 1.388) 3.301 5.774 ( 0.365 0.000 1.836) 1.872 5.788 ( -0.432 0.000 -1.603) 1.660 5.817 ( -2.520 0.000 -0.768) 2.634 5.955 ( 3.419 0.000 -5.617) 6.576 5.964 ( -1.565 0.000 0.506) 1.645 6.001 ( 1.466 0.000 1.527) 2.117 6.029 ( 1.142 0.000 -0.185) 1.157 6.194 ( -3.258 0.000 5.217) 6.151 6.306 ( 0.264 0.000 0.846) 0.886 6.327 ( -0.207 0.000 -4.346) 4.351 6.387 ( 3.012 0.000 0.464) 3.048 6.468 ( 2.252 0.000 -0.426) 2.292 6.501 ( 0.264 0.000 -0.604) 0.660 6.663 ( -4.858 0.000 4.907) 6.905 6.700 ( 3.129 0.000 -3.767) 4.897 6.798 ( 0.077 0.000 0.660) 0.664 6.981 ( 2.560 0.000 -1.425) 2.931 7.096 ( 3.243 0.000 2.055) 3.839 7.167 ( 5.303 0.000 -3.218) 6.203 7.174 ( 5.134 0.000 -1.092) 5.248 7.348 ( 0.993 0.000 4.649) 4.754 ======================= Grid point 52 (20/60) ======================= q-point: ( 0.43 0.00 -0.75) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.970 ( 13.728 0.000 -5.681) 14.857 1.013 ( 9.202 0.000 -0.518) 9.216 1.217 ( 11.430 0.000 6.016) 12.916 1.280 ( 0.950 0.000 5.155) 5.242 1.300 ( -10.940 0.000 -5.520) 12.254 1.389 ( -11.411 0.000 3.086) 11.821 1.681 ( 2.369 0.000 -1.869) 3.018 1.742 ( 5.176 0.000 -2.148) 5.604 1.787 ( 4.632 0.000 -6.211) 7.748 1.818 ( -2.071 0.000 -3.450) 4.024 1.891 ( -0.167 0.000 -1.106) 1.118 1.959 ( -2.626 0.000 -2.560) 3.667 2.023 ( -3.108 0.000 5.280) 6.127 2.027 ( 0.816 0.000 -5.781) 5.839 2.157 ( 1.197 0.000 -0.421) 1.269 2.265 ( -0.406 0.000 3.300) 3.325 2.314 ( -0.560 0.000 -0.834) 1.004 2.369 ( -0.776 0.000 3.864) 3.941 2.467 ( -3.415 0.000 -1.690) 3.810 2.498 ( -0.214 0.000 0.966) 0.989 2.583 ( 0.732 0.000 -3.294) 3.374 2.649 ( -2.840 0.000 4.107) 4.993 2.693 ( -1.127 0.000 4.521) 4.659 2.736 ( 0.394 0.000 -0.315) 0.505 2.762 ( 1.504 0.000 0.494) 1.583 2.855 ( -0.252 0.000 1.451) 1.472 2.886 ( 3.854 0.000 2.248) 4.462 2.925 ( 1.060 0.000 -0.069) 1.062 2.937 ( -4.375 0.000 -2.662) 5.121 2.989 ( 1.601 0.000 -0.101) 1.604 3.049 ( 2.537 0.000 -1.580) 2.989 3.080 ( -0.447 0.000 -1.544) 1.607 3.135 ( -0.567 0.000 -0.585) 0.815 3.169 ( -0.128 0.000 -1.515) 1.520 3.223 ( 0.854 0.000 0.178) 0.873 3.225 ( 2.642 0.000 -1.037) 2.838 3.250 ( -1.413 0.000 0.515) 1.504 3.289 ( -0.623 0.000 -0.184) 0.650 3.323 ( 0.592 0.000 0.272) 0.651 3.348 ( -0.108 0.000 0.823) 0.830 3.387 ( 3.725 0.000 -2.661) 4.578 3.439 ( 2.570 0.000 -1.251) 2.858 3.459 ( -1.097 0.000 -0.296) 1.136 3.520 ( 4.651 0.000 1.687) 4.948 3.524 ( 3.101 0.000 2.488) 3.976 3.539 ( -1.803 0.000 0.151) 1.809 3.556 ( 0.471 0.000 0.261) 0.539 3.600 ( -1.285 0.000 -1.038) 1.652 3.660 ( -6.069 0.000 3.878) 7.202 3.761 ( 2.642 0.000 0.025) 2.642 3.820 ( -3.713 0.000 1.711) 4.088 3.828 ( -0.422 0.000 -1.814) 1.863 3.892 ( -1.843 0.000 1.249) 2.226 3.973 ( -1.778 0.000 -2.576) 3.130 4.021 ( 0.751 0.000 -2.950) 3.044 4.090 ( 1.851 0.000 -1.951) 2.689 4.148 ( -2.077 0.000 -0.440) 2.123 4.177 ( 1.023 0.000 -1.530) 1.840 4.246 ( -0.630 0.000 4.507) 4.551 4.281 ( -1.156 0.000 2.076) 2.376 4.371 ( -0.551 0.000 2.823) 2.877 4.484 ( 2.058 0.000 -0.632) 2.153 4.486 ( 1.685 0.000 -2.315) 2.864 4.595 ( 1.261 0.000 -0.501) 1.357 4.605 ( -1.328 0.000 0.651) 1.479 4.654 ( -1.125 0.000 -0.578) 1.265 4.657 ( 1.660 0.000 -0.899) 1.888 4.712 ( -1.498 0.000 1.505) 2.123 4.800 ( -0.147 0.000 3.263) 3.266 4.933 ( -2.140 0.000 -0.971) 2.350 4.999 ( 0.373 0.000 -1.367) 1.417 5.032 ( -0.482 0.000 2.778) 2.819 5.041 ( -1.329 0.000 2.335) 2.687 5.111 ( -1.119 0.000 -0.905) 1.440 5.120 ( -2.183 0.000 0.040) 2.183 5.193 ( -1.502 0.000 -0.218) 1.518 5.213 ( -1.424 0.000 -0.873) 1.670 5.274 ( 0.012 0.000 0.647) 0.647 5.364 ( 0.137 0.000 -0.656) 0.670 5.423 ( 0.030 0.000 -1.038) 1.038 5.480 ( -0.271 0.000 4.060) 4.069 5.505 ( -0.225 0.000 0.798) 0.829 5.543 ( -0.463 0.000 -1.364) 1.440 5.590 ( 0.041 0.000 -2.072) 2.072 5.629 ( -0.990 0.000 -0.774) 1.256 5.676 ( 1.848 0.000 -0.095) 1.851 5.678 ( -2.100 0.000 2.367) 3.165 5.771 ( -1.548 0.000 -1.970) 2.506 5.774 ( 0.659 0.000 -1.591) 1.722 5.789 ( -0.861 0.000 1.468) 1.701 5.937 ( -1.211 0.000 0.168) 1.223 5.945 ( 2.203 0.000 -4.594) 5.095 6.040 ( 1.283 0.000 0.892) 1.563 6.049 ( 0.827 0.000 0.611) 1.028 6.188 ( -3.544 0.000 4.750) 5.926 6.277 ( -0.102 0.000 -2.967) 2.969 6.349 ( 1.870 0.000 1.722) 2.543 6.449 ( 2.679 0.000 0.796) 2.794 6.470 ( -1.453 0.000 -2.777) 3.134 6.497 ( 1.325 0.000 -0.354) 1.372 6.642 ( -3.283 0.000 3.794) 5.017 6.711 ( 2.407 0.000 -2.903) 3.771 6.821 ( 0.275 0.000 2.178) 2.196 6.985 ( 1.146 0.000 -3.831) 3.999 7.138 ( 0.548 0.000 0.277) 0.615 7.215 ( 3.876 0.000 -3.754) 5.396 7.249 ( 2.799 0.000 2.251) 3.592 7.362 ( -2.881 0.000 1.958) 3.484 ======================= Grid point 53 (21/60) ======================= q-point: (-0.43 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.993 ( -16.467 0.000 -4.055) 16.959 1.034 ( -11.110 0.000 -3.591) 11.675 1.184 ( 6.327 0.000 4.629) 7.840 1.258 ( 9.190 0.000 -3.684) 9.901 1.340 ( -3.750 0.000 11.302) 11.908 1.457 ( 8.352 0.000 2.978) 8.867 1.611 ( -6.061 0.000 -8.727) 10.625 1.666 ( -8.482 0.000 -8.262) 11.841 1.759 ( -0.828 0.000 1.676) 1.869 1.832 ( 0.809 0.000 -2.998) 3.105 1.853 ( 1.235 0.000 0.554) 1.353 1.877 ( 0.108 0.000 -1.515) 1.519 1.993 ( -3.802 0.000 0.133) 3.805 2.101 ( 6.474 0.000 -1.714) 6.697 2.147 ( 0.433 0.000 -0.191) 0.473 2.251 ( 0.186 0.000 -3.703) 3.707 2.378 ( 2.259 0.000 -2.871) 3.653 2.410 ( 3.703 0.000 4.682) 5.970 2.437 ( -4.888 0.000 6.380) 8.037 2.502 ( 4.218 0.000 0.413) 4.238 2.611 ( 0.031 0.000 0.529) 0.530 2.631 ( 1.305 0.000 3.981) 4.189 2.670 ( -0.527 0.000 -1.806) 1.882 2.730 ( 1.328 0.000 -2.699) 3.008 2.784 ( -7.288 0.000 0.988) 7.355 2.825 ( 0.609 0.000 1.593) 1.705 2.893 ( 1.368 0.000 3.810) 4.048 2.940 ( 0.938 0.000 -0.706) 1.174 2.945 ( -0.863 0.000 -0.759) 1.149 3.024 ( 3.154 0.000 -1.117) 3.346 3.033 ( -2.048 0.000 -1.279) 2.414 3.090 ( 1.455 0.000 1.164) 1.864 3.125 ( -0.532 0.000 -0.676) 0.860 3.133 ( -2.983 0.000 -2.906) 4.164 3.198 ( -5.206 0.000 -1.024) 5.305 3.217 ( 0.678 0.000 -0.046) 0.679 3.248 ( 2.811 0.000 -0.307) 2.828 3.295 ( 4.220 0.000 0.192) 4.225 3.333 ( -2.489 0.000 -1.425) 2.868 3.359 ( 2.107 0.000 -0.639) 2.202 3.438 ( -1.844 0.000 0.386) 1.884 3.440 ( -4.550 0.000 -1.742) 4.872 3.466 ( 0.191 0.000 2.648) 2.655 3.505 ( 2.637 0.000 1.850) 3.221 3.511 ( -3.683 0.000 -0.283) 3.693 3.528 ( -4.966 0.000 0.474) 4.988 3.559 ( 1.323 0.000 -1.862) 2.284 3.622 ( 1.949 0.000 1.124) 2.250 3.665 ( 1.296 0.000 3.287) 3.533 3.808 ( -0.134 0.000 0.893) 0.903 3.808 ( 2.238 0.000 1.379) 2.628 3.837 ( 3.400 0.000 -1.751) 3.824 3.899 ( 1.138 0.000 1.267) 1.703 3.941 ( 1.207 0.000 -2.224) 2.531 4.032 ( -3.164 0.000 -4.080) 5.163 4.035 ( 2.976 0.000 -0.893) 3.107 4.141 ( -0.200 0.000 0.752) 0.778 4.171 ( 0.426 0.000 -1.467) 1.528 4.280 ( -0.190 0.000 3.219) 3.225 4.280 ( -1.643 0.000 2.589) 3.066 4.395 ( -0.435 0.000 2.449) 2.487 4.452 ( -2.001 0.000 -3.028) 3.629 4.521 ( 1.881 0.000 1.950) 2.709 4.569 ( -1.986 0.000 -2.355) 3.081 4.610 ( -0.989 0.000 -2.651) 2.830 4.649 ( 3.542 0.000 0.895) 3.653 4.687 ( -2.030 0.000 -0.614) 2.121 4.696 ( 2.578 0.000 0.899) 2.730 4.863 ( 1.568 0.000 7.039) 7.211 4.878 ( -2.648 0.000 1.733) 3.164 4.981 ( -0.405 0.000 -1.734) 1.780 4.990 ( -3.147 0.000 -4.547) 5.529 5.057 ( 0.962 0.000 1.948) 2.173 5.097 ( 1.528 0.000 -1.206) 1.947 5.149 ( 1.850 0.000 5.460) 5.765 5.190 ( 0.810 0.000 -0.533) 0.970 5.224 ( 1.871 0.000 -0.998) 2.120 5.298 ( 2.466 0.000 -0.281) 2.482 5.394 ( 3.059 0.000 0.527) 3.104 5.408 ( 0.664 0.000 -2.042) 2.147 5.510 ( -0.255 0.000 2.472) 2.485 5.515 ( -0.666 0.000 -1.642) 1.772 5.533 ( 0.914 0.000 1.773) 1.995 5.585 ( 1.071 0.000 -2.249) 2.491 5.636 ( 1.810 0.000 0.973) 2.055 5.673 ( -0.832 0.000 1.862) 2.040 5.712 ( 0.878 0.000 2.502) 2.651 5.719 ( -0.930 0.000 -3.807) 3.919 5.770 ( -1.526 0.000 -1.323) 2.020 5.778 ( 1.595 0.000 -1.095) 1.934 5.925 ( -0.027 0.000 -1.191) 1.191 5.955 ( 3.022 0.000 -1.942) 3.592 6.055 ( 0.106 0.000 -0.186) 0.214 6.061 ( -0.496 0.000 0.607) 0.784 6.169 ( -3.911 0.000 3.985) 5.583 6.275 ( 1.919 0.000 -0.504) 1.984 6.391 ( 0.995 0.000 1.355) 1.681 6.406 ( -2.480 0.000 -2.404) 3.454 6.482 ( 0.376 0.000 0.119) 0.394 6.496 ( -0.851 0.000 -0.773) 1.150 6.622 ( -2.781 0.000 2.296) 3.606 6.733 ( 2.942 0.000 -1.541) 3.321 6.838 ( -1.622 0.000 3.149) 3.542 6.942 ( -1.213 0.000 -4.364) 4.529 7.122 ( -2.735 0.000 0.185) 2.742 7.208 ( -0.037 0.000 -3.919) 3.919 7.314 ( -3.272 0.000 -0.105) 3.273 7.317 ( 1.737 0.000 4.002) 4.363 ======================= Grid point 54 (22/60) ======================= q-point: (-0.29 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.646 ( -18.564 0.000 -3.864) 18.962 0.709 ( -19.446 0.000 -2.698) 19.632 1.188 ( -25.666 0.000 0.000) 25.666 1.360 ( 0.234 0.000 -2.994) 3.003 1.379 ( -0.684 0.000 5.774) 5.814 1.401 ( -0.006 0.000 -2.012) 2.012 1.496 ( 3.959 0.000 4.784) 6.209 1.574 ( 3.165 0.000 -4.850) 5.791 1.769 ( 1.986 0.000 2.589) 3.262 1.853 ( 3.837 0.000 -1.007) 3.967 1.896 ( -3.648 0.000 -2.712) 4.546 1.930 ( 3.562 0.000 3.723) 5.153 1.959 ( 7.432 0.000 0.090) 7.433 2.148 ( 1.940 0.000 -3.009) 3.580 2.200 ( 4.085 0.000 1.397) 4.317 2.227 ( -0.659 0.000 -0.927) 1.137 2.337 ( -4.418 0.000 -1.346) 4.618 2.438 ( -2.077 0.000 3.833) 4.360 2.459 ( 3.603 0.000 -2.672) 4.486 2.577 ( 1.054 0.000 -3.455) 3.612 2.597 ( -3.455 0.000 2.336) 4.171 2.638 ( 0.947 0.000 4.694) 4.789 2.712 ( 2.162 0.000 -5.958) 6.338 2.799 ( -1.570 0.000 1.472) 2.152 2.801 ( 6.704 0.000 1.359) 6.841 2.816 ( 5.724 0.000 5.400) 7.869 2.900 ( -3.624 0.000 3.069) 4.749 2.932 ( -1.654 0.000 -1.742) 2.402 2.949 ( 1.593 0.000 2.155) 2.680 2.999 ( -3.875 0.000 1.195) 4.055 3.013 ( -2.617 0.000 -4.768) 5.439 3.033 ( -2.097 0.000 -4.018) 4.533 3.091 ( 0.630 0.000 -0.235) 0.673 3.113 ( -0.345 0.000 2.396) 2.420 3.167 ( 0.173 0.000 1.194) 1.206 3.232 ( -2.159 0.000 -0.758) 2.288 3.284 ( 0.335 0.000 0.839) 0.904 3.315 ( 1.733 0.000 -2.671) 3.184 3.317 ( -2.339 0.000 -2.420) 3.365 3.320 ( -2.150 0.000 -0.709) 2.264 3.370 ( 1.763 0.000 -0.567) 1.852 3.379 ( -3.171 0.000 -1.228) 3.400 3.442 ( -4.135 0.000 1.644) 4.450 3.468 ( -0.685 0.000 0.496) 0.846 3.504 ( -0.120 0.000 2.992) 2.994 3.541 ( -0.643 0.000 -0.088) 0.649 3.570 ( -1.426 0.000 -0.399) 1.480 3.603 ( -2.527 0.000 -2.634) 3.650 3.684 ( -0.899 0.000 0.401) 0.984 3.835 ( 2.744 0.000 0.041) 2.744 3.843 ( 2.110 0.000 -1.767) 2.752 3.899 ( 0.340 0.000 4.556) 4.568 3.946 ( -1.732 0.000 -3.171) 3.613 3.961 ( 7.053 0.000 -2.257) 7.405 3.975 ( 3.041 0.000 0.158) 3.045 4.085 ( 3.112 0.000 -0.965) 3.258 4.133 ( -1.222 0.000 0.910) 1.524 4.169 ( 0.888 0.000 -0.568) 1.054 4.289 ( -0.735 0.000 3.208) 3.291 4.293 ( -0.754 0.000 0.347) 0.830 4.392 ( -2.209 0.000 1.261) 2.543 4.397 ( -1.199 0.000 -0.379) 1.257 4.513 ( -1.403 0.000 -2.174) 2.587 4.572 ( -0.377 0.000 -2.511) 2.539 4.585 ( 1.166 0.000 5.352) 5.477 4.644 ( -1.218 0.000 -1.486) 1.922 4.690 ( 1.606 0.000 -1.092) 1.942 4.744 ( 0.531 0.000 0.667) 0.852 4.873 ( -1.114 0.000 0.222) 1.136 4.898 ( -2.838 0.000 -0.288) 2.853 4.938 ( 0.625 0.000 1.493) 1.619 5.021 ( 3.349 0.000 7.126) 7.874 5.107 ( 2.017 0.000 1.750) 2.670 5.151 ( 4.205 0.000 -0.900) 4.300 5.199 ( 3.585 0.000 -1.682) 3.960 5.228 ( 1.736 0.000 3.498) 3.905 5.248 ( 2.668 0.000 -1.342) 2.986 5.328 ( 2.925 0.000 -4.798) 5.619 5.418 ( 3.110 0.000 -1.876) 3.632 5.454 ( 3.416 0.000 -1.115) 3.593 5.498 ( -1.460 0.000 1.875) 2.376 5.520 ( -0.501 0.000 1.421) 1.506 5.575 ( 0.421 0.000 -1.331) 1.396 5.578 ( 2.723 0.000 2.126) 3.455 5.642 ( -0.276 0.000 -8.417) 8.422 5.685 ( 1.049 0.000 1.984) 2.244 5.699 ( -0.247 0.000 1.275) 1.299 5.727 ( 0.637 0.000 -2.429) 2.511 5.753 ( 0.890 0.000 2.472) 2.628 5.807 ( 2.043 0.000 0.085) 2.044 5.899 ( -0.758 0.000 -2.829) 2.928 5.990 ( 1.402 0.000 -0.262) 1.427 6.039 ( -2.589 0.000 0.149) 2.593 6.045 ( 0.246 0.000 -1.594) 1.613 6.148 ( -3.125 0.000 4.622) 5.580 6.309 ( 1.819 0.000 -0.609) 1.918 6.341 ( -2.821 0.000 -1.737) 3.312 6.417 ( 0.994 0.000 0.593) 1.158 6.467 ( -0.755 0.000 -0.392) 0.850 6.473 ( -0.867 0.000 0.033) 0.868 6.590 ( -3.158 0.000 1.126) 3.353 6.775 ( 2.957 0.000 -0.775) 3.057 6.836 ( -2.319 0.000 3.757) 4.415 6.861 ( -3.148 0.000 -3.468) 4.683 7.053 ( -5.665 0.000 0.944) 5.743 7.153 ( -1.842 0.000 -2.469) 3.080 7.250 ( -3.432 0.000 -1.620) 3.795 7.396 ( 1.966 0.000 5.162) 5.524 ======================= Grid point 55 (23/60) ======================= q-point: (-0.14 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.338 ( -15.833 0.000 8.133) 17.800 0.388 ( -18.507 0.000 8.291) 20.279 0.704 ( -32.515 0.000 15.107) 35.853 1.194 ( -0.446 0.000 -14.329) 14.336 1.357 ( -1.613 0.000 -11.610) 11.721 1.519 ( -1.644 0.000 9.250) 9.395 1.610 ( 8.843 0.000 -0.876) 8.886 1.648 ( 2.755 0.000 9.452) 9.846 1.774 ( -3.521 0.000 -3.487) 4.955 1.854 ( 4.196 0.000 0.958) 4.304 1.942 ( 7.751 0.000 -0.202) 7.754 2.040 ( 2.649 0.000 4.225) 4.987 2.099 ( 5.664 0.000 -1.045) 5.760 2.100 ( -2.834 0.000 -4.181) 5.051 2.186 ( -5.095 0.000 1.732) 5.381 2.217 ( -6.674 0.000 -1.450) 6.830 2.307 ( 5.572 0.000 2.924) 6.293 2.419 ( -5.221 0.000 5.743) 7.762 2.480 ( 3.812 0.000 -5.595) 6.771 2.557 ( 3.103 0.000 -5.784) 6.564 2.557 ( -4.330 0.000 3.467) 5.547 2.665 ( -2.207 0.000 2.387) 3.251 2.749 ( 5.675 0.000 -3.610) 6.726 2.769 ( 0.172 0.000 -3.205) 3.210 2.850 ( 1.078 0.000 -4.000) 4.143 2.861 ( -3.734 0.000 1.062) 3.882 2.877 ( 1.776 0.000 -2.761) 3.283 2.930 ( 0.610 0.000 0.335) 0.696 2.953 ( 0.513 0.000 2.861) 2.906 2.980 ( -0.474 0.000 3.306) 3.340 3.026 ( -0.341 0.000 2.596) 2.618 3.050 ( 5.816 0.000 2.499) 6.330 3.097 ( -1.591 0.000 0.031) 1.591 3.116 ( 0.236 0.000 -3.101) 3.110 3.181 ( -0.570 0.000 3.095) 3.148 3.183 ( -1.868 0.000 -0.646) 1.977 3.216 ( -2.357 0.000 0.675) 2.452 3.234 ( -0.540 0.000 -0.659) 0.852 3.304 ( -2.478 0.000 -1.898) 3.122 3.338 ( -1.437 0.000 1.446) 2.039 3.346 ( -0.648 0.000 -0.592) 0.878 3.413 ( 2.859 0.000 -0.299) 2.874 3.459 ( 1.156 0.000 -0.230) 1.179 3.469 ( 0.567 0.000 2.591) 2.652 3.475 ( -2.844 0.000 -5.209) 5.935 3.513 ( -1.039 0.000 -0.418) 1.120 3.521 ( -3.116 0.000 1.236) 3.352 3.538 ( -1.071 0.000 2.963) 3.150 3.673 ( -0.720 0.000 0.605) 0.941 3.802 ( -2.442 0.000 -4.490) 5.111 3.858 ( -0.456 0.000 -1.507) 1.575 3.919 ( 1.537 0.000 1.166) 1.930 3.945 ( -1.899 0.000 2.807) 3.389 4.037 ( 2.113 0.000 1.075) 2.370 4.057 ( 6.176 0.000 -0.734) 6.220 4.125 ( 4.212 0.000 -1.406) 4.441 4.127 ( -0.721 0.000 0.977) 1.215 4.178 ( -0.739 0.000 -0.985) 1.231 4.291 ( 0.710 0.000 0.600) 0.930 4.310 ( 0.389 0.000 0.629) 0.739 4.356 ( -2.687 0.000 1.522) 3.088 4.388 ( -0.745 0.000 0.537) 0.919 4.482 ( 0.323 0.000 -1.707) 1.737 4.545 ( -1.086 0.000 -0.527) 1.207 4.632 ( 0.708 0.000 0.044) 0.709 4.652 ( 0.336 0.000 0.117) 0.356 4.697 ( 0.935 0.000 -2.697) 2.855 4.736 ( -0.259 0.000 3.175) 3.186 4.824 ( -0.564 0.000 -2.535) 2.597 4.904 ( -1.482 0.000 4.573) 4.807 4.986 ( 2.505 0.000 -0.689) 2.598 5.077 ( -1.073 0.000 -2.605) 2.818 5.147 ( 1.017 0.000 0.642) 1.203 5.187 ( 1.947 0.000 1.743) 2.613 5.277 ( 1.458 0.000 1.528) 2.112 5.281 ( 1.530 0.000 -8.580) 8.716 5.289 ( 1.943 0.000 0.537) 2.015 5.339 ( 6.970 0.000 1.655) 7.164 5.429 ( -3.472 0.000 -6.385) 7.268 5.476 ( 2.221 0.000 -3.508) 4.152 5.482 ( 0.589 0.000 2.683) 2.747 5.533 ( 0.306 0.000 1.288) 1.324 5.556 ( 0.447 0.000 2.032) 2.081 5.606 ( 3.468 0.000 1.225) 3.678 5.666 ( 1.749 0.000 5.012) 5.308 5.680 ( -0.476 0.000 -0.039) 0.478 5.698 ( -0.198 0.000 0.091) 0.218 5.782 ( 3.944 0.000 1.452) 4.203 5.788 ( 0.711 0.000 1.231) 1.421 5.831 ( 0.582 0.000 -0.193) 0.614 5.846 ( -1.451 0.000 -2.628) 3.002 5.986 ( -3.114 0.000 0.100) 3.115 5.987 ( -0.193 0.000 0.039) 0.197 6.043 ( 1.401 0.000 -2.072) 2.501 6.177 ( -0.052 0.000 6.867) 6.868 6.263 ( -4.897 0.000 -0.111) 4.898 6.317 ( 0.600 0.000 -0.852) 1.042 6.419 ( 1.346 0.000 -2.970) 3.261 6.465 ( 0.257 0.000 -0.901) 0.937 6.486 ( 0.812 0.000 1.321) 1.551 6.547 ( -2.777 0.000 2.739) 3.901 6.788 ( -2.110 0.000 -0.467) 2.161 6.788 ( -1.888 0.000 0.691) 2.010 6.856 ( 1.447 0.000 1.270) 1.925 6.972 ( -5.153 0.000 2.778) 5.855 7.108 ( -1.015 0.000 -1.365) 1.701 7.170 ( -2.666 0.000 -2.773) 3.847 7.456 ( -0.161 0.000 -3.614) 3.617 ======================= Grid point 56 (24/60) ======================= q-point: ( 0.00 0.14 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.436 ( -0.252 9.862 11.938) 15.487 0.534 ( -4.602 14.257 13.435) 20.123 0.931 ( 3.289 18.789 24.749) 31.247 1.083 ( 0.543 -5.333 -16.773) 17.609 1.125 ( 2.625 3.745 -13.389) 14.149 1.530 ( -2.865 0.560 0.179) 2.925 1.596 ( -0.928 -6.226 0.817) 6.348 1.682 ( 0.412 -4.217 4.516) 6.192 1.707 ( -0.699 -4.321 -1.214) 4.542 1.846 ( -0.400 -9.600 0.167) 9.610 1.970 ( 3.532 -0.319 -3.037) 4.669 2.006 ( -3.898 -4.748 -0.778) 6.192 2.049 ( -2.531 -3.109 -1.579) 4.309 2.100 ( 5.563 -3.547 0.143) 6.599 2.163 ( -0.121 2.996 -2.669) 4.014 2.187 ( -2.111 -0.282 -2.616) 3.373 2.315 ( -1.700 -2.061 1.958) 3.312 2.381 ( 0.895 -3.905 1.909) 4.438 2.457 ( -2.169 1.479 3.143) 4.095 2.521 ( 5.003 -0.911 -3.779) 6.336 2.620 ( -0.142 0.388 0.117) 0.429 2.671 ( -1.472 0.126 -0.531) 1.570 2.731 ( 0.438 0.427 -0.572) 0.837 2.754 ( 0.021 -1.171 -2.087) 2.393 2.805 ( 0.139 -4.314 -2.577) 5.027 2.835 ( 1.213 -5.348 -2.762) 6.140 2.850 ( -0.591 -1.440 -3.074) 3.446 2.897 ( 0.483 -0.074 -1.128) 1.230 2.945 ( 0.545 -2.844 -0.260) 2.907 2.964 ( -1.313 -2.896 -0.372) 3.201 3.011 ( -1.499 0.153 -0.027) 1.507 3.053 ( -0.728 -0.026 -0.229) 0.764 3.070 ( -1.466 -5.258 1.235) 5.596 3.111 ( 1.480 0.168 1.723) 2.278 3.137 ( -2.046 -0.694 2.935) 3.644 3.157 ( 0.949 -3.502 2.467) 4.388 3.173 ( 2.028 0.687 -0.195) 2.150 3.259 ( -0.302 -0.416 0.861) 1.003 3.311 ( 1.102 -0.729 0.926) 1.613 3.338 ( -0.219 -1.753 1.577) 2.368 3.355 ( -0.114 0.721 -0.942) 1.192 3.387 ( 2.109 2.003 -1.952) 3.503 3.434 ( 0.310 -0.783 -0.995) 1.304 3.469 ( 0.134 2.558 -0.523) 2.615 3.536 ( -3.054 2.539 2.698) 4.801 3.561 ( -0.125 3.304 0.565) 3.355 3.597 ( 0.326 6.568 -0.394) 6.588 3.598 ( 1.173 0.499 -0.019) 1.275 3.689 ( -0.580 1.742 0.381) 1.875 3.758 ( 1.157 1.496 -3.631) 4.094 3.854 ( 2.423 -1.557 2.509) 3.819 3.962 ( 0.217 0.266 -0.807) 0.877 3.994 ( -3.456 -1.425 0.929) 3.852 4.024 ( -1.147 3.107 4.130) 5.294 4.079 ( 0.216 -0.956 -1.993) 2.221 4.114 ( -0.356 -0.035 -1.268) 1.317 4.167 ( 1.899 0.162 -0.117) 1.909 4.187 ( 1.555 3.042 0.277) 3.428 4.224 ( -0.007 -2.998 3.231) 4.407 4.306 ( -1.815 -1.959 0.355) 2.694 4.361 ( -0.518 1.363 1.855) 2.359 4.450 ( 1.839 1.588 -1.471) 2.840 4.464 ( -0.228 -2.620 0.218) 2.639 4.505 ( -1.066 -0.592 -2.990) 3.229 4.579 ( -2.330 3.846 2.527) 5.158 4.633 ( 0.270 -2.119 1.209) 2.454 4.681 ( -0.788 -3.814 -0.779) 3.972 4.692 ( 0.906 3.561 -2.211) 4.288 4.813 ( 1.112 -1.257 0.611) 1.786 4.877 ( -0.027 -0.680 -1.392) 1.549 5.002 ( -1.404 2.518 0.037) 2.884 5.069 ( -0.009 0.742 -0.576) 0.939 5.152 ( 0.772 -2.117 -0.700) 2.360 5.204 ( -1.375 1.333 -4.054) 4.483 5.255 ( -1.008 -1.761 2.240) 3.022 5.321 ( 0.148 1.037 0.248) 1.077 5.353 ( -0.711 0.618 1.413) 1.698 5.375 ( 0.700 3.623 -1.382) 3.940 5.428 ( 0.391 0.659 -0.390) 0.860 5.482 ( 0.563 1.674 -5.680) 5.948 5.543 ( 0.034 0.580 2.144) 2.222 5.570 ( 1.496 0.265 0.150) 1.527 5.604 ( 1.764 2.388 3.255) 4.406 5.632 ( -2.375 -1.336 2.471) 3.679 5.683 ( 0.763 0.253 0.374) 0.887 5.717 ( 3.049 0.268 1.445) 3.384 5.742 ( -2.714 -0.174 -3.021) 4.064 5.765 ( -0.200 -1.481 0.975) 1.784 5.814 ( -0.292 0.011 -0.272) 0.399 5.839 ( -0.785 -0.314 -0.804) 1.167 5.914 ( 3.774 -0.610 0.180) 3.827 5.933 ( 0.734 -0.760 -1.485) 1.822 5.995 ( 0.278 0.781 -1.819) 1.999 6.023 ( -2.216 -1.566 -3.221) 4.211 6.226 ( -3.443 3.550 4.778) 6.876 6.310 ( 2.647 0.178 4.737) 5.429 6.375 ( 0.513 3.374 -1.376) 3.680 6.433 ( -0.516 -0.006 -2.992) 3.036 6.470 ( 0.777 3.240 -2.781) 4.340 6.503 ( -1.505 2.290 -0.990) 2.914 6.697 ( 11.739 -2.118 0.929) 11.965 6.737 ( -0.545 -1.050 -1.301) 1.758 6.791 ( 1.892 -0.221 2.421) 3.081 6.866 ( 0.348 0.863 -1.060) 1.411 6.966 ( -9.932 -1.036 4.837) 11.095 6.994 ( -8.133 -3.424 4.537) 9.922 7.092 ( 2.902 -2.587 0.633) 3.939 7.128 ( 1.839 -1.182 -2.020) 2.976 ======================= Grid point 57 (25/60) ======================= q-point: ( 0.14 0.14 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.678 ( 8.127 6.847 13.022) 16.808 0.713 ( 8.564 4.789 15.227) 18.115 0.914 ( 4.144 -1.954 -15.801) 16.452 1.063 ( 6.546 5.272 -15.480) 17.615 1.364 ( 12.406 11.683 19.320) 25.762 1.480 ( 1.657 3.735 -4.770) 6.281 1.614 ( 1.143 -3.884 -0.080) 4.049 1.649 ( 1.411 -3.386 -2.635) 4.516 1.726 ( -3.245 -5.934 3.763) 7.740 1.806 ( -3.214 -3.762 -0.258) 4.955 1.923 ( -3.746 -0.811 -0.772) 3.909 1.984 ( -2.039 -1.911 1.495) 3.169 2.051 ( 3.274 -5.123 -0.913) 6.148 2.116 ( 3.109 -3.993 -3.055) 5.911 2.144 ( -1.908 -4.774 -0.749) 5.196 2.157 ( -0.857 0.058 1.379) 1.625 2.289 ( -1.622 -3.500 -2.136) 4.410 2.405 ( -1.296 -0.294 -0.979) 1.650 2.491 ( 3.519 -0.460 2.287) 4.222 2.542 ( -0.050 -4.198 1.927) 4.620 2.592 ( -3.939 3.267 -0.994) 5.213 2.612 ( -1.343 1.200 -1.764) 2.521 2.707 ( 0.579 -1.101 -0.772) 1.464 2.766 ( -1.134 -1.930 -0.655) 2.333 2.778 ( -0.863 -4.533 -0.774) 4.679 2.819 ( 0.675 -2.864 0.569) 2.997 2.859 ( -2.153 0.466 -1.284) 2.550 2.868 ( -0.797 0.296 -2.667) 2.799 2.916 ( 2.262 -3.055 -2.495) 4.547 2.946 ( -3.059 -1.004 2.576) 4.123 2.997 ( 1.215 -2.570 0.174) 2.848 3.036 ( -2.310 -2.790 1.294) 3.847 3.090 ( 1.618 -3.146 -0.232) 3.545 3.124 ( -0.752 -2.504 0.600) 2.683 3.154 ( 2.902 2.116 1.652) 3.953 3.201 ( 1.143 -4.079 -1.987) 4.679 3.217 ( -1.074 -0.052 1.630) 1.952 3.264 ( 3.568 -0.863 2.988) 4.733 3.308 ( -2.244 1.064 -1.763) 3.045 3.346 ( 0.492 -0.788 0.131) 0.938 3.365 ( 2.819 -1.271 0.183) 3.098 3.393 ( 0.320 1.586 -1.170) 1.996 3.442 ( 0.550 1.629 -1.201) 2.097 3.497 ( 0.240 2.780 -1.149) 3.017 3.519 ( 0.408 -0.088 2.073) 2.114 3.551 ( -1.105 3.786 0.792) 4.022 3.575 ( 0.525 3.787 -0.145) 3.826 3.618 ( -0.595 0.400 -0.670) 0.981 3.698 ( 0.507 0.946 1.380) 1.748 3.765 ( 2.843 1.974 -3.054) 4.616 3.894 ( -2.465 1.167 -2.804) 3.912 3.950 ( 3.063 -1.630 3.822) 5.162 3.967 ( -2.347 -0.872 0.216) 2.513 4.040 ( -1.163 0.089 2.456) 2.719 4.064 ( -2.609 -0.297 -1.649) 3.101 4.086 ( 0.852 0.977 0.451) 1.372 4.180 ( 0.261 0.538 -0.302) 0.670 4.189 ( -0.715 3.548 -2.123) 4.196 4.247 ( -2.767 -2.093 3.809) 5.153 4.256 ( -2.325 -1.032 -0.342) 2.567 4.380 ( 0.010 0.883 1.352) 1.615 4.424 ( -1.803 0.707 0.228) 1.950 4.446 ( 1.566 0.541 -1.517) 2.246 4.541 ( 3.985 -3.674 -0.278) 5.428 4.582 ( -0.476 1.693 1.126) 2.088 4.638 ( -0.793 -3.083 -0.602) 3.240 4.671 ( 1.592 -1.367 0.755) 2.230 4.717 ( 2.219 3.520 -0.946) 4.267 4.822 ( -1.098 0.098 -1.484) 1.849 4.864 ( 1.129 1.482 -0.976) 2.103 5.011 ( -0.354 0.898 2.862) 3.020 5.042 ( -1.297 1.412 0.161) 1.924 5.114 ( -3.242 0.209 -1.197) 3.462 5.164 ( -0.274 -0.955 -1.345) 1.673 5.236 ( -3.890 -1.081 1.458) 4.293 5.314 ( -1.173 1.148 -0.086) 1.644 5.340 ( -4.147 -0.299 1.996) 4.612 5.360 ( -2.716 3.286 0.325) 4.276 5.400 ( 0.079 0.064 -2.113) 2.116 5.430 ( 0.311 1.040 -3.678) 3.835 5.551 ( -2.135 -0.296 0.411) 2.194 5.570 ( -1.142 0.731 -0.106) 1.360 5.595 ( -2.553 -0.492 1.291) 2.902 5.634 ( -1.770 0.678 1.546) 2.446 5.670 ( -0.986 0.681 -1.955) 2.293 5.711 ( -0.497 0.763 1.273) 1.565 5.726 ( -0.970 0.802 -0.105) 1.262 5.784 ( -0.549 0.323 1.542) 1.669 5.803 ( -1.316 -0.673 -1.531) 2.128 5.826 ( 0.415 -3.669 0.573) 3.737 5.904 ( -0.854 -1.202 -2.469) 2.876 5.975 ( 1.437 0.813 0.257) 1.671 5.990 ( 3.920 0.416 -2.147) 4.489 6.020 ( 2.417 0.637 0.606) 2.572 6.231 ( -2.870 4.138 5.292) 7.305 6.354 ( -1.015 2.457 -0.715) 2.753 6.358 ( -0.369 0.433 -0.666) 0.875 6.410 ( -0.073 1.844 -2.623) 3.207 6.447 ( -0.300 0.931 -0.953) 1.366 6.489 ( 1.856 2.123 0.966) 2.981 6.683 ( 0.595 -1.823 -3.134) 3.674 6.738 ( -7.262 1.608 3.646) 8.284 6.814 ( -1.140 -0.304 -0.206) 1.198 6.887 ( 4.448 -4.288 -1.031) 6.264 6.984 ( 5.548 -0.190 3.100) 6.358 7.034 ( 3.452 -1.784 2.405) 4.570 7.140 ( 4.296 -0.565 -3.369) 5.488 7.208 ( 5.850 -3.200 1.693) 6.879 ======================= Grid point 58 (26/60) ======================= q-point: ( 0.29 0.14 -0.75) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.909 ( 10.493 4.690 -7.055) 13.486 0.955 ( 10.620 8.002 2.736) 13.575 0.998 ( 8.641 1.645 0.014) 8.796 1.068 ( 8.965 2.768 4.444) 10.381 1.501 ( 0.572 -0.760 -3.356) 3.488 1.530 ( 2.112 0.328 -2.594) 3.361 1.600 ( -7.541 1.671 -0.614) 7.748 1.677 ( 2.164 -5.189 -0.977) 5.706 1.744 ( 1.928 0.147 2.737) 3.351 1.830 ( 4.703 1.219 5.614) 7.424 1.872 ( 1.540 0.763 -2.972) 3.433 1.999 ( 0.230 1.485 1.671) 2.247 2.047 ( -5.577 -3.183 0.328) 6.430 2.078 ( 1.910 -4.821 -0.494) 5.209 2.140 ( 1.033 -3.741 -4.927) 6.272 2.202 ( 0.071 -2.789 3.374) 4.378 2.285 ( 2.762 -0.476 1.983) 3.433 2.359 ( -2.102 -1.880 -0.539) 2.871 2.472 ( -2.983 -0.202 0.039) 2.990 2.532 ( 0.087 -0.822 -1.422) 1.645 2.581 ( 0.616 -2.543 -2.355) 3.520 2.619 ( -0.897 -1.485 2.235) 2.829 2.702 ( 0.301 -0.777 -0.462) 0.953 2.713 ( -2.644 -2.043 0.873) 3.453 2.743 ( -4.003 -1.156 -2.093) 4.662 2.780 ( -2.613 1.240 2.536) 3.846 2.828 ( -0.972 -3.711 3.563) 5.235 2.880 ( 2.906 -1.528 -0.130) 3.286 2.945 ( 1.188 -4.727 -2.657) 5.551 2.987 ( -0.940 -4.253 1.707) 4.678 3.005 ( 3.983 -0.796 1.429) 4.306 3.032 ( 0.948 -3.169 1.599) 3.674 3.073 ( -2.151 -0.423 -2.332) 3.200 3.123 ( -0.317 -1.973 -0.978) 2.225 3.183 ( 1.922 -2.483 -2.124) 3.791 3.211 ( 2.883 0.871 0.197) 3.018 3.239 ( 0.473 -5.610 -1.094) 5.735 3.292 ( 1.038 0.107 1.789) 2.071 3.309 ( -0.360 -1.113 -1.618) 1.996 3.366 ( 2.614 -1.880 0.158) 3.224 3.388 ( -0.254 2.467 1.003) 2.675 3.400 ( 1.032 0.808 -2.907) 3.188 3.431 ( 0.606 0.790 -0.626) 1.176 3.494 ( 0.588 4.349 1.737) 4.720 3.512 ( -0.814 0.802 -1.195) 1.653 3.555 ( -0.224 1.267 1.289) 1.821 3.577 ( -0.264 0.427 -0.436) 0.665 3.630 ( 0.624 2.867 0.378) 2.959 3.720 ( -0.899 1.604 2.463) 3.074 3.769 ( 1.442 2.863 -2.316) 3.954 3.850 ( -0.980 0.898 -0.735) 1.519 3.908 ( -4.385 -0.029 0.471) 4.410 3.963 ( -3.329 1.433 -0.736) 3.699 4.001 ( -0.503 -1.500 -0.059) 1.583 4.075 ( -1.389 0.372 -0.116) 1.443 4.099 ( 0.395 -1.330 0.900) 1.654 4.147 ( 0.431 4.352 -2.272) 4.928 4.181 ( 0.061 0.338 -0.115) 0.362 4.206 ( -0.335 -1.900 -0.467) 1.985 4.264 ( -1.750 -1.050 3.865) 4.371 4.378 ( -0.991 1.224 0.617) 1.691 4.425 ( 1.059 -0.631 0.491) 1.327 4.483 ( 3.465 0.397 -1.299) 3.721 4.560 ( -0.301 -3.626 -1.204) 3.832 4.590 ( 1.071 -2.445 -0.605) 2.738 4.641 ( -0.732 -2.562 1.293) 2.962 4.679 ( 0.042 2.954 0.140) 2.957 4.743 ( -0.498 2.687 -0.206) 2.740 4.792 ( 1.414 0.376 0.643) 1.598 4.888 ( 0.435 -0.446 0.954) 1.139 5.007 ( -0.997 -0.127 0.271) 1.041 5.029 ( -2.353 -0.151 -0.194) 2.366 5.073 ( -1.311 0.107 0.939) 1.616 5.148 ( -0.896 2.067 0.992) 2.461 5.173 ( -3.615 0.688 0.352) 3.697 5.265 ( -4.309 0.889 0.370) 4.416 5.289 ( -2.412 0.859 0.835) 2.693 5.308 ( -3.006 1.417 -0.089) 3.324 5.381 ( 0.699 0.754 -1.244) 1.614 5.424 ( -0.523 -0.530 -1.501) 1.676 5.500 ( -2.708 -2.019 0.427) 3.405 5.522 ( -3.178 1.736 -0.506) 3.657 5.568 ( -0.822 0.819 -0.531) 1.276 5.619 ( -0.278 0.788 -0.414) 0.932 5.642 ( -1.223 -1.164 -1.185) 2.063 5.689 ( -0.731 2.587 0.116) 2.691 5.735 ( -1.893 1.743 1.548) 3.003 5.758 ( -1.946 -1.371 0.302) 2.400 5.783 ( 0.478 -0.339 -0.553) 0.805 5.808 ( -1.612 -0.745 0.153) 1.783 5.909 ( 2.553 -1.200 -1.673) 3.280 6.010 ( 0.619 1.029 1.337) 1.797 6.027 ( 2.402 0.788 -1.767) 3.084 6.035 ( -0.249 1.582 -0.765) 1.775 6.216 ( -3.399 2.851 3.403) 5.591 6.330 ( -1.082 2.263 0.525) 2.563 6.337 ( 0.325 1.121 -2.865) 3.094 6.403 ( 2.387 1.451 0.435) 2.827 6.477 ( 2.527 0.823 -0.374) 2.684 6.515 ( 0.401 1.367 -0.705) 1.590 6.677 ( -3.604 1.155 3.413) 5.097 6.693 ( 2.830 -1.313 -2.633) 4.082 6.803 ( -0.552 1.268 0.982) 1.696 6.939 ( 3.204 -3.478 -1.930) 5.107 7.077 ( 2.727 -1.739 1.541) 3.583 7.137 ( 5.464 -1.816 1.406) 5.927 7.177 ( 4.143 -0.846 -3.616) 5.564 7.304 ( 2.034 -4.121 2.706) 5.333 ======================= Grid point 59 (27/60) ======================= q-point: ( 0.43 0.14 -0.75) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.041 ( 9.065 5.774 -5.412) 12.033 1.054 ( 9.876 4.900 -0.964) 11.066 1.204 ( 4.956 -1.394 2.868) 5.893 1.270 ( 4.049 2.861 3.592) 6.123 1.372 ( -5.852 3.850 -1.613) 7.188 1.420 ( -9.483 3.196 2.891) 10.416 1.616 ( 2.202 -4.143 -1.288) 4.865 1.669 ( -1.149 -3.537 2.550) 4.509 1.793 ( 5.454 -0.969 -2.593) 6.116 1.864 ( -0.143 1.996 -4.569) 4.988 1.887 ( 0.549 -0.401 -3.752) 3.813 1.974 ( -5.104 -0.432 -2.127) 5.547 2.020 ( 1.585 1.982 -1.191) 2.804 2.082 ( 1.124 1.823 -3.364) 3.988 2.120 ( 1.658 -3.860 -1.639) 4.510 2.221 ( 2.497 -1.805 3.075) 4.353 2.306 ( -0.338 -1.434 1.419) 2.045 2.381 ( -1.613 0.506 2.357) 2.901 2.475 ( -0.111 -2.551 1.916) 3.192 2.476 ( -2.300 0.879 -2.320) 3.383 2.545 ( -0.490 -3.765 -2.563) 4.581 2.642 ( 0.956 -2.615 6.471) 7.044 2.645 ( -5.165 -1.946 2.009) 5.874 2.700 ( -1.201 -3.378 -0.371) 3.604 2.735 ( 2.171 -2.532 0.623) 3.393 2.821 ( -0.961 -2.752 0.998) 3.081 2.863 ( 2.229 -1.997 -0.937) 3.135 2.908 ( -0.378 -5.142 -1.455) 5.357 2.913 ( 0.503 -1.227 0.151) 1.335 2.974 ( -2.200 -2.895 -1.776) 4.047 2.983 ( 1.288 -1.132 1.482) 2.266 3.059 ( -0.741 -2.921 0.920) 3.151 3.102 ( -0.162 -3.455 -0.624) 3.515 3.114 ( 1.072 -1.243 0.367) 1.682 3.191 ( -0.164 -2.243 -0.139) 2.253 3.237 ( 2.078 -1.069 -0.504) 2.391 3.267 ( 3.053 1.514 -1.361) 3.670 3.293 ( -0.071 -2.360 0.029) 2.361 3.317 ( 3.345 -2.904 -0.382) 4.446 3.354 ( -1.261 0.558 -1.401) 1.966 3.394 ( 0.658 3.371 1.537) 3.762 3.422 ( 1.628 -0.485 -1.538) 2.291 3.460 ( -0.849 -2.323 -0.134) 2.477 3.486 ( 0.819 2.047 -1.140) 2.482 3.542 ( -1.832 1.275 1.009) 2.449 3.555 ( 2.131 0.629 0.878) 2.389 3.567 ( -0.012 -0.990 1.237) 1.585 3.605 ( -1.650 0.921 -0.867) 2.079 3.714 ( -3.099 4.954 3.464) 6.793 3.796 ( 2.871 2.800 0.054) 4.011 3.830 ( -1.636 2.089 1.626) 3.112 3.857 ( -1.367 1.329 -1.028) 2.166 3.901 ( -2.217 0.832 0.314) 2.389 4.008 ( 0.797 -0.030 -0.337) 0.866 4.037 ( -0.720 4.671 -2.791) 5.489 4.091 ( 0.747 -0.939 -0.467) 1.287 4.135 ( -0.597 0.404 -2.819) 2.910 4.179 ( -0.834 -0.192 -1.587) 1.803 4.212 ( 0.911 -2.605 1.359) 3.076 4.270 ( -1.572 -1.523 2.559) 3.368 4.380 ( -0.256 1.108 2.197) 2.474 4.451 ( 1.326 -1.453 -0.467) 2.021 4.518 ( 1.830 0.797 -0.889) 2.185 4.547 ( 0.072 -4.497 -0.182) 4.501 4.606 ( 0.658 -1.234 1.193) 1.839 4.618 ( -0.793 -0.710 -0.108) 1.070 4.704 ( -1.505 1.876 -1.055) 2.626 4.722 ( 0.921 2.493 2.207) 3.455 4.826 ( -0.535 2.161 0.956) 2.423 4.880 ( -0.725 -4.920 -0.984) 5.070 4.977 ( -1.150 -1.025 -0.164) 1.549 5.017 ( -0.025 -0.488 1.742) 1.809 5.068 ( -0.534 1.585 0.706) 1.815 5.130 ( -0.660 2.330 0.203) 2.430 5.153 ( -1.203 2.567 -0.083) 2.836 5.208 ( -2.324 1.179 -0.028) 2.606 5.243 ( -1.904 2.136 -0.290) 2.876 5.274 ( -0.975 0.166 -0.626) 1.170 5.390 ( 0.351 1.896 0.215) 1.940 5.417 ( 2.018 -1.617 1.404) 2.943 5.479 ( -1.470 -1.422 1.322) 2.436 5.490 ( -1.270 1.144 1.494) 2.270 5.557 ( 0.080 0.813 -0.931) 1.239 5.603 ( -1.467 -1.432 -0.924) 2.249 5.612 ( 0.581 1.433 -1.634) 2.249 5.687 ( 0.683 1.110 -1.184) 1.761 5.702 ( -1.939 1.234 1.038) 2.522 5.753 ( 0.103 -1.534 0.386) 1.585 5.778 ( -1.370 0.559 -1.034) 1.805 5.791 ( -0.039 0.122 0.364) 0.386 5.936 ( 1.583 0.363 -0.349) 1.661 5.977 ( -0.638 2.260 -2.909) 3.738 6.045 ( 0.040 0.159 1.263) 1.273 6.058 ( 1.562 0.863 0.186) 1.794 6.204 ( -2.422 1.845 3.459) 4.608 6.292 ( -0.238 1.462 -2.407) 2.826 6.362 ( 1.094 1.411 1.975) 2.662 6.458 ( 2.466 0.960 0.778) 2.759 6.485 ( -1.371 1.320 -2.146) 2.868 6.511 ( 1.556 1.441 -1.025) 2.356 6.659 ( -2.660 1.567 3.005) 4.308 6.714 ( 2.607 -0.800 -2.729) 3.858 6.814 ( -0.471 0.517 2.459) 2.557 6.953 ( 1.470 -2.727 -3.137) 4.408 7.115 ( 0.613 -2.131 0.306) 2.239 7.197 ( 2.443 -1.816 -3.568) 4.690 7.231 ( 3.179 -1.764 2.006) 4.153 7.325 ( -1.682 -3.512 1.290) 4.102 ======================= Grid point 60 (28/60) ======================= q-point: (-0.43 0.14 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.006 ( -12.955 0.541 -3.811) 13.515 1.073 ( -14.043 5.447 -1.382) 15.125 1.181 ( 5.474 0.816 1.907) 5.853 1.301 ( 8.254 3.643 -2.887) 9.473 1.405 ( -1.256 5.848 9.083) 10.876 1.466 ( 6.167 0.181 2.743) 6.752 1.583 ( -4.266 -0.286 -2.604) 5.007 1.681 ( -2.078 -0.993 -3.394) 4.101 1.751 ( -4.408 -0.383 -4.611) 6.391 1.821 ( -0.084 -1.214 1.071) 1.622 1.854 ( -4.035 1.306 -2.593) 4.971 1.897 ( 4.981 1.404 -2.865) 5.915 2.008 ( -3.738 0.976 -0.874) 3.961 2.073 ( 2.562 -3.463 -1.166) 4.462 2.147 ( 0.133 0.137 0.256) 0.319 2.220 ( 0.704 -3.064 -3.542) 4.736 2.335 ( 1.479 -2.755 0.013) 3.126 2.374 ( -1.921 -3.159 -0.451) 3.725 2.449 ( -1.415 -0.427 2.310) 2.743 2.507 ( 2.981 -1.326 3.695) 4.929 2.594 ( 2.417 -2.048 1.312) 3.430 2.632 ( -2.721 -2.108 -2.593) 4.310 2.644 ( 3.537 0.891 5.692) 6.760 2.719 ( 1.523 -2.349 1.272) 3.075 2.746 ( -3.999 -1.973 -2.718) 5.223 2.791 ( 1.110 -2.432 1.411) 3.022 2.818 ( 1.800 -5.644 1.099) 6.026 2.902 ( -1.346 -2.329 -3.273) 4.237 2.935 ( -0.332 -4.802 1.051) 4.927 2.987 ( 3.164 -5.899 -0.015) 6.694 3.024 ( -4.788 -2.082 -1.446) 5.417 3.043 ( 0.092 0.791 1.575) 1.765 3.068 ( 2.464 -0.944 1.068) 2.846 3.127 ( -0.602 -0.354 -0.117) 0.708 3.197 ( -0.314 -1.588 -0.434) 1.676 3.241 ( 0.742 -0.303 -0.783) 1.120 3.275 ( -0.856 1.588 -0.817) 1.980 3.312 ( 0.660 0.808 0.440) 1.132 3.316 ( -6.292 -5.511 -1.056) 8.430 3.367 ( 2.327 0.459 -0.387) 2.403 3.400 ( 0.034 2.466 -1.972) 3.158 3.409 ( -0.186 -2.528 -0.147) 2.539 3.438 ( -0.732 -0.964 0.658) 1.377 3.480 ( 1.930 -0.735 0.086) 2.067 3.552 ( -1.419 0.948 -0.433) 1.761 3.557 ( -1.397 0.609 0.535) 1.615 3.573 ( 1.500 1.524 1.289) 2.497 3.616 ( 0.757 -0.556 -0.192) 0.958 3.705 ( -1.935 4.224 2.951) 5.504 3.818 ( -0.635 2.541 0.482) 2.663 3.858 ( 2.296 2.270 0.799) 3.326 3.861 ( 3.748 1.639 1.115) 4.240 3.909 ( 1.470 1.827 1.179) 2.624 3.989 ( 0.080 1.732 -4.533) 4.854 4.020 ( -0.919 2.758 0.180) 2.912 4.076 ( 0.144 1.599 -2.764) 3.197 4.119 ( 0.317 -1.278 0.780) 1.530 4.144 ( -0.222 -1.890 -1.641) 2.513 4.235 ( -1.274 -3.556 1.383) 4.023 4.269 ( 0.595 -0.988 0.969) 1.506 4.397 ( -0.768 0.367 1.651) 1.858 4.446 ( -0.678 -0.652 -0.872) 1.283 4.526 ( -0.776 -0.674 0.350) 1.086 4.554 ( 0.656 -4.284 -1.112) 4.474 4.598 ( -1.779 0.577 0.638) 1.976 4.652 ( 1.704 -1.885 0.676) 2.629 4.681 ( 0.093 2.550 0.785) 2.670 4.725 ( 0.488 3.378 -1.459) 3.712 4.836 ( -0.230 -1.425 2.131) 2.574 4.870 ( 0.662 -1.957 0.802) 2.216 4.990 ( 0.752 0.393 0.396) 0.936 5.002 ( -1.338 1.374 -1.618) 2.509 5.073 ( 0.089 1.016 2.463) 2.665 5.129 ( 1.202 3.644 -0.905) 3.942 5.160 ( 1.365 1.421 3.044) 3.626 5.186 ( -0.430 -0.273 -0.736) 0.895 5.240 ( 1.870 0.570 -1.350) 2.376 5.271 ( 1.637 -0.926 -0.688) 2.002 5.420 ( 1.538 1.842 0.664) 2.490 5.464 ( 1.986 3.272 -0.417) 3.851 5.484 ( 0.408 -2.129 3.893) 4.456 5.514 ( 1.360 -0.375 1.557) 2.101 5.534 ( -0.253 1.454 -3.003) 3.346 5.594 ( 0.541 -2.652 0.794) 2.820 5.607 ( 0.925 1.149 -1.980) 2.469 5.677 ( 0.031 -1.598 -1.374) 2.108 5.699 ( -0.579 0.551 1.463) 1.667 5.738 ( -0.581 0.859 -1.889) 2.156 5.776 ( 1.030 0.528 0.892) 1.461 5.787 ( 0.059 0.581 -0.499) 0.768 5.936 ( -0.530 1.255 -0.758) 1.559 5.974 ( 2.402 1.293 -1.752) 3.242 6.055 ( -0.578 0.078 1.211) 1.344 6.070 ( -0.042 0.444 -0.337) 0.559 6.199 ( -2.434 3.112 3.026) 4.977 6.288 ( 1.871 1.424 -0.854) 2.502 6.392 ( -0.226 0.804 1.256) 1.508 6.431 ( -1.611 1.840 -1.489) 2.863 6.488 ( 0.157 0.620 0.153) 0.658 6.509 ( -0.544 1.408 -1.246) 1.957 6.642 ( -2.269 1.748 1.717) 3.340 6.733 ( 2.379 -1.046 -1.479) 2.990 6.825 ( -1.704 -0.007 2.978) 3.431 6.926 ( -0.533 -1.344 -3.536) 3.820 7.104 ( -2.310 -1.674 0.405) 2.881 7.174 ( -1.209 -3.043 -2.935) 4.398 7.287 ( -0.816 -2.491 0.829) 2.749 7.294 ( -0.688 -2.578 1.441) 3.032 ======================= Grid point 61 (29/60) ======================= q-point: (-0.29 0.14 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.714 ( -16.092 5.671 -0.640) 17.074 0.780 ( -16.493 9.366 -1.641) 19.038 1.259 ( -9.011 2.950 2.599) 9.831 1.358 ( -7.396 1.488 -0.149) 7.545 1.385 ( -3.472 1.222 -3.756) 5.259 1.434 ( -1.691 3.572 -3.021) 4.974 1.526 ( -0.971 2.567 6.680) 7.222 1.581 ( 3.221 0.943 -4.388) 5.525 1.735 ( 1.544 -3.194 4.279) 5.558 1.825 ( -1.617 -4.236 -0.706) 4.589 1.851 ( 3.620 -0.914 -1.776) 4.134 1.920 ( 2.450 -3.007 0.320) 3.892 2.016 ( 1.650 0.747 0.101) 1.814 2.036 ( 0.458 -3.371 0.558) 3.448 2.188 ( 3.710 -0.584 -1.605) 4.084 2.273 ( 4.347 0.832 1.630) 4.716 2.296 ( -3.304 -3.288 -3.457) 5.803 2.375 ( 0.376 -4.968 3.582) 6.137 2.456 ( 0.568 -1.349 -1.704) 2.247 2.524 ( -5.398 -3.429 0.896) 6.457 2.571 ( 1.892 -4.643 2.584) 5.640 2.635 ( -0.188 -0.129 -2.268) 2.279 2.732 ( 4.900 0.493 -2.691) 5.613 2.740 ( 1.982 -2.967 -1.072) 3.725 2.807 ( 2.544 -2.590 2.159) 4.224 2.828 ( 0.052 -1.939 2.293) 3.003 2.851 ( 1.274 -3.272 -0.015) 3.512 2.895 ( 2.022 0.659 4.485) 4.964 2.924 ( 1.675 -4.687 0.133) 4.979 2.969 ( -1.739 0.729 3.270) 3.775 3.013 ( 1.191 -2.882 -3.566) 4.737 3.050 ( -1.501 3.288 -1.954) 4.109 3.061 ( -2.600 -1.793 0.652) 3.225 3.132 ( -2.052 -3.111 -0.070) 3.727 3.137 ( -2.633 0.875 -0.897) 2.916 3.182 ( -3.876 -3.672 -0.085) 5.340 3.250 ( 0.433 -2.506 -2.153) 3.332 3.274 ( -2.120 -0.228 -1.082) 2.391 3.289 ( -0.993 -1.504 0.654) 1.917 3.333 ( -1.037 -1.879 -4.071) 4.602 3.386 ( 1.314 1.730 1.306) 2.535 3.427 ( -0.374 -0.784 -0.555) 1.031 3.448 ( 0.409 1.650 2.104) 2.705 3.479 ( -3.709 4.299 -0.458) 5.697 3.528 ( 1.240 0.155 1.189) 1.725 3.575 ( 0.310 -0.157 -1.864) 1.896 3.597 ( -0.591 0.510 0.407) 0.880 3.609 ( 0.090 3.718 0.537) 3.758 3.684 ( -1.494 1.141 1.160) 2.209 3.830 ( 1.304 1.409 -0.623) 2.019 3.909 ( -1.365 1.350 -2.368) 3.048 3.927 ( 2.288 3.097 1.278) 4.057 3.945 ( 0.628 1.269 3.011) 3.327 3.962 ( 5.078 0.495 -1.460) 5.306 4.002 ( 0.912 2.137 -2.381) 3.327 4.078 ( 1.132 -0.338 -0.110) 1.187 4.136 ( 0.478 0.368 0.748) 0.961 4.150 ( 1.640 -0.784 0.147) 1.824 4.210 ( -1.103 -3.432 -0.262) 3.615 4.298 ( 0.393 -2.507 1.383) 2.890 4.385 ( -1.568 0.295 1.016) 1.892 4.427 ( -1.182 1.271 0.242) 1.752 4.500 ( -2.236 -0.839 0.515) 2.443 4.535 ( -0.001 -4.032 -2.399) 4.692 4.580 ( -0.318 -0.120 0.044) 0.343 4.673 ( 0.820 -2.951 0.189) 3.069 4.684 ( -1.031 3.373 0.757) 3.607 4.756 ( 0.995 2.287 0.693) 2.588 4.842 ( -0.689 -3.004 0.973) 3.232 4.870 ( -0.991 -0.529 -2.281) 2.543 4.976 ( 1.172 1.418 1.434) 2.332 5.032 ( 1.833 1.468 1.467) 2.769 5.134 ( 1.098 2.092 2.087) 3.152 5.162 ( 1.981 -0.257 0.123) 2.001 5.181 ( 4.080 -0.650 0.383) 4.149 5.229 ( 3.164 1.041 2.291) 4.043 5.259 ( 2.271 0.959 -2.374) 3.422 5.309 ( 2.759 0.106 -0.477) 2.802 5.443 ( 2.136 1.883 -0.616) 2.914 5.477 ( 1.278 -0.394 -4.264) 4.469 5.512 ( -0.671 1.093 1.598) 2.049 5.536 ( 0.300 1.527 0.988) 1.844 5.558 ( 3.530 0.976 -0.306) 3.675 5.614 ( 0.089 -0.546 3.943) 3.981 5.619 ( 2.941 -1.185 -4.870) 5.812 5.660 ( 0.704 -1.307 -0.918) 1.746 5.702 ( -0.190 -0.265 0.122) 0.349 5.734 ( 0.983 2.063 1.177) 2.571 5.791 ( 1.663 0.196 -0.986) 1.943 5.811 ( 1.118 0.973 1.445) 2.070 5.914 ( -0.292 1.700 -2.269) 2.850 5.991 ( 0.488 0.396 -0.395) 0.743 6.041 ( -2.428 0.294 0.451) 2.487 6.056 ( -0.134 0.304 -1.298) 1.340 6.183 ( -2.333 3.639 2.954) 5.236 6.314 ( 1.455 1.284 -1.801) 2.648 6.364 ( -2.020 1.740 -0.068) 2.666 6.437 ( 1.418 1.758 0.800) 2.396 6.473 ( -1.535 0.146 0.371) 1.586 6.482 ( -0.193 1.704 -1.241) 2.117 6.612 ( -2.703 1.816 0.427) 3.285 6.765 ( 2.213 -2.259 -0.524) 3.206 6.816 ( -2.902 -0.366 2.862) 4.092 6.871 ( -1.569 0.972 -2.689) 3.262 7.049 ( -4.782 -0.440 1.255) 4.964 7.115 ( -2.522 -3.425 -1.203) 4.420 7.232 ( -3.159 -1.806 -1.543) 3.952 7.317 ( -2.020 -6.375 3.079) 7.362 ======================= Grid point 62 (30/60) ======================= q-point: (-0.14 0.14 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.505 ( -12.992 12.377 4.060) 18.398 0.543 ( -9.212 16.787 6.588) 20.250 0.902 ( -23.742 16.337 10.393) 30.637 1.213 ( -1.299 0.753 -12.508) 12.598 1.302 ( -3.373 -3.782 -10.316) 11.494 1.517 ( 2.904 -3.662 9.206) 10.324 1.558 ( -0.525 -0.972 2.384) 2.627 1.651 ( 3.079 -0.675 3.478) 4.694 1.715 ( -3.101 -4.303 -2.724) 5.962 1.836 ( 0.215 -6.438 0.514) 6.462 1.923 ( 8.389 -0.218 1.741) 8.571 1.979 ( 0.063 -8.450 -1.198) 8.535 2.021 ( 3.321 -4.810 0.654) 5.882 2.125 ( 3.739 2.758 -2.600) 5.324 2.178 ( -4.470 -0.004 -0.760) 4.534 2.235 ( 0.612 2.145 -0.872) 2.395 2.340 ( -0.283 -2.293 2.149) 3.155 2.388 ( -3.414 -5.501 -0.686) 6.511 2.417 ( -0.558 2.132 4.313) 4.843 2.509 ( 2.560 -2.214 -4.353) 5.513 2.593 ( 0.455 0.199 0.932) 1.056 2.653 ( 2.811 -3.667 1.081) 4.745 2.720 ( 1.438 -2.822 -3.507) 4.725 2.794 ( 0.218 2.427 -3.648) 4.387 2.819 ( 1.893 -1.496 1.161) 2.677 2.849 ( 0.564 -5.658 0.987) 5.771 2.872 ( -1.407 -1.102 -6.088) 6.345 2.890 ( 4.914 -0.867 -1.080) 5.106 2.960 ( -4.569 -2.233 0.285) 5.093 2.992 ( -1.538 -0.773 0.693) 1.856 3.006 ( 0.507 -0.423 1.823) 1.939 3.038 ( 0.223 -1.884 3.767) 4.218 3.051 ( 2.282 1.043 2.613) 3.623 3.087 ( 1.225 -3.168 -1.597) 3.753 3.123 ( -2.174 -1.190 3.058) 3.936 3.140 ( 0.463 -1.569 -4.349) 4.647 3.215 ( -3.782 -3.080 1.036) 4.987 3.245 ( 0.284 0.167 -0.405) 0.522 3.287 ( 1.144 -2.553 1.596) 3.221 3.317 ( -0.467 -2.018 -0.208) 2.082 3.372 ( -2.166 -2.108 -1.337) 3.305 3.419 ( -0.764 5.233 -2.277) 5.757 3.427 ( 0.473 0.985 0.232) 1.117 3.501 ( 0.382 1.603 0.070) 1.649 3.520 ( -0.228 1.412 2.064) 2.512 3.553 ( -2.323 2.617 0.740) 3.577 3.578 ( -0.071 4.775 -0.456) 4.797 3.616 ( 0.008 4.645 0.347) 4.658 3.691 ( -0.196 1.701 1.138) 2.056 3.814 ( -1.013 1.258 -4.649) 4.922 3.845 ( -1.642 -0.854 -1.595) 2.444 3.945 ( -0.277 2.318 0.826) 2.476 3.986 ( -0.314 3.422 4.223) 5.445 4.016 ( 1.212 -1.833 1.182) 2.496 4.062 ( 5.774 -0.275 -1.219) 5.907 4.109 ( 2.205 -0.711 -0.559) 2.383 4.141 ( -1.644 -0.721 2.544) 3.114 4.168 ( 1.208 1.594 -1.647) 2.590 4.203 ( 0.133 -2.882 -0.230) 2.894 4.309 ( -0.335 -3.730 1.491) 4.031 4.370 ( -2.017 1.241 1.584) 2.849 4.424 ( 1.128 3.244 -0.289) 3.447 4.472 ( -0.694 -1.172 -0.605) 1.490 4.525 ( 0.561 -1.727 -0.909) 2.031 4.589 ( 1.273 -2.410 -0.251) 2.737 4.651 ( -3.871 0.718 1.344) 4.160 4.688 ( 0.442 -2.387 0.011) 2.428 4.735 ( -2.656 2.560 -1.010) 3.824 4.805 ( -0.764 -2.709 -1.082) 3.016 4.881 ( 0.727 -1.717 0.818) 2.036 5.021 ( 1.129 2.807 1.639) 3.441 5.064 ( 0.156 -0.433 -1.806) 1.864 5.123 ( 2.269 -1.541 -1.170) 2.982 5.229 ( 1.949 0.101 1.051) 2.216 5.248 ( 1.143 -0.235 -1.582) 1.966 5.276 ( 2.930 1.054 2.360) 3.907 5.333 ( 1.081 2.036 -0.483) 2.355 5.353 ( 6.964 1.716 1.671) 7.364 5.430 ( -1.174 0.305 -5.646) 5.775 5.494 ( 3.035 1.738 0.371) 3.517 5.515 ( -0.687 -0.197 1.853) 1.986 5.543 ( 0.508 1.435 0.401) 1.574 5.571 ( 0.718 2.636 -4.782) 5.507 5.604 ( 2.849 -0.211 -0.139) 2.861 5.668 ( 0.554 -1.126 1.300) 1.807 5.692 ( -0.405 0.443 1.511) 1.626 5.725 ( 3.295 1.168 0.800) 3.587 5.779 ( 1.374 -0.470 1.677) 2.219 5.813 ( 0.887 -0.975 -0.216) 1.335 5.833 ( 0.889 0.153 -0.108) 0.908 5.884 ( 1.036 2.978 -3.847) 4.973 5.974 ( -3.045 -0.171 -0.001) 3.050 6.001 ( -0.175 0.482 -0.205) 0.552 6.050 ( 0.707 0.356 -0.954) 1.239 6.203 ( -0.026 2.622 5.594) 6.178 6.282 ( -3.125 2.509 -0.352) 4.023 6.355 ( 1.899 3.018 -0.620) 3.619 6.458 ( -0.209 -0.926 -0.376) 1.021 6.462 ( 3.660 3.927 -2.998) 6.149 6.500 ( 1.173 1.721 0.413) 2.123 6.566 ( -2.408 1.734 1.352) 3.261 6.774 ( -0.571 -1.841 -0.244) 1.943 6.787 ( -3.511 -0.886 2.086) 4.179 6.849 ( 1.256 1.509 -0.571) 2.044 6.990 ( -3.797 1.160 2.687) 4.794 7.077 ( -1.080 -3.018 -0.032) 3.206 7.157 ( -2.578 -1.336 -2.704) 3.968 7.241 ( -11.858 -12.196 2.209) 17.154 ======================= Grid point 63 (31/60) ======================= q-point: ( 0.00 0.29 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.722 ( -1.104 17.101 -2.123) 17.267 0.826 ( -3.644 14.485 6.794) 16.409 0.998 ( -0.140 -0.854 -11.570) 11.602 1.177 ( 2.108 1.177 -7.680) 8.051 1.292 ( 3.935 13.976 17.993) 23.120 1.450 ( 0.815 -7.787 2.545) 8.233 1.488 ( -1.230 -3.535 -0.272) 3.753 1.554 ( -2.419 -7.175 -0.901) 7.625 1.619 ( 1.328 -10.961 1.808) 11.188 1.685 ( -2.000 -2.758 2.687) 4.339 1.859 ( 1.596 -7.152 -1.743) 7.532 1.930 ( 2.212 -3.560 -1.208) 4.362 1.953 ( 2.055 -6.549 -3.915) 7.902 2.042 ( -4.626 -1.557 -3.330) 5.908 2.168 ( -1.484 0.780 3.188) 3.602 2.277 ( -3.480 3.690 -1.820) 5.389 2.331 ( 2.322 2.724 -1.626) 3.932 2.359 ( 4.433 1.540 3.767) 6.018 2.435 ( -1.479 0.309 -3.684) 3.982 2.553 ( -1.083 1.455 -0.924) 2.036 2.599 ( -0.389 -2.347 0.454) 2.422 2.611 ( -0.185 -3.579 2.699) 4.486 2.683 ( -1.815 -4.236 0.188) 4.612 2.711 ( 0.511 -3.355 -1.555) 3.732 2.723 ( 3.003 -3.466 0.366) 4.601 2.764 ( -2.732 -5.311 -1.830) 6.246 2.779 ( 0.222 -2.364 -4.435) 5.031 2.893 ( 0.197 -4.611 -2.227) 5.124 2.919 ( 0.045 -0.295 -1.037) 1.079 2.933 ( 0.724 0.675 -0.603) 1.159 2.972 ( 1.694 -0.217 -0.952) 1.956 2.999 ( -2.870 -1.410 -1.298) 3.451 3.049 ( 0.760 -0.543 0.522) 1.070 3.074 ( 0.651 -2.326 1.772) 2.996 3.114 ( -4.132 -2.156 3.861) 6.053 3.170 ( 1.780 2.568 3.710) 4.850 3.200 ( 3.579 1.198 -0.891) 3.878 3.258 ( -0.705 -0.859 1.884) 2.188 3.277 ( 3.215 -2.417 3.096) 5.076 3.291 ( 0.199 -0.900 0.114) 0.929 3.353 ( 1.731 -0.649 -1.782) 2.568 3.417 ( -1.769 1.376 -0.469) 2.289 3.469 ( 0.203 2.972 -2.705) 4.024 3.476 ( -2.051 -1.421 -2.861) 3.796 3.566 ( 0.644 1.907 1.575) 2.556 3.609 ( -2.067 0.941 0.150) 2.276 3.632 ( -0.570 1.268 0.990) 1.706 3.687 ( -0.759 1.287 -0.799) 1.694 3.722 ( 0.129 1.882 0.482) 1.947 3.819 ( 1.413 3.645 -5.664) 6.882 3.848 ( 1.695 2.333 2.951) 4.126 3.944 ( -0.816 -1.547 -0.709) 1.887 3.994 ( -1.000 0.711 0.515) 1.331 4.045 ( 0.998 -2.339 -0.808) 2.668 4.072 ( -1.692 1.021 2.552) 3.228 4.104 ( -0.836 -0.455 0.211) 0.975 4.167 ( 0.025 -0.809 1.900) 2.065 4.194 ( 2.117 1.084 0.466) 2.424 4.264 ( 0.738 3.865 2.265) 4.541 4.275 ( -0.210 -0.878 0.239) 0.934 4.373 ( -1.931 -0.731 -0.651) 2.165 4.415 ( 0.526 -1.877 1.235) 2.308 4.450 ( 0.551 -0.668 -0.532) 1.016 4.495 ( -1.429 -1.027 -3.505) 3.922 4.565 ( -1.666 -4.244 1.842) 4.918 4.604 ( 1.035 -2.796 0.107) 2.983 4.668 ( 0.680 4.484 1.106) 4.668 4.756 ( 1.143 1.745 -1.830) 2.775 4.809 ( 1.064 0.623 2.468) 2.759 4.870 ( 1.028 -0.144 0.743) 1.277 5.013 ( -1.480 -0.337 -1.511) 2.142 5.088 ( 0.400 0.655 -0.564) 0.952 5.118 ( 1.807 -0.842 0.143) 1.999 5.188 ( -3.319 -2.615 -0.907) 4.322 5.255 ( -0.357 1.646 -0.560) 1.775 5.330 ( -1.095 -0.170 0.241) 1.134 5.369 ( 0.331 1.196 0.141) 1.249 5.436 ( 0.117 2.125 -0.530) 2.194 5.451 ( 0.648 1.516 -0.557) 1.740 5.502 ( 0.291 0.393 -4.690) 4.715 5.565 ( 1.214 1.391 1.440) 2.342 5.581 ( -0.984 0.549 0.463) 1.218 5.614 ( -1.339 0.899 2.121) 2.664 5.652 ( 1.758 0.609 1.654) 2.489 5.682 ( 1.288 0.059 -0.953) 1.603 5.720 ( -0.242 0.313 0.535) 0.665 5.742 ( -1.132 0.078 1.126) 1.599 5.761 ( 0.474 0.230 -1.584) 1.670 5.812 ( 0.190 -0.100 0.502) 0.546 5.831 ( -1.876 -0.619 -0.598) 2.064 5.896 ( 0.460 -0.768 0.356) 0.963 5.904 ( 2.722 -2.003 -2.061) 3.958 5.984 ( -0.030 -1.134 -1.120) 1.594 6.003 ( -1.712 -0.301 -0.789) 1.909 6.289 ( -1.519 2.433 5.272) 6.002 6.321 ( 0.727 1.050 3.035) 3.293 6.408 ( -0.291 -0.606 -1.769) 1.892 6.439 ( 0.140 1.457 -0.111) 1.468 6.540 ( 0.383 3.016 -3.607) 4.717 6.563 ( -0.641 3.419 -1.364) 3.737 6.652 ( 1.846 -1.562 1.140) 2.674 6.715 ( 4.329 -0.973 -2.725) 5.207 6.815 ( 0.884 2.269 1.391) 2.804 6.886 ( -5.082 0.516 -1.216) 5.251 6.932 ( -4.247 0.290 5.114) 6.654 6.999 ( -0.934 0.634 1.721) 2.058 7.038 ( 2.519 -2.674 0.559) 3.716 7.095 ( 1.617 -2.192 -1.819) 3.275 ======================= Grid point 64 (32/60) ======================= q-point: ( 0.14 0.29 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.801 ( 7.426 9.563 6.558) 13.769 0.915 ( 7.585 8.218 0.037) 11.183 0.964 ( 5.551 9.724 -0.851) 11.229 1.176 ( 7.267 5.326 -10.145) 13.568 1.453 ( 1.011 -4.091 0.509) 4.244 1.509 ( 4.154 -4.838 -0.384) 6.388 1.536 ( 1.240 -6.960 2.230) 7.413 1.586 ( 3.288 3.673 7.043) 8.597 1.659 ( 1.496 -3.578 -0.979) 3.999 1.693 ( 2.519 -4.730 4.486) 6.989 1.843 ( 0.268 -5.581 -1.717) 5.845 1.921 ( 1.849 -7.767 -0.248) 7.988 1.966 ( 0.193 0.570 -2.225) 2.305 2.008 ( 4.192 -3.614 -2.345) 6.011 2.159 ( -3.552 4.467 0.676) 5.747 2.175 ( -5.806 1.183 2.612) 6.475 2.306 ( -2.050 2.274 -1.745) 3.524 2.390 ( -1.193 0.424 -2.731) 3.010 2.441 ( -2.036 -3.919 -3.290) 5.507 2.485 ( 1.453 -0.587 5.529) 5.746 2.590 ( -0.882 -2.355 -0.430) 2.551 2.621 ( -5.382 -1.721 2.500) 6.179 2.679 ( -0.486 -4.818 0.999) 4.945 2.689 ( 1.582 -2.180 -0.502) 2.740 2.706 ( -0.644 -1.612 -1.207) 2.114 2.760 ( 2.742 -2.588 0.114) 3.772 2.827 ( 2.800 -3.794 1.068) 4.835 2.854 ( 0.300 -2.172 -5.076) 5.529 2.888 ( -1.686 0.221 -1.989) 2.616 2.931 ( -3.492 -1.154 -1.222) 3.876 2.971 ( 2.125 -1.350 0.118) 2.520 3.003 ( -1.003 -0.548 0.276) 1.176 3.038 ( -0.773 -1.129 0.936) 1.658 3.070 ( -0.728 -1.246 1.755) 2.272 3.105 ( 1.027 -2.903 -0.133) 3.082 3.198 ( -0.663 1.000 -0.624) 1.353 3.204 ( -3.039 -0.956 0.519) 3.228 3.285 ( 1.096 -0.469 1.350) 1.801 3.320 ( 2.635 -1.326 -0.084) 2.951 3.335 ( 0.458 0.088 -2.697) 2.737 3.365 ( 1.023 2.897 -0.547) 3.121 3.415 ( 0.582 -1.396 1.562) 2.174 3.440 ( 1.789 1.686 -1.483) 2.871 3.463 ( 3.218 -2.288 0.521) 3.983 3.570 ( -1.286 -0.758 -1.135) 1.875 3.583 ( -1.719 2.342 2.296) 3.702 3.626 ( -3.174 1.454 0.534) 3.532 3.657 ( 0.943 1.687 0.327) 1.960 3.726 ( -0.125 1.928 0.805) 2.093 3.818 ( 2.740 2.490 -3.724) 5.251 3.921 ( 0.259 1.220 -1.256) 1.770 3.935 ( 3.158 0.979 2.089) 3.911 3.963 ( -2.943 0.307 0.605) 3.021 4.018 ( -3.083 -2.942 -0.146) 4.264 4.056 ( -0.736 1.039 -0.388) 1.331 4.108 ( -0.195 0.338 0.664) 0.770 4.167 ( -1.718 -2.101 2.097) 3.429 4.215 ( -0.684 1.858 -0.269) 1.999 4.238 ( -1.811 -1.178 -0.673) 2.263 4.281 ( -1.156 2.914 0.543) 3.181 4.389 ( 1.709 0.412 3.024) 3.498 4.429 ( -0.415 -0.280 0.539) 0.736 4.445 ( -0.277 -0.463 -1.482) 1.577 4.475 ( 2.244 -3.297 -0.752) 4.059 4.542 ( -1.977 -3.420 -0.385) 3.969 4.593 ( -0.896 -1.040 0.893) 1.637 4.720 ( 3.006 3.315 0.095) 4.476 4.763 ( 1.772 1.162 -1.769) 2.760 4.849 ( -0.440 2.614 -0.262) 2.664 4.870 ( 0.397 -0.117 -0.624) 0.749 5.017 ( 0.174 -1.475 2.952) 3.304 5.047 ( -1.598 0.226 -3.121) 3.514 5.118 ( -2.321 -0.267 -1.466) 2.758 5.149 ( 0.211 0.017 2.079) 2.090 5.242 ( -2.439 1.415 0.662) 2.896 5.319 ( -0.452 -1.700 1.584) 2.367 5.357 ( -2.505 2.704 0.906) 3.795 5.397 ( -4.199 0.658 -0.391) 4.269 5.421 ( -1.747 1.855 -1.656) 3.039 5.433 ( -2.125 -0.662 -3.562) 4.200 5.551 ( -2.544 0.901 -0.771) 2.807 5.579 ( -3.048 -0.021 -0.014) 3.048 5.590 ( 0.026 0.468 0.355) 0.588 5.668 ( -1.424 1.301 0.818) 2.095 5.685 ( -1.305 1.138 0.846) 1.927 5.720 ( 1.161 0.006 1.136) 1.624 5.739 ( -1.442 0.122 -0.144) 1.454 5.766 ( -0.366 -1.402 1.376) 1.998 5.786 ( -1.115 -0.035 -0.481) 1.215 5.805 ( -1.570 -0.344 0.155) 1.615 5.885 ( 1.377 -0.477 -2.322) 2.742 5.972 ( 4.477 -1.940 -1.460) 5.094 5.995 ( 1.420 0.786 0.595) 1.729 6.012 ( 2.332 -0.613 0.560) 2.476 6.322 ( -1.154 4.675 4.382) 6.511 6.357 ( 0.662 0.178 -0.152) 0.702 6.397 ( 0.728 0.621 -0.643) 1.153 6.448 ( 1.558 1.859 -0.390) 2.457 6.484 ( -3.952 2.959 -1.847) 5.271 6.546 ( 0.698 3.306 -0.316) 3.394 6.631 ( -0.380 -2.908 -1.953) 3.523 6.728 ( -3.268 -3.357 0.249) 4.691 6.819 ( 1.287 2.711 1.147) 3.213 6.875 ( 2.576 2.301 -0.467) 3.485 6.980 ( 2.944 -0.301 2.712) 4.014 7.020 ( 1.777 -0.068 1.901) 2.603 7.101 ( 4.098 -3.207 -1.568) 5.435 7.138 ( 4.715 -3.573 -0.620) 5.948 ======================= Grid point 65 (33/60) ======================= q-point: ( 0.29 0.29 -0.75) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.026 ( 8.157 4.240 6.752) 11.407 1.041 ( 10.019 7.770 -4.428) 13.430 1.147 ( 8.192 9.969 7.729) 15.041 1.202 ( 7.998 9.558 -7.791) 14.697 1.480 ( -0.135 -2.190 -0.315) 2.217 1.519 ( -2.561 -1.459 -0.524) 2.994 1.571 ( 4.710 -3.381 -3.171) 6.608 1.619 ( 1.819 -1.472 -0.969) 2.532 1.692 ( 1.065 -4.011 2.137) 4.668 1.820 ( 4.849 -4.267 1.415) 6.613 1.878 ( 5.094 -2.450 -0.491) 5.674 1.945 ( 2.058 -4.341 -3.927) 6.205 1.990 ( 2.515 -4.050 -3.658) 6.009 2.010 ( -2.443 -2.175 -0.501) 3.309 2.081 ( -3.332 2.198 5.118) 6.490 2.214 ( 1.001 1.760 5.817) 6.159 2.275 ( 0.117 -2.236 -0.960) 2.436 2.326 ( -0.936 0.604 1.908) 2.210 2.456 ( -1.492 -5.709 0.675) 5.939 2.480 ( 0.052 -0.045 -3.629) 3.629 2.539 ( -2.369 -2.125 -4.447) 5.469 2.578 ( 0.203 -0.730 1.375) 1.570 2.675 ( -3.425 -1.822 2.618) 4.680 2.683 ( -1.836 -2.329 0.978) 3.123 2.716 ( -3.336 -1.551 -1.751) 4.074 2.759 ( 0.005 -3.169 -0.083) 3.170 2.806 ( -2.245 0.179 -0.194) 2.260 2.837 ( -0.702 -1.297 0.147) 1.482 2.852 ( 0.743 -2.851 -2.496) 3.861 2.902 ( 0.414 -2.671 4.685) 5.409 2.969 ( -1.366 -3.679 -0.386) 3.943 3.002 ( 0.584 -0.557 1.289) 1.521 3.055 ( -2.486 -3.950 -2.342) 5.222 3.094 ( 2.068 0.208 1.459) 2.540 3.106 ( 2.802 -2.969 0.115) 4.084 3.173 ( -0.476 -0.084 2.633) 2.677 3.232 ( 1.899 0.479 -0.621) 2.055 3.297 ( 1.261 0.538 0.512) 1.464 3.315 ( 0.851 -0.625 -4.104) 4.237 3.347 ( 2.938 -2.519 -1.728) 4.238 3.359 ( -0.708 1.498 -1.053) 1.963 3.419 ( 0.392 -1.516 -2.327) 2.805 3.457 ( 0.360 1.605 1.408) 2.165 3.522 ( -0.126 -0.605 0.053) 0.620 3.549 ( 0.354 0.522 -0.675) 0.924 3.578 ( -1.052 1.397 1.400) 2.240 3.591 ( -2.122 1.417 2.699) 3.714 3.658 ( -1.739 0.121 -0.514) 1.817 3.762 ( 1.754 2.608 2.702) 4.144 3.824 ( 2.301 2.077 -2.206) 3.804 3.882 ( -1.844 2.120 -1.709) 3.289 3.903 ( -2.578 -0.046 -0.822) 2.707 3.968 ( -2.369 -0.515 0.892) 2.583 4.009 ( 1.486 1.719 -0.060) 2.273 4.062 ( 0.477 0.519 1.834) 1.965 4.112 ( -0.217 0.075 0.655) 0.694 4.148 ( -1.358 -1.459 0.983) 2.222 4.189 ( -1.357 0.133 0.885) 1.625 4.229 ( 1.016 1.135 -3.131) 3.482 4.253 ( -1.794 1.436 0.087) 2.299 4.414 ( -1.708 1.826 0.878) 2.650 4.423 ( 0.141 0.314 -0.068) 0.351 4.465 ( 1.054 -2.694 -0.694) 2.975 4.478 ( 1.450 -2.851 -0.120) 3.201 4.532 ( 0.654 -3.619 0.445) 3.705 4.597 ( -0.610 -2.166 1.237) 2.568 4.742 ( 0.791 3.054 0.066) 3.156 4.791 ( 1.884 -0.772 -1.130) 2.329 4.800 ( -1.596 2.800 -2.677) 4.190 4.867 ( -0.159 -0.332 -0.413) 0.553 5.006 ( -1.075 -0.463 -0.383) 1.232 5.031 ( -2.887 -0.487 1.856) 3.467 5.087 ( 0.356 1.982 -0.290) 2.035 5.176 ( -0.118 0.972 1.755) 2.010 5.207 ( -1.870 2.295 1.694) 3.411 5.288 ( -3.699 1.183 0.347) 3.899 5.305 ( -3.320 1.463 -0.345) 3.644 5.334 ( -3.099 0.796 0.691) 3.273 5.382 ( -0.702 -1.201 -1.965) 2.407 5.395 ( -1.283 -2.653 1.730) 3.418 5.489 ( -2.271 1.707 -1.130) 3.057 5.538 ( -2.314 0.062 0.303) 2.335 5.581 ( -0.864 0.734 -0.010) 1.134 5.641 ( -0.824 1.129 -3.064) 3.367 5.651 ( -1.632 1.127 -0.462) 2.036 5.710 ( -1.350 -1.663 1.153) 2.432 5.734 ( -0.955 1.165 -0.602) 1.622 5.760 ( -1.464 0.216 -0.300) 1.510 5.782 ( 0.099 0.182 1.539) 1.553 5.795 ( -0.702 -0.652 1.511) 1.789 5.903 ( 2.937 0.307 -1.462) 3.295 6.016 ( 1.946 -1.756 -0.898) 2.771 6.029 ( 0.955 0.764 1.339) 1.814 6.047 ( 0.657 -0.096 0.550) 0.862 6.303 ( -3.551 5.124 0.638) 6.267 6.361 ( 0.298 1.640 -3.135) 3.551 6.384 ( -1.135 2.581 1.107) 3.029 6.439 ( 1.041 2.389 1.172) 2.858 6.491 ( 2.381 0.367 0.292) 2.427 6.547 ( 0.403 1.611 -1.460) 2.211 6.638 ( 2.347 -3.084 -0.904) 3.980 6.694 ( -1.691 -0.652 1.240) 2.196 6.852 ( 0.661 3.299 1.162) 3.560 6.907 ( 2.463 1.633 -1.416) 3.277 7.040 ( 1.887 -1.935 0.927) 2.857 7.102 ( 4.205 -1.811 2.332) 5.138 7.139 ( 3.332 -2.925 -2.978) 5.342 7.211 ( 3.096 -5.069 0.393) 5.953 ======================= Grid point 66 (34/60) ======================= q-point: ( 0.43 0.29 -0.75) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.127 ( 4.106 3.770 -1.304) 5.725 1.162 ( 1.483 4.113 1.301) 4.562 1.281 ( 8.144 10.069 -5.467) 14.057 1.349 ( 4.764 4.660 4.006) 7.776 1.434 ( -3.269 2.837 -0.199) 4.333 1.478 ( -1.152 1.423 1.858) 2.608 1.578 ( 0.870 0.564 1.374) 1.721 1.658 ( -4.548 2.779 3.213) 6.224 1.746 ( 7.273 -3.508 -0.316) 8.081 1.859 ( 1.566 -2.461 -5.680) 6.385 1.901 ( 0.001 0.823 -5.192) 5.257 1.942 ( 0.132 -3.697 -0.347) 3.715 1.974 ( -2.275 -6.280 0.486) 6.697 2.008 ( 5.458 -2.838 -1.235) 6.275 2.124 ( 0.174 0.049 0.513) 0.544 2.238 ( -3.480 1.044 -2.465) 4.391 2.259 ( 1.312 -0.973 1.778) 2.414 2.364 ( 0.154 -5.927 3.281) 6.777 2.385 ( -2.437 -3.646 0.362) 4.401 2.457 ( 0.289 -3.262 -6.265) 7.069 2.499 ( 1.901 0.117 -0.968) 2.137 2.594 ( -0.537 -3.420 1.315) 3.703 2.610 ( -4.914 -2.410 2.852) 6.172 2.645 ( -0.839 -0.490 0.472) 1.080 2.685 ( 0.909 -1.897 -0.600) 2.187 2.756 ( 0.436 -3.612 -0.150) 3.642 2.792 ( 0.274 -3.578 -0.519) 3.626 2.830 ( -0.367 -1.606 -2.491) 2.986 2.878 ( -3.826 -4.688 -3.285) 6.885 2.916 ( 3.168 -1.824 3.843) 5.304 2.975 ( -0.409 -1.151 3.824) 4.014 2.988 ( -1.118 -1.297 4.812) 5.108 3.055 ( -0.408 -3.378 2.139) 4.019 3.101 ( -2.290 -0.037 -1.756) 2.886 3.168 ( -0.660 -1.296 2.988) 3.323 3.182 ( 2.860 -0.264 0.471) 2.911 3.239 ( 0.400 -1.789 -0.700) 1.963 3.305 ( 2.779 1.387 -2.218) 3.816 3.316 ( 1.064 1.768 -1.537) 2.573 3.348 ( 0.999 -1.647 -2.123) 2.867 3.396 ( 2.682 -1.118 -1.238) 3.158 3.409 ( 0.333 -2.302 -1.289) 2.659 3.454 ( -1.205 0.361 1.260) 1.780 3.520 ( 0.101 -0.963 -0.554) 1.116 3.531 ( -1.993 1.040 -0.968) 2.448 3.574 ( 0.341 1.106 0.841) 1.431 3.582 ( -1.916 1.607 0.912) 2.662 3.609 ( -0.968 -0.445 -0.736) 1.295 3.813 ( 0.515 4.264 2.262) 4.854 3.849 ( 0.768 2.548 -0.543) 2.716 3.860 ( 0.779 0.107 0.107) 0.794 3.884 ( 1.413 1.403 1.301) 2.378 3.929 ( -3.757 3.230 1.189) 5.095 4.026 ( 0.916 1.589 -0.573) 1.922 4.070 ( -0.625 -0.205 1.365) 1.515 4.106 ( -0.465 1.457 -0.673) 1.671 4.148 ( -1.689 -0.040 0.124) 1.694 4.168 ( -0.280 -1.421 -0.365) 1.494 4.196 ( -0.105 2.413 -4.205) 4.849 4.240 ( 0.400 -1.315 -0.691) 1.538 4.405 ( -0.527 1.144 1.364) 1.857 4.430 ( 0.797 -0.878 -0.396) 1.250 4.456 ( 0.494 -3.647 -0.686) 3.744 4.506 ( 0.381 -2.296 -0.657) 2.418 4.554 ( 0.133 -3.625 1.887) 4.089 4.597 ( -0.261 -2.220 1.444) 2.661 4.750 ( -1.116 2.761 -1.403) 3.292 4.783 ( 1.670 3.055 2.393) 4.225 4.797 ( 1.112 -1.819 -0.098) 2.134 4.871 ( -0.410 1.513 -0.469) 1.636 4.957 ( -1.751 -0.752 -2.056) 2.803 5.019 ( -0.228 -0.144 1.459) 1.484 5.097 ( -0.815 2.096 2.053) 3.045 5.177 ( 0.413 2.145 -0.737) 2.305 5.209 ( -0.364 2.217 0.434) 2.288 5.236 ( -2.031 1.356 -0.808) 2.572 5.265 ( -3.228 1.487 0.993) 3.690 5.292 ( -1.209 0.477 -0.064) 1.301 5.362 ( 0.556 -1.532 0.324) 1.662 5.408 ( -0.489 -2.675 3.764) 4.644 5.475 ( 0.398 2.010 0.987) 2.275 5.506 ( -1.361 0.280 0.374) 1.439 5.569 ( -0.193 0.960 -0.403) 1.058 5.599 ( -0.674 0.464 -2.887) 3.000 5.626 ( 0.446 -0.043 -1.841) 1.895 5.692 ( -1.406 -1.502 -1.206) 2.384 5.713 ( -0.696 0.748 -0.051) 1.023 5.740 ( 0.243 0.265 -0.954) 1.019 5.788 ( -0.876 0.343 0.798) 1.233 5.795 ( -0.578 0.101 0.740) 0.944 5.946 ( 2.517 0.631 -0.046) 2.595 6.007 ( -0.819 0.238 -2.027) 2.199 6.043 ( -0.417 -0.143 1.846) 1.897 6.069 ( 0.411 0.190 1.193) 1.276 6.265 ( -1.214 4.157 0.975) 4.439 6.326 ( -0.081 1.818 -2.002) 2.706 6.401 ( 0.293 2.421 2.063) 3.194 6.484 ( 1.623 1.699 1.166) 2.623 6.507 ( -0.774 0.602 -0.650) 1.176 6.546 ( 1.550 1.664 -1.788) 2.893 6.663 ( 1.262 -3.319 -0.697) 3.618 6.683 ( -0.999 0.197 0.575) 1.169 6.868 ( -0.197 4.183 1.276) 4.378 6.926 ( 1.446 1.242 -1.609) 2.494 7.069 ( 0.624 -2.353 0.435) 2.473 7.148 ( 0.998 -3.161 -2.703) 4.277 7.185 ( 2.889 -2.910 1.229) 4.281 7.241 ( 0.054 -4.895 0.331) 4.906 ======================= Grid point 67 (35/60) ======================= q-point: (-0.43 0.29 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.056 ( -9.919 5.057 -0.930) 11.173 1.188 ( -1.530 4.140 2.720) 5.185 1.246 ( -5.754 7.115 -4.092) 10.024 1.374 ( 5.474 3.472 -2.016) 6.789 1.478 ( -0.610 1.955 2.351) 3.118 1.533 ( 1.507 6.186 5.718) 8.557 1.605 ( -1.182 1.577 -0.412) 2.014 1.637 ( 0.153 -2.036 2.920) 3.563 1.731 ( -5.175 -1.474 -5.356) 7.592 1.808 ( -3.437 -1.288 -1.580) 3.996 1.857 ( -4.813 -2.389 -3.142) 6.224 1.925 ( 5.603 0.754 -0.725) 5.700 1.997 ( -1.878 -0.966 -0.579) 2.190 2.023 ( 0.112 -0.248 -0.641) 0.697 2.123 ( 1.831 -2.067 0.806) 2.876 2.149 ( 2.468 -4.054 -3.508) 5.902 2.285 ( -2.015 -2.538 2.374) 4.018 2.339 ( -5.364 -1.426 -1.392) 5.722 2.404 ( -0.758 -3.107 -0.405) 3.224 2.429 ( 1.128 -5.182 1.005) 5.398 2.515 ( -2.264 -6.493 -1.921) 7.140 2.553 ( 6.274 -3.267 -0.085) 7.074 2.648 ( 2.798 -2.664 0.218) 3.870 2.689 ( 2.019 -4.535 -3.157) 5.883 2.710 ( -1.205 -0.095 -0.356) 1.260 2.741 ( 2.679 -2.150 1.054) 3.593 2.789 ( -2.009 1.866 3.250) 4.252 2.815 ( 0.105 -4.455 -0.576) 4.493 2.831 ( 2.154 -2.513 2.128) 3.935 2.930 ( 1.131 -0.391 -1.563) 1.968 3.005 ( -2.902 -1.220 2.042) 3.752 3.044 ( 0.511 -1.171 2.169) 2.517 3.055 ( 2.301 0.141 2.699) 3.550 3.109 ( -0.612 -1.414 2.554) 2.983 3.153 ( -1.542 -2.738 0.383) 3.166 3.192 ( -3.341 -1.869 0.852) 3.921 3.237 ( -0.592 -2.794 -0.020) 2.857 3.313 ( 1.290 1.037 -5.029) 5.294 3.317 ( -1.050 -0.834 -1.418) 1.951 3.352 ( 2.076 0.415 -0.158) 2.123 3.386 ( 1.278 -0.553 0.143) 1.400 3.413 ( -1.631 -1.793 -0.251) 2.437 3.447 ( -0.797 1.417 -3.214) 3.602 3.479 ( 2.804 -0.127 -0.790) 2.916 3.551 ( 0.205 -0.340 1.011) 1.086 3.574 ( -1.419 0.198 0.467) 1.507 3.576 ( 0.004 0.143 1.247) 1.256 3.611 ( 1.525 -0.081 -0.432) 1.587 3.801 ( -4.140 4.859 1.454) 6.547 3.873 ( 0.610 2.096 1.064) 2.429 3.878 ( 2.087 1.292 -0.789) 2.578 3.898 ( 0.704 1.334 0.810) 1.712 3.952 ( 1.766 1.873 2.989) 3.945 4.017 ( -0.846 2.482 -0.582) 2.686 4.066 ( -0.641 0.387 -1.108) 1.337 4.094 ( -1.640 1.240 0.495) 2.115 4.113 ( 0.381 0.624 0.281) 0.783 4.156 ( 1.314 2.718 -3.427) 4.567 4.172 ( -0.377 -2.737 0.320) 2.781 4.245 ( 1.770 -1.412 -1.889) 2.949 4.406 ( -0.767 0.415 0.609) 1.063 4.436 ( 0.257 -0.483 -0.084) 0.554 4.469 ( -1.579 -3.542 -1.212) 4.063 4.480 ( 0.737 -3.158 0.038) 3.243 4.578 ( -0.481 -4.135 2.320) 4.765 4.602 ( -1.022 -1.725 0.514) 2.070 4.753 ( 1.264 3.324 1.742) 3.960 4.797 ( -0.893 3.413 -2.355) 4.241 4.838 ( 2.602 0.013 1.403) 2.956 4.844 ( -0.336 2.152 -1.393) 2.585 4.964 ( 1.533 -2.673 2.038) 3.694 5.017 ( -0.351 -0.707 -1.296) 1.518 5.106 ( -0.719 2.319 2.589) 3.550 5.171 ( -0.022 0.150 -0.537) 0.558 5.205 ( 0.047 2.730 -0.047) 2.731 5.220 ( 1.034 4.281 -0.234) 4.410 5.241 ( 1.137 0.401 -0.280) 1.238 5.288 ( 1.174 1.601 -0.279) 2.005 5.412 ( 1.689 -2.064 3.638) 4.511 5.440 ( 0.172 -1.938 2.450) 3.129 5.499 ( 1.569 -0.702 0.670) 1.845 5.527 ( 2.447 1.831 1.310) 3.325 5.563 ( -0.274 0.046 -1.042) 1.078 5.569 ( 1.217 1.176 -2.250) 2.815 5.616 ( 0.135 -0.084 -2.226) 2.231 5.651 ( -0.272 -1.116 -3.131) 3.335 5.701 ( -0.381 0.016 0.125) 0.401 5.741 ( 0.882 -0.588 -1.172) 1.580 5.786 ( -0.569 0.455 0.590) 0.937 5.796 ( 0.239 0.182 1.464) 1.494 5.966 ( -0.552 1.633 -0.377) 1.764 5.988 ( 1.304 0.167 -1.185) 1.769 6.052 ( -0.965 -0.461 1.855) 2.141 6.071 ( -1.170 -0.332 0.561) 1.339 6.276 ( 0.325 4.248 1.004) 4.377 6.325 ( 1.996 2.100 -1.354) 3.198 6.424 ( -0.212 2.367 2.115) 3.181 6.467 ( -2.010 1.824 -0.810) 2.833 6.505 ( -0.668 1.043 0.521) 1.344 6.545 ( 0.332 1.976 -1.739) 2.653 6.665 ( -1.030 -0.594 -0.195) 1.205 6.673 ( 0.241 -3.458 0.151) 3.470 6.869 ( -1.167 3.916 1.153) 4.245 6.923 ( 0.146 2.010 -1.403) 2.456 7.067 ( -1.511 -1.983 0.698) 2.589 7.113 ( -1.992 -2.914 -2.157) 4.137 7.222 ( 0.076 -4.185 0.952) 4.293 7.226 ( -1.654 -4.129 -0.331) 4.460 ======================= Grid point 68 (36/60) ======================= q-point: (-0.29 0.29 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.887 ( -9.334 11.943 2.584) 15.377 1.016 ( -11.126 13.635 -0.269) 17.601 1.265 ( -0.663 -0.161 3.864) 3.924 1.376 ( -5.009 0.585 -3.965) 6.416 1.403 ( -4.088 -0.703 -1.612) 4.450 1.551 ( -2.967 0.024 -1.915) 3.531 1.559 ( -12.586 4.679 -2.919) 13.741 1.605 ( -1.690 0.232 -0.620) 1.815 1.661 ( -0.601 -2.865 6.063) 6.733 1.696 ( -1.094 -7.898 0.932) 8.028 1.826 ( 1.840 -1.441 -3.917) 4.561 1.893 ( -1.825 0.128 -1.000) 2.085 1.927 ( -4.884 -1.658 -0.179) 5.161 2.115 ( 5.604 4.208 4.193) 8.166 2.166 ( 6.005 -3.899 -4.753) 8.594 2.229 ( -3.033 -1.538 3.757) 5.067 2.252 ( 2.903 -2.201 -0.845) 3.739 2.298 ( 0.047 -2.131 3.597) 4.181 2.403 ( 1.346 -3.470 -1.833) 4.149 2.450 ( 2.512 -4.763 -0.708) 5.431 2.477 ( -0.171 -3.868 2.866) 4.817 2.593 ( -2.860 -3.462 -3.154) 5.487 2.664 ( 3.220 -4.478 -0.276) 5.522 2.719 ( 3.538 -3.101 -1.406) 4.910 2.733 ( -0.202 -2.927 -1.681) 3.381 2.752 ( 3.048 -2.703 0.895) 4.171 2.827 ( 2.752 -1.222 -0.041) 3.011 2.848 ( 4.504 -1.990 2.425) 5.489 2.914 ( 1.654 -4.986 -1.609) 5.494 2.961 ( 1.151 1.914 -0.002) 2.234 3.000 ( 0.211 1.366 3.862) 4.102 3.032 ( -3.026 -0.409 1.680) 3.485 3.058 ( -5.385 -2.459 -1.008) 6.005 3.098 ( -2.300 1.285 1.438) 3.002 3.143 ( -1.249 -0.083 2.125) 2.466 3.159 ( 0.728 -0.123 0.869) 1.140 3.204 ( -1.519 -2.251 -1.722) 3.215 3.270 ( -1.283 -0.997 -1.396) 2.142 3.293 ( -1.271 1.940 -3.901) 4.538 3.329 ( -0.313 1.543 -3.540) 3.874 3.375 ( -2.263 -2.619 -0.827) 3.559 3.413 ( 0.878 -0.152 0.169) 0.907 3.450 ( 1.542 -0.664 1.984) 2.599 3.511 ( -0.116 -2.478 0.106) 2.483 3.526 ( -1.198 0.384 -1.764) 2.166 3.582 ( 3.587 0.481 1.461) 3.903 3.611 ( 1.160 0.791 1.686) 2.194 3.648 ( 2.010 0.973 0.074) 2.234 3.744 ( -3.528 4.375 1.691) 5.869 3.852 ( -1.901 0.826 -1.720) 2.693 3.911 ( 1.918 -0.689 -1.444) 2.498 3.947 ( 2.695 -0.209 -0.659) 2.782 3.968 ( 0.230 0.995 1.658) 1.947 4.012 ( -0.147 2.213 -1.528) 2.694 4.048 ( -0.998 3.506 2.594) 4.474 4.099 ( 0.728 1.552 1.156) 2.067 4.127 ( -0.694 -0.745 1.090) 1.491 4.172 ( 1.457 0.688 -0.208) 1.625 4.183 ( 3.281 2.197 -1.156) 4.114 4.248 ( 0.255 -1.999 -1.496) 2.510 4.398 ( -0.795 0.833 0.729) 1.362 4.411 ( -1.823 -2.843 0.433) 3.405 4.458 ( 1.746 -0.885 -0.198) 1.967 4.489 ( -0.702 -2.081 -0.288) 2.215 4.575 ( -1.126 -2.917 0.460) 3.160 4.590 ( -0.524 -3.198 0.890) 3.360 4.750 ( -2.022 3.036 -1.654) 4.005 4.784 ( -0.415 -0.450 -0.543) 0.818 4.819 ( 0.013 1.920 -0.823) 2.089 4.882 ( -0.346 1.283 -1.098) 1.724 4.969 ( 1.818 -2.188 0.171) 2.850 5.046 ( 2.495 -1.003 0.245) 2.700 5.130 ( -0.774 0.576 -0.296) 1.009 5.170 ( 1.100 1.723 3.391) 3.959 5.222 ( 2.161 2.727 0.315) 3.493 5.269 ( 1.718 0.820 0.695) 2.027 5.286 ( 4.822 2.791 0.640) 5.608 5.329 ( 2.918 1.531 0.684) 3.366 5.452 ( 1.636 -1.108 -2.156) 2.924 5.467 ( 1.066 0.561 1.397) 1.844 5.550 ( 1.887 -0.941 -1.361) 2.510 5.558 ( 1.425 2.191 -0.145) 2.618 5.563 ( 0.960 -0.562 -0.844) 1.397 5.576 ( 1.879 -0.055 -1.554) 2.439 5.602 ( 1.745 -1.404 -0.665) 2.337 5.653 ( 1.859 0.102 2.004) 2.736 5.698 ( 0.040 -0.356 -0.178) 0.400 5.760 ( 2.097 -0.073 -0.323) 2.123 5.784 ( -0.072 0.160 0.335) 0.378 5.819 ( 0.308 -0.163 1.309) 1.355 5.944 ( -1.014 1.128 -1.280) 1.985 5.996 ( 0.142 -0.152 -0.440) 0.486 6.034 ( -2.870 -0.828 0.844) 3.104 6.058 ( -1.001 -0.260 0.743) 1.273 6.272 ( -1.155 4.729 0.120) 4.870 6.354 ( 2.690 2.000 -1.980) 3.893 6.405 ( -2.756 2.673 0.401) 3.860 6.464 ( -1.311 0.738 1.183) 1.914 6.491 ( 0.727 1.882 1.159) 2.327 6.530 ( 0.820 2.724 -2.206) 3.600 6.635 ( -1.554 0.053 -1.066) 1.885 6.688 ( 0.470 -4.384 1.217) 4.574 6.850 ( -2.204 3.513 0.854) 4.234 6.908 ( -0.340 2.954 -0.916) 3.112 7.036 ( -3.131 -0.969 1.312) 3.530 7.051 ( -3.281 -2.541 -0.138) 4.152 7.181 ( -2.689 -3.596 -1.203) 4.648 7.200 ( -3.914 -5.345 0.559) 6.649 ======================= Grid point 69 (37/60) ======================= q-point: (-0.14 0.29 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.791 ( -5.831 15.820 1.687) 16.945 0.891 ( -5.723 18.220 3.031) 19.337 1.168 ( -4.992 -2.964 -9.945) 11.515 1.203 ( -12.244 11.649 3.874) 17.338 1.284 ( -7.333 0.859 -0.327) 7.391 1.410 ( -0.613 -6.495 4.112) 7.711 1.517 ( -0.849 -3.968 -2.466) 4.748 1.596 ( -1.514 -8.373 -1.669) 8.671 1.639 ( -2.942 -0.701 6.863) 7.500 1.685 ( -3.782 -7.423 0.310) 8.336 1.826 ( 1.294 -5.332 -2.769) 6.146 1.903 ( 5.455 -3.554 1.716) 6.733 1.940 ( 1.513 -2.311 -1.248) 3.031 2.131 ( -2.256 -3.593 -2.698) 5.028 2.174 ( -2.315 0.932 1.983) 3.187 2.278 ( 5.056 0.684 -2.602) 5.727 2.292 ( 1.157 -0.603 1.136) 1.729 2.317 ( 0.164 0.539 0.194) 0.596 2.456 ( 1.877 0.495 2.749) 3.365 2.503 ( 4.451 1.460 -0.225) 4.690 2.539 ( 3.694 -6.104 1.602) 7.312 2.579 ( 1.627 -2.034 1.501) 3.007 2.656 ( 0.934 -3.329 -2.674) 4.371 2.721 ( -1.361 -5.082 0.713) 5.309 2.767 ( 2.890 -3.650 -1.695) 4.954 2.823 ( 0.372 -4.789 1.509) 5.035 2.836 ( -4.727 -0.940 -2.357) 5.365 2.876 ( 1.555 2.564 -2.775) 4.085 2.910 ( 0.949 -3.908 -2.301) 4.633 2.947 ( 2.663 -1.410 -1.270) 3.270 2.973 ( -1.593 -2.314 -0.100) 2.812 3.031 ( -0.254 -1.868 0.874) 2.078 3.044 ( -1.682 -1.021 0.211) 1.978 3.055 ( -0.918 0.968 3.474) 3.721 3.123 ( -3.406 -0.409 -1.075) 3.595 3.160 ( -0.928 2.949 -0.433) 3.122 3.194 ( -0.668 1.140 1.717) 2.167 3.215 ( 0.520 -2.322 0.374) 2.409 3.262 ( -1.086 -0.018 -2.572) 2.792 3.296 ( -0.737 -0.462 1.470) 1.709 3.341 ( 1.057 -0.957 -1.824) 2.315 3.430 ( 0.441 -0.921 -0.208) 1.042 3.477 ( 0.573 0.253 -0.016) 0.627 3.509 ( -0.149 -0.174 0.027) 0.231 3.543 ( 1.611 1.961 0.847) 2.676 3.618 ( -1.366 2.788 1.148) 3.310 3.653 ( -0.385 -0.076 0.832) 0.920 3.656 ( 2.236 2.293 -0.477) 3.238 3.733 ( -0.672 2.002 1.180) 2.419 3.818 ( -0.409 1.067 0.184) 1.158 3.879 ( -0.280 2.408 -5.735) 6.226 3.966 ( -0.468 -0.473 0.170) 0.687 3.993 ( 0.515 0.565 0.303) 0.822 4.018 ( 1.805 -3.100 -0.239) 3.595 4.059 ( -1.562 2.872 4.074) 5.223 4.126 ( -0.399 -0.074 -0.024) 0.407 4.126 ( 1.221 0.936 1.648) 2.255 4.169 ( 0.634 0.179 -2.001) 2.107 4.230 ( 2.089 3.793 0.555) 4.365 4.255 ( 1.129 -1.571 0.765) 2.080 4.395 ( -0.742 0.390 0.889) 1.223 4.419 ( 0.437 -2.246 1.734) 2.871 4.450 ( -1.985 -0.704 -1.239) 2.443 4.513 ( 4.105 -0.065 0.349) 4.120 4.556 ( -0.558 -1.695 -1.708) 2.470 4.594 ( -1.388 -6.219 1.801) 6.621 4.690 ( -3.036 2.774 -0.217) 4.118 4.759 ( -0.158 -0.443 -1.053) 1.154 4.801 ( -1.002 1.922 -0.637) 2.259 4.857 ( -0.144 -0.877 -0.698) 1.130 5.028 ( 2.570 -1.271 1.113) 3.076 5.083 ( -0.183 -1.330 -1.095) 1.732 5.092 ( 0.576 1.811 -0.650) 2.009 5.215 ( -0.227 -0.167 1.977) 1.997 5.266 ( 1.015 1.451 -1.224) 2.152 5.311 ( 2.340 1.404 2.318) 3.580 5.356 ( 1.356 0.257 -1.237) 1.853 5.393 ( 4.286 1.851 2.037) 5.093 5.439 ( 2.076 0.884 -5.116) 5.592 5.519 ( 3.049 1.081 -1.106) 3.418 5.526 ( -0.866 1.004 1.803) 2.238 5.583 ( 1.081 0.191 -0.754) 1.332 5.592 ( 2.130 1.566 -0.963) 2.814 5.602 ( 3.116 0.156 -0.835) 3.229 5.649 ( 2.155 -0.509 1.348) 2.592 5.696 ( 0.414 0.053 1.134) 1.208 5.735 ( 3.267 -0.770 1.383) 3.630 5.775 ( -0.900 0.669 0.675) 1.308 5.791 ( 0.719 -1.077 -0.949) 1.605 5.835 ( 0.868 -0.078 0.576) 1.045 5.902 ( -1.594 0.172 -2.200) 2.722 5.957 ( -3.892 -1.644 -0.460) 4.249 6.001 ( -1.372 -0.182 0.153) 1.393 6.044 ( -1.304 -0.746 -0.183) 1.513 6.261 ( -1.408 2.946 3.197) 4.569 6.340 ( -3.758 2.672 0.594) 4.649 6.402 ( 2.397 0.929 -0.278) 2.586 6.440 ( -0.681 -0.098 0.226) 0.724 6.544 ( 4.161 4.067 -0.420) 5.833 6.547 ( 3.528 2.562 -2.917) 5.246 6.597 ( -1.297 0.935 -0.623) 1.716 6.705 ( 0.280 -3.171 0.379) 3.205 6.819 ( -2.204 3.180 0.912) 3.976 6.899 ( 0.187 3.082 -0.322) 3.104 7.003 ( -2.236 -0.059 1.992) 2.995 7.012 ( -2.781 -2.903 2.409) 4.687 7.086 ( -8.401 -4.711 -0.421) 9.641 7.124 ( -2.507 -2.485 -1.625) 3.886 ======================= Grid point 70 (38/60) ======================= q-point: ( 0.00 0.43 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.988 ( -0.342 5.116 -2.643) 5.769 1.024 ( -0.965 9.793 -6.458) 11.771 1.114 ( 0.302 8.092 -0.409) 8.108 1.131 ( -1.471 -1.055 -1.890) 2.617 1.322 ( 0.043 -4.562 3.412) 5.697 1.363 ( -0.377 -7.067 3.556) 7.920 1.399 ( -0.176 -4.186 -3.438) 5.420 1.435 ( 0.000 -6.226 1.420) 6.386 1.557 ( 1.961 5.697 8.973) 10.808 1.627 ( -1.093 -2.574 3.864) 4.769 1.769 ( 1.683 -1.357 -0.664) 2.262 1.818 ( 1.299 -5.226 -0.599) 5.419 1.922 ( 1.806 1.235 -4.195) 4.731 1.981 ( -0.629 -4.160 -4.433) 6.111 2.237 ( -2.832 5.431 5.613) 8.308 2.318 ( -2.842 -1.236 0.630) 3.162 2.359 ( 0.660 1.834 -0.881) 2.139 2.371 ( 2.291 -0.438 2.617) 3.506 2.501 ( 0.371 3.697 0.885) 3.820 2.544 ( 1.491 -0.217 -1.223) 1.941 2.557 ( -0.616 -1.229 2.103) 2.513 2.588 ( -0.776 -2.729 -2.440) 3.742 2.608 ( -2.665 -0.361 -0.059) 2.690 2.669 ( -3.151 -2.374 -2.463) 4.651 2.689 ( 0.694 -2.518 -2.607) 3.690 2.690 ( 3.226 -0.431 -1.607) 3.630 2.726 ( 0.017 0.160 -2.135) 2.141 2.788 ( 0.922 -4.533 -2.509) 5.263 2.930 ( -0.466 1.131 -0.435) 1.299 2.947 ( 1.397 0.197 -0.610) 1.537 2.969 ( -1.526 -0.144 0.587) 1.641 2.996 ( 0.546 -0.810 -0.205) 0.998 3.046 ( 0.122 0.345 1.410) 1.456 3.062 ( -2.271 -0.591 1.338) 2.701 3.078 ( -2.224 1.460 3.787) 4.628 3.159 ( 0.088 -5.132 1.427) 5.328 3.208 ( 2.601 1.265 1.193) 3.128 3.225 ( 4.214 -0.763 0.125) 4.284 3.270 ( 1.305 0.623 -1.418) 2.025 3.284 ( 1.440 -0.483 -0.308) 1.550 3.371 ( -0.552 2.301 0.270) 2.382 3.418 ( -1.260 -1.997 1.328) 2.709 3.466 ( -1.024 1.419 -2.567) 3.106 3.494 ( 0.172 -0.606 -1.759) 1.869 3.606 ( -2.330 0.914 -0.124) 2.506 3.617 ( -3.182 -0.257 0.789) 3.289 3.635 ( 1.690 1.627 -0.847) 2.494 3.675 ( 0.278 -1.634 -1.658) 2.344 3.768 ( 0.596 3.253 0.290) 3.320 3.843 ( 1.546 -3.078 -3.012) 4.575 3.900 ( 0.007 3.103 2.197) 3.802 3.946 ( 0.627 1.188 1.001) 1.675 3.988 ( -0.895 -1.536 -1.935) 2.628 4.002 ( 0.110 -1.182 -0.236) 1.211 4.085 ( -1.114 1.147 0.596) 1.707 4.107 ( 0.321 -0.170 -0.082) 0.372 4.153 ( -0.335 1.101 1.439) 1.843 4.210 ( 0.344 -2.473 0.036) 2.497 4.271 ( 0.166 2.294 -0.144) 2.305 4.321 ( -0.212 -0.763 -1.328) 1.546 4.364 ( 0.253 1.978 2.754) 3.400 4.392 ( -0.032 -0.680 1.238) 1.413 4.432 ( -1.120 -0.507 -1.585) 2.006 4.464 ( -0.766 -2.435 -2.203) 3.372 4.524 ( -0.163 0.228 2.524) 2.539 4.554 ( 0.967 -2.371 0.995) 2.747 4.735 ( 0.866 2.290 0.860) 2.595 4.761 ( 0.485 -0.669 0.231) 0.857 4.828 ( 1.126 1.350 2.854) 3.352 4.857 ( 1.635 -1.354 1.829) 2.803 5.030 ( -1.363 2.257 -1.138) 2.872 5.086 ( 2.035 -2.951 0.025) 3.585 5.107 ( 0.241 1.748 -2.183) 2.807 5.145 ( -2.923 -1.830 -1.938) 3.956 5.289 ( -1.498 1.753 0.104) 2.308 5.318 ( -2.243 -1.120 0.163) 2.512 5.400 ( 1.429 2.053 0.187) 2.508 5.438 ( 0.056 -1.516 0.993) 1.813 5.488 ( 1.453 1.862 -2.525) 3.457 5.506 ( 0.176 -0.003 -3.860) 3.864 5.590 ( 0.613 0.792 0.639) 1.188 5.593 ( 0.669 0.525 0.317) 0.907 5.637 ( -1.533 1.024 0.928) 2.064 5.647 ( 1.034 -0.121 0.742) 1.278 5.687 ( -0.314 0.252 1.126) 1.196 5.709 ( 0.044 -1.693 2.467) 2.992 5.754 ( -1.060 0.767 0.389) 1.365 5.761 ( 0.359 0.005 -0.003) 0.359 5.801 ( -0.626 -0.006 0.110) 0.636 5.820 ( -1.583 -1.212 -0.033) 1.993 5.877 ( 0.851 -0.091 -2.397) 2.546 5.886 ( 2.612 -0.659 -2.502) 3.676 5.981 ( -0.496 0.569 0.393) 0.851 5.994 ( -1.074 -0.661 0.163) 1.271 6.319 ( 0.462 1.109 3.224) 3.440 6.335 ( -0.159 -0.260 2.817) 2.833 6.411 ( -0.820 1.314 0.352) 1.588 6.441 ( -0.762 -1.190 1.391) 1.983 6.580 ( 0.898 1.397 -3.518) 3.890 6.598 ( 0.841 -0.180 -2.808) 2.937 6.663 ( -0.018 2.314 0.021) 2.314 6.699 ( 1.972 -1.112 -2.017) 3.032 6.860 ( -0.259 1.983 0.849) 2.173 6.884 ( -3.827 -0.539 0.832) 3.953 6.961 ( -0.004 1.872 1.784) 2.586 6.993 ( 1.096 -1.685 1.182) 2.332 7.013 ( -0.042 0.908 0.024) 0.909 7.048 ( 0.860 -2.454 -1.252) 2.886 ======================= Grid point 71 (39/60) ======================= q-point: ( 0.14 0.43 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.015 ( 4.997 11.195 -0.585) 12.274 1.061 ( 10.357 7.950 -1.267) 13.117 1.137 ( 3.870 2.344 -0.088) 4.525 1.219 ( 9.582 -2.946 -0.678) 10.047 1.330 ( 1.331 -2.147 1.928) 3.178 1.413 ( 3.513 -5.376 3.604) 7.364 1.453 ( 5.630 -0.947 -2.196) 6.117 1.505 ( 5.090 -6.122 0.059) 7.962 1.628 ( -2.011 -0.520 2.091) 2.947 1.649 ( 1.974 -2.070 2.792) 3.997 1.789 ( 0.257 -0.593 -4.392) 4.439 1.808 ( 2.217 -2.781 -1.271) 3.777 1.966 ( 4.359 -1.079 -1.869) 4.864 1.967 ( 4.147 -0.746 -2.608) 4.956 2.201 ( -5.932 2.045 4.550) 7.750 2.233 ( -7.856 0.000 3.104) 8.447 2.361 ( -1.088 4.941 0.023) 5.059 2.395 ( -3.771 -0.184 -0.237) 3.782 2.419 ( -4.367 1.383 -2.000) 4.998 2.499 ( -4.417 1.838 2.314) 5.314 2.517 ( -1.077 -5.824 2.446) 6.408 2.567 ( -4.433 -4.029 2.751) 6.592 2.625 ( 4.194 1.638 -1.772) 4.838 2.661 ( 2.752 -1.217 -1.868) 3.542 2.694 ( 0.497 0.550 0.170) 0.761 2.733 ( 4.319 -1.213 0.323) 4.497 2.765 ( 2.957 -1.654 -0.877) 3.500 2.790 ( 2.568 -3.190 -4.336) 5.964 2.903 ( -2.457 0.843 -0.591) 2.664 2.918 ( -3.267 1.374 -0.517) 3.581 2.948 ( -0.576 -1.426 -1.195) 1.948 2.956 ( -3.178 -3.493 0.180) 4.726 3.060 ( 0.968 1.825 1.121) 2.350 3.079 ( -1.027 0.396 1.197) 1.626 3.098 ( 1.456 2.811 1.380) 3.453 3.178 ( 0.411 -2.716 0.747) 2.847 3.199 ( -1.837 -0.609 -1.094) 2.223 3.217 ( -1.419 -3.436 -1.117) 3.882 3.322 ( 1.058 1.086 -2.550) 2.966 3.347 ( -0.086 -0.657 -3.039) 3.110 3.381 ( 4.329 1.129 0.833) 4.550 3.418 ( 4.547 -1.654 2.073) 5.264 3.445 ( -0.884 2.120 2.133) 3.135 3.467 ( -0.560 0.315 -0.899) 1.105 3.559 ( -2.186 0.120 -0.133) 2.194 3.583 ( -2.683 -1.834 2.148) 3.895 3.643 ( -1.408 1.201 0.043) 1.852 3.665 ( 0.350 -0.687 -0.704) 1.044 3.778 ( 0.672 3.259 -0.042) 3.327 3.833 ( 1.464 -1.488 -3.154) 3.782 3.946 ( 1.042 0.500 -0.362) 1.211 3.953 ( 0.179 0.328 -0.381) 0.534 3.965 ( -0.290 0.515 2.498) 2.567 3.980 ( -1.967 -0.487 -0.401) 2.066 4.084 ( 0.203 1.708 0.181) 1.730 4.114 ( 1.114 -0.512 0.074) 1.228 4.141 ( -2.559 0.753 1.097) 2.884 4.192 ( -2.019 -3.288 -0.103) 3.859 4.260 ( -0.640 2.705 -0.457) 2.817 4.304 ( -0.657 -0.946 -0.269) 1.183 4.402 ( 1.203 -0.103 1.701) 2.086 4.410 ( 0.494 -1.079 0.901) 1.490 4.424 ( 0.993 0.149 0.085) 1.008 4.442 ( -0.173 -0.870 -1.417) 1.672 4.521 ( -1.867 1.122 0.774) 2.312 4.559 ( -0.652 -2.243 0.441) 2.377 4.767 ( 1.905 1.311 -0.341) 2.338 4.775 ( 1.578 0.230 -0.848) 1.806 4.876 ( 0.611 0.963 0.653) 1.314 4.889 ( 0.172 0.500 -1.514) 1.604 4.989 ( -1.572 0.196 2.118) 2.645 5.027 ( -3.372 -2.590 -1.727) 4.589 5.131 ( 2.760 2.257 -0.844) 3.664 5.162 ( 2.035 -0.061 1.022) 2.278 5.260 ( -2.874 0.422 1.177) 3.134 5.278 ( -1.660 -1.896 1.617) 2.995 5.398 ( -2.018 1.209 0.257) 2.367 5.410 ( -3.566 -0.192 0.344) 3.588 5.428 ( -4.136 1.109 -3.967) 5.837 5.441 ( -3.531 0.063 -2.916) 4.580 5.581 ( -1.355 1.526 -0.798) 2.191 5.589 ( -2.491 0.787 -0.913) 2.767 5.601 ( -1.191 0.973 1.078) 1.878 5.645 ( -1.715 -2.610 1.218) 3.353 5.712 ( -0.174 1.086 3.076) 3.266 5.724 ( -0.690 0.127 1.610) 1.756 5.745 ( -0.645 1.058 -1.395) 1.866 5.763 ( 0.093 0.427 0.987) 1.080 5.778 ( -1.523 -0.822 0.351) 1.766 5.781 ( -1.897 -1.923 0.240) 2.712 5.893 ( 2.968 1.164 -2.342) 3.956 5.926 ( 3.759 -2.280 -1.652) 4.696 6.006 ( 1.731 0.333 1.087) 2.071 6.008 ( 1.928 0.029 0.609) 2.022 6.366 ( 2.061 0.785 -0.425) 2.246 6.380 ( 2.396 0.002 0.289) 2.414 6.411 ( -0.247 2.485 2.669) 3.656 6.454 ( -0.007 -1.300 2.485) 2.804 6.543 ( -2.138 2.601 -2.682) 4.304 6.579 ( 0.506 -1.198 -2.356) 2.691 6.615 ( -2.989 2.397 -0.560) 3.872 6.666 ( -1.839 -2.843 -0.798) 3.478 6.883 ( 1.830 3.165 1.195) 3.847 6.916 ( 3.680 0.509 0.926) 3.829 6.984 ( 0.792 1.529 0.992) 1.987 7.028 ( 1.723 0.685 0.187) 1.864 7.037 ( 2.960 -2.755 -0.256) 4.052 7.072 ( 3.093 -3.194 -0.971) 4.551 ======================= Grid point 72 (40/60) ======================= q-point: ( 0.29 0.43 -0.75) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.134 ( 4.792 6.581 3.475) 8.852 1.196 ( 4.421 4.554 0.392) 6.359 1.265 ( 9.402 3.930 0.399) 10.198 1.387 ( 9.452 -5.342 0.102) 10.857 1.418 ( 5.765 9.836 1.827) 11.546 1.496 ( 1.243 -0.014 -2.073) 2.417 1.522 ( 7.115 -3.032 -3.265) 8.395 1.596 ( 2.011 -4.931 1.792) 5.619 1.619 ( 5.895 1.691 -0.555) 6.158 1.716 ( 3.463 -5.780 -0.413) 6.751 1.803 ( 5.047 -1.617 -1.527) 5.516 1.846 ( 4.521 -5.073 -0.861) 6.849 1.972 ( 0.648 0.122 -3.518) 3.580 1.979 ( -0.187 -0.770 -3.139) 3.237 2.134 ( -7.239 2.026 3.382) 8.243 2.180 ( -4.462 -2.745 6.057) 8.008 2.314 ( -3.152 3.260 0.286) 4.544 2.345 ( -0.105 0.601 2.470) 2.544 2.389 ( -2.003 0.396 0.119) 2.045 2.453 ( -3.233 -2.875 -1.459) 4.566 2.478 ( -0.972 -1.293 -1.810) 2.427 2.553 ( -2.052 -5.249 2.824) 6.303 2.635 ( 1.042 0.639 -3.196) 3.422 2.658 ( -0.471 -1.348 -3.359) 3.650 2.713 ( -1.206 2.182 0.763) 2.608 2.735 ( -0.881 -0.025 -2.597) 2.743 2.788 ( -0.626 -0.806 -2.419) 2.626 2.810 ( -1.996 -2.381 0.961) 3.252 2.850 ( -1.856 1.408 0.638) 2.415 2.889 ( -1.697 -1.594 -0.256) 2.342 2.902 ( 0.382 0.712 5.504) 5.563 2.966 ( 0.452 -4.051 -0.517) 4.109 3.019 ( -2.575 1.245 -0.479) 2.900 3.050 ( -0.580 -1.865 0.523) 2.022 3.142 ( 1.477 3.482 2.782) 4.695 3.192 ( 0.666 0.917 1.895) 2.208 3.229 ( 2.477 -0.810 1.443) 2.979 3.245 ( 2.386 -4.084 1.544) 4.976 3.313 ( 2.232 0.084 -3.502) 4.154 3.322 ( 2.179 -0.698 -2.895) 3.691 3.391 ( -2.697 1.445 -1.493) 3.404 3.405 ( -0.870 -0.016 -3.145) 3.263 3.473 ( 0.365 0.578 1.223) 1.401 3.496 ( -0.390 -1.667 -0.146) 1.718 3.558 ( 1.631 0.820 -0.658) 1.941 3.580 ( 0.861 -1.011 1.230) 1.810 3.617 ( -2.619 1.320 2.115) 3.616 3.643 ( -2.849 -1.294 0.402) 3.155 3.809 ( 2.419 2.061 0.602) 3.235 3.836 ( 1.909 -0.662 -1.525) 2.531 3.908 ( -2.325 0.620 -1.085) 2.640 3.915 ( -1.203 0.440 -2.253) 2.591 3.983 ( 0.700 2.217 2.253) 3.238 4.022 ( 2.269 -0.897 1.310) 2.769 4.091 ( -0.959 2.100 0.626) 2.392 4.109 ( -1.583 0.161 1.267) 2.034 4.140 ( 0.648 0.202 0.737) 1.002 4.171 ( -0.102 -2.467 0.331) 2.491 4.243 ( -0.943 2.204 -0.755) 2.513 4.281 ( -2.093 -0.530 -0.184) 2.167 4.412 ( -0.458 -0.675 -1.657) 1.846 4.417 ( -0.132 -0.661 -1.338) 1.498 4.436 ( 0.793 -0.186 1.024) 1.308 4.457 ( 1.414 -2.402 2.258) 3.588 4.491 ( -1.371 2.040 -0.876) 2.609 4.546 ( -0.905 -3.085 -0.697) 3.290 4.785 ( 0.935 0.899 -0.281) 1.327 4.786 ( 0.524 0.640 -0.649) 1.051 4.844 ( -1.079 1.762 -3.078) 3.707 4.866 ( 0.337 -0.408 -1.315) 1.417 4.992 ( -0.778 -0.455 -0.041) 0.902 5.003 ( -0.723 -1.527 1.884) 2.531 5.156 ( -0.141 4.059 1.225) 4.242 5.199 ( 0.972 0.379 0.975) 1.428 5.236 ( -2.374 1.390 3.663) 4.581 5.285 ( -2.255 -2.627 1.004) 3.604 5.315 ( -4.011 -0.146 -0.846) 4.102 5.342 ( -3.238 -1.994 -0.642) 3.857 5.347 ( -2.491 1.562 -0.998) 3.105 5.371 ( -1.751 -0.401 -0.014) 1.796 5.533 ( -1.790 1.959 -1.227) 2.924 5.545 ( -2.297 0.473 -0.095) 2.347 5.599 ( -0.630 1.259 1.024) 1.740 5.634 ( -1.215 -2.138 1.016) 2.661 5.669 ( -2.051 1.364 -3.292) 4.111 5.690 ( -2.152 -0.722 -1.674) 2.820 5.753 ( -0.460 0.830 -0.802) 1.242 5.761 ( 0.091 -0.028 -0.059) 0.112 5.781 ( -0.392 -0.320 2.082) 2.142 5.783 ( -0.599 -0.512 2.958) 3.061 5.921 ( 2.851 1.594 -1.446) 3.573 5.965 ( 2.474 -2.876 -1.113) 3.953 6.041 ( 0.506 0.459 1.553) 1.697 6.046 ( 0.752 -0.101 1.472) 1.656 6.370 ( -0.695 1.845 -1.335) 2.381 6.388 ( -0.548 0.224 -2.593) 2.660 6.434 ( -0.263 2.993 0.930) 3.145 6.475 ( 0.802 -0.543 1.152) 1.505 6.499 ( -0.354 1.940 1.092) 2.254 6.544 ( -0.871 -2.104 -0.138) 2.281 6.620 ( 2.224 1.411 -0.670) 2.717 6.659 ( 0.914 -2.319 -0.494) 2.541 6.926 ( 1.470 4.243 1.153) 4.636 6.976 ( 2.496 3.008 -0.016) 3.908 7.006 ( 0.957 -0.807 0.479) 1.340 7.066 ( 2.334 -2.935 -0.625) 3.802 7.086 ( 3.274 -0.898 -0.206) 3.401 7.121 ( 2.870 -3.951 -0.382) 4.898 ======================= Grid point 73 (41/60) ======================= q-point: ( 0.43 0.43 -0.75) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.198 ( 0.028 3.700 1.782) 4.107 1.231 ( -0.607 1.467 0.132) 1.593 1.427 ( 6.558 3.272 1.552) 7.491 1.465 ( 1.900 -0.339 0.871) 2.118 1.480 ( 1.330 8.005 -4.623) 9.339 1.502 ( 0.231 2.170 0.300) 2.203 1.610 ( 5.581 1.811 0.992) 5.951 1.671 ( 8.573 -1.957 0.138) 8.795 1.735 ( -0.509 -1.211 -2.398) 2.734 1.772 ( 5.641 -2.838 -0.330) 6.323 1.820 ( -2.543 -3.055 0.160) 3.978 1.873 ( -1.773 -3.505 -1.419) 4.176 1.963 ( 2.396 2.037 -0.800) 3.245 1.985 ( 2.450 -0.596 -1.400) 2.885 2.106 ( -0.787 0.402 3.380) 3.494 2.186 ( 2.186 -7.131 3.039) 8.054 2.231 ( -5.780 0.957 2.398) 6.330 2.292 ( -7.098 -4.452 0.797) 8.417 2.370 ( -2.924 5.259 -3.130) 6.783 2.439 ( 3.387 0.705 -5.412) 6.423 2.463 ( 3.179 -2.977 -2.738) 5.144 2.497 ( -5.337 -5.394 -3.130) 8.208 2.590 ( -0.768 -0.282 -2.109) 2.263 2.613 ( 0.172 -2.598 -0.451) 2.643 2.680 ( 0.103 1.353 -1.609) 2.105 2.721 ( 0.346 -2.317 -0.935) 2.523 2.774 ( 0.138 1.702 4.435) 4.753 2.798 ( -0.967 -1.788 0.252) 2.048 2.823 ( -1.888 0.958 -3.243) 3.873 2.880 ( 3.839 -3.168 2.345) 5.502 2.938 ( -1.824 -0.080 2.523) 3.115 2.969 ( 0.197 -2.648 3.626) 4.495 3.040 ( -1.680 2.293 5.468) 6.163 3.082 ( -2.865 -1.662 4.268) 5.402 3.172 ( 0.474 1.682 0.205) 1.760 3.200 ( -0.327 -0.378 -0.535) 0.732 3.236 ( -1.419 2.071 0.826) 2.644 3.295 ( -0.067 -3.333 1.117) 3.516 3.332 ( 2.448 1.142 -1.753) 3.220 3.343 ( 1.194 0.705 -2.960) 3.269 3.363 ( 2.222 -1.666 -2.831) 3.966 3.368 ( 2.396 -1.577 -1.274) 3.139 3.461 ( -0.782 1.089 -1.004) 1.675 3.491 ( -0.165 -1.701 -0.757) 1.870 3.555 ( -0.657 1.209 -1.268) 1.871 3.581 ( -0.973 -1.347 -1.211) 2.057 3.600 ( -0.958 1.186 0.828) 1.735 3.610 ( -0.685 0.216 0.745) 1.035 3.856 ( 1.435 0.335 1.088) 1.831 3.858 ( 0.799 0.353 0.726) 1.136 3.891 ( 0.912 1.427 -0.634) 1.808 3.901 ( 1.669 0.360 0.235) 1.723 4.007 ( -1.797 3.893 2.305) 4.868 4.055 ( 0.247 -0.258 0.532) 0.641 4.074 ( -0.628 1.605 0.636) 1.837 4.106 ( -0.993 -1.199 1.753) 2.344 4.145 ( -0.785 0.284 0.175) 0.853 4.167 ( -0.795 -0.313 -0.661) 1.080 4.213 ( 0.217 0.441 -2.904) 2.946 4.233 ( -1.711 -0.238 -2.091) 2.713 4.407 ( 1.520 -0.487 -0.668) 1.730 4.411 ( 0.827 -0.804 -0.828) 1.420 4.438 ( -1.282 0.995 -0.485) 1.694 4.459 ( -0.656 -1.846 -0.652) 2.065 4.498 ( 0.178 -1.052 1.743) 2.044 4.533 ( 0.384 -3.631 0.605) 3.701 4.794 ( 0.882 1.631 1.423) 2.337 4.809 ( -0.408 1.535 1.401) 2.118 4.826 ( 2.107 1.486 0.375) 2.605 4.867 ( 0.510 -1.707 -0.822) 1.962 4.967 ( -1.200 1.656 -2.317) 3.090 5.002 ( -0.377 -1.538 0.035) 1.584 5.147 ( -2.427 2.736 2.501) 4.431 5.196 ( -3.715 -1.674 0.041) 4.075 5.226 ( 1.577 1.433 -0.540) 2.198 5.248 ( -0.068 -0.190 -0.255) 0.325 5.291 ( -1.149 1.290 2.655) 3.167 5.318 ( -0.748 2.559 0.492) 2.711 5.341 ( -0.974 -3.499 3.513) 5.053 5.352 ( -0.326 -0.820 0.746) 1.155 5.506 ( -0.507 1.442 -0.455) 1.594 5.520 ( -0.279 0.453 0.310) 0.615 5.588 ( -0.943 0.803 -1.005) 1.595 5.601 ( -0.960 -0.452 -2.730) 2.929 5.626 ( 0.296 0.562 -2.040) 2.137 5.652 ( -0.779 -2.035 -0.590) 2.257 5.733 ( -0.582 1.093 -1.407) 1.875 5.745 ( -0.214 -0.000 -2.105) 2.116 5.788 ( -0.717 -0.153 1.272) 1.468 5.791 ( -0.785 -0.398 0.984) 1.320 5.961 ( 2.487 1.015 -0.143) 2.690 5.987 ( 1.291 -1.594 -0.915) 2.246 6.051 ( -1.403 0.732 2.290) 2.783 6.065 ( -0.701 -0.600 1.850) 2.067 6.334 ( -0.716 2.363 -0.822) 2.603 6.351 ( -0.071 0.433 -1.820) 1.873 6.450 ( 0.334 2.572 1.512) 3.002 6.495 ( 0.287 -1.779 0.354) 1.836 6.521 ( 0.406 1.835 1.657) 2.506 6.551 ( 0.262 -1.103 0.678) 1.321 6.636 ( 0.964 0.738 -1.632) 2.034 6.664 ( 0.562 -1.633 -1.424) 2.239 6.952 ( 0.172 4.501 1.002) 4.614 7.001 ( 1.037 5.233 -0.799) 5.394 7.025 ( 0.352 -2.687 0.769) 2.817 7.085 ( 1.172 -3.254 -1.522) 3.779 7.133 ( 1.855 -1.830 0.192) 2.613 7.150 ( 0.685 -3.900 -0.120) 3.961 ======================= Grid point 74 (42/60) ======================= q-point: (-0.43 0.43 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.174 ( -3.964 5.770 1.222) 7.107 1.231 ( 0.664 0.159 1.392) 1.551 1.402 ( -5.538 7.631 -1.881) 9.615 1.438 ( -2.535 3.225 0.004) 4.102 1.499 ( -3.116 -1.052 0.658) 3.354 1.543 ( 1.767 -3.991 -0.712) 4.422 1.641 ( -4.462 1.766 -1.582) 5.052 1.669 ( -5.077 1.097 -1.881) 5.524 1.706 ( -6.619 1.203 2.618) 7.219 1.763 ( -3.454 -2.052 0.433) 4.040 1.813 ( 3.548 0.186 -2.596) 4.400 1.888 ( 6.440 -4.876 0.036) 8.077 1.994 ( 0.175 -0.651 -0.311) 0.742 2.006 ( 2.112 -1.304 -1.048) 2.695 2.121 ( -2.020 2.915 2.922) 4.596 2.145 ( -1.497 2.775 0.054) 3.154 2.248 ( -1.726 -0.921 3.607) 4.103 2.282 ( -1.848 -2.984 0.649) 3.570 2.318 ( 1.609 -5.245 -1.649) 5.728 2.336 ( -0.701 -3.833 -1.738) 4.266 2.452 ( 2.444 -0.150 -3.514) 4.283 2.488 ( 5.094 -3.279 -3.913) 7.211 2.609 ( 3.112 -0.622 -2.562) 4.079 2.627 ( 1.966 -2.176 -4.137) 5.071 2.688 ( -3.380 0.103 0.652) 3.444 2.708 ( 1.434 -1.535 1.608) 2.646 2.753 ( -0.476 -0.875 -2.867) 3.035 2.768 ( 2.603 -1.522 -1.703) 3.463 2.905 ( 0.676 4.265 5.472) 6.971 2.944 ( 0.507 1.136 5.830) 5.961 2.971 ( -0.450 -1.154 0.957) 1.565 3.010 ( 1.843 -2.431 2.895) 4.206 3.057 ( -0.054 -0.392 2.503) 2.534 3.069 ( 1.178 -2.138 3.765) 4.487 3.142 ( -3.747 1.412 -0.410) 4.025 3.172 ( -2.787 -1.207 0.540) 3.084 3.215 ( -3.156 1.620 -0.144) 3.550 3.272 ( -1.698 -2.935 -0.511) 3.429 3.346 ( 3.043 1.051 -3.145) 4.500 3.356 ( 2.466 -0.515 -0.614) 2.593 3.377 ( -0.112 0.203 -1.942) 1.955 3.399 ( 2.274 0.378 0.392) 2.339 3.441 ( -0.204 -1.220 -2.795) 3.056 3.455 ( 0.258 -1.726 -2.501) 3.050 3.561 ( -0.458 1.204 -0.125) 1.294 3.575 ( -1.162 -0.026 0.435) 1.242 3.587 ( -0.143 0.617 0.040) 0.634 3.602 ( 1.278 -0.845 0.624) 1.654 3.864 ( -1.458 1.659 0.877) 2.376 3.880 ( 0.530 -0.342 0.292) 0.695 3.908 ( 1.217 1.607 0.301) 2.038 3.932 ( 0.229 0.055 -1.313) 1.334 3.983 ( -2.395 3.394 2.839) 5.031 4.049 ( -2.198 -1.346 2.106) 3.329 4.082 ( 0.313 1.146 1.012) 1.561 4.103 ( -1.082 -0.832 1.061) 1.729 4.139 ( -0.181 1.630 -1.635) 2.316 4.153 ( 1.391 2.003 1.395) 2.810 4.187 ( 0.838 0.049 -3.181) 3.290 4.214 ( 2.530 -1.949 -2.417) 4.006 4.412 ( -0.446 0.276 -0.371) 0.642 4.423 ( -0.329 -1.166 -1.338) 1.805 4.428 ( 0.200 -0.491 -1.022) 1.152 4.433 ( 1.093 -1.375 0.069) 1.758 4.520 ( -0.436 -0.795 1.889) 2.095 4.549 ( 0.189 -2.990 0.363) 3.018 4.806 ( -0.247 2.317 0.723) 2.440 4.832 ( -1.232 0.108 -0.334) 1.281 4.863 ( 3.070 2.055 2.136) 4.267 4.906 ( -0.159 2.333 0.224) 2.349 4.910 ( 0.460 -1.290 -0.179) 1.381 4.975 ( -1.166 -3.183 -2.580) 4.260 5.153 ( 0.200 2.378 2.446) 3.418 5.183 ( 1.001 0.062 1.702) 1.975 5.233 ( 1.010 0.031 -1.193) 1.563 5.241 ( -0.428 0.105 -0.809) 0.921 5.293 ( 0.489 3.194 0.246) 3.240 5.326 ( 1.079 1.188 -0.547) 1.695 5.377 ( 1.220 -1.195 4.969) 5.254 5.396 ( 0.747 -2.079 5.251) 5.697 5.504 ( 1.492 1.401 -1.757) 2.697 5.535 ( 1.705 -1.003 -0.888) 2.168 5.568 ( 0.095 0.511 -0.300) 0.601 5.579 ( 1.102 -0.360 -1.696) 2.055 5.616 ( 0.551 0.264 -2.968) 3.031 5.629 ( 0.705 -1.090 -3.245) 3.495 5.709 ( -0.562 0.798 -0.628) 1.161 5.726 ( 0.142 -0.868 -0.970) 1.310 5.789 ( -0.242 0.047 0.793) 0.830 5.793 ( 0.048 -0.324 1.148) 1.194 5.989 ( 0.008 0.423 -1.055) 1.137 5.990 ( 1.222 0.297 -0.558) 1.376 6.046 ( -2.089 0.137 2.502) 3.262 6.058 ( -2.009 -0.880 1.762) 2.814 6.340 ( 1.555 2.081 -0.729) 2.698 6.354 ( 2.002 0.542 -1.488) 2.553 6.474 ( 0.653 2.513 1.997) 3.276 6.495 ( -0.583 0.710 -0.111) 0.926 6.523 ( -2.234 0.804 1.285) 2.700 6.551 ( -0.837 -1.968 1.039) 2.377 6.625 ( -0.111 0.417 -1.509) 1.570 6.650 ( -0.076 -1.469 -1.804) 2.327 6.952 ( -1.344 4.334 1.111) 4.672 6.998 ( -0.331 4.180 -0.990) 4.308 7.027 ( -1.248 -1.922 0.997) 2.499 7.073 ( -0.704 -1.511 -1.585) 2.300 7.140 ( -1.413 -3.489 0.114) 3.766 7.147 ( -0.561 -3.423 -0.156) 3.472 ======================= Grid point 75 (43/60) ======================= q-point: (-0.29 0.43 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.131 ( -3.525 12.127 2.846) 12.945 1.266 ( -5.138 7.937 3.258) 10.000 1.271 ( -3.065 3.101 0.825) 4.438 1.351 ( -7.444 -1.760 -1.476) 7.791 1.406 ( -6.853 -1.679 0.512) 7.075 1.445 ( -12.069 -6.409 -0.962) 13.699 1.501 ( -3.562 -5.877 -2.206) 7.218 1.534 ( -4.388 -4.819 -2.851) 7.113 1.684 ( -6.769 3.517 -0.971) 7.690 1.700 ( -4.511 1.606 5.116) 7.008 1.817 ( 1.175 1.667 -3.716) 4.239 1.880 ( -4.926 -2.588 -4.396) 7.091 1.952 ( -0.723 3.150 -0.823) 3.335 2.035 ( 2.510 -5.944 -1.886) 6.722 2.183 ( 3.722 0.714 6.494) 7.519 2.205 ( 0.993 -1.597 5.471) 5.785 2.247 ( 1.596 1.726 -0.942) 2.533 2.316 ( 1.889 -3.369 -2.151) 4.421 2.327 ( 6.059 3.655 1.965) 7.344 2.392 ( 3.977 -1.025 -1.539) 4.386 2.432 ( 0.087 -0.636 0.645) 0.910 2.499 ( 0.073 -6.456 -0.501) 6.476 2.616 ( 2.432 0.293 -1.756) 3.014 2.662 ( 4.986 -3.069 -2.832) 6.504 2.691 ( -0.920 -0.401 -0.966) 1.393 2.714 ( 1.358 -1.432 0.451) 2.024 2.794 ( 4.039 -0.127 1.373) 4.268 2.822 ( 4.169 -2.184 0.779) 4.771 2.887 ( 0.806 1.790 -1.552) 2.503 2.937 ( -0.893 -2.846 -2.680) 4.010 3.009 ( -4.302 0.462 2.372) 4.934 3.032 ( -3.302 -1.322 3.888) 5.270 3.054 ( -1.084 2.155 -2.697) 3.618 3.113 ( -1.191 -3.224 -3.393) 4.829 3.149 ( -4.083 3.541 2.146) 5.815 3.161 ( 3.894 1.721 6.141) 7.472 3.188 ( 3.885 -0.501 4.779) 6.179 3.228 ( -2.837 -3.484 0.034) 4.493 3.326 ( -1.268 1.188 -4.625) 4.941 3.339 ( -1.962 -0.009 -2.377) 3.082 3.374 ( -1.599 0.996 -3.532) 4.003 3.391 ( -1.165 -1.331 -1.928) 2.616 3.442 ( 1.930 0.374 0.282) 1.986 3.469 ( 1.907 -1.728 1.307) 2.886 3.530 ( -0.133 0.590 -0.870) 1.059 3.557 ( 2.694 -1.987 0.908) 3.469 3.632 ( 1.799 1.120 1.989) 2.906 3.651 ( 2.025 -0.629 0.928) 2.315 3.838 ( -2.443 4.779 1.407) 5.549 3.874 ( -2.404 1.502 -2.784) 3.974 3.888 ( 0.829 -1.285 -1.633) 2.237 3.925 ( 0.659 -2.448 -1.139) 2.780 3.990 ( -0.372 1.585 2.095) 2.654 4.029 ( -2.384 -1.627 1.499) 3.253 4.090 ( -0.255 1.458 1.203) 1.907 4.111 ( 0.220 -0.716 1.369) 1.560 4.131 ( 0.243 2.354 -0.014) 2.367 4.184 ( 1.151 -2.353 -0.642) 2.697 4.223 ( 3.403 3.718 0.894) 5.118 4.254 ( 3.736 1.124 -0.977) 4.022 4.379 ( -1.571 -0.104 -0.835) 1.783 4.399 ( -0.693 -1.249 -0.836) 1.655 4.447 ( 1.680 -0.429 0.514) 1.809 4.454 ( 0.572 -1.357 0.909) 1.730 4.511 ( -1.579 -0.805 0.241) 1.789 4.540 ( -0.560 -2.752 -1.031) 2.991 4.792 ( -1.559 0.952 -0.921) 2.046 4.793 ( -2.370 1.077 -1.328) 2.922 4.852 ( -1.391 1.518 -1.396) 2.488 4.886 ( -2.289 -1.725 -3.027) 4.169 4.949 ( 3.504 1.469 2.002) 4.295 4.997 ( 2.518 -3.017 1.226) 4.116 5.183 ( -0.212 3.673 0.991) 3.810 5.215 ( -0.065 2.482 1.975) 3.173 5.248 ( 2.108 -1.309 1.524) 2.912 5.251 ( 1.541 -1.292 0.255) 2.027 5.330 ( 2.879 1.596 0.319) 3.308 5.352 ( 2.765 -0.086 -0.748) 2.866 5.454 ( 3.057 1.033 0.004) 3.227 5.469 ( 2.250 -0.068 3.670) 4.305 5.520 ( 3.022 -0.311 -2.047) 3.663 5.547 ( 2.913 -2.245 -4.342) 5.690 5.573 ( -0.060 0.438 -0.907) 1.009 5.580 ( 1.383 -0.102 0.336) 1.427 5.610 ( 1.972 1.791 -0.627) 2.737 5.644 ( 2.101 -1.424 1.157) 2.789 5.704 ( 0.163 1.336 0.058) 1.347 5.737 ( 1.451 -1.755 0.094) 2.279 5.797 ( 0.114 0.732 0.682) 1.007 5.810 ( 0.238 -0.667 1.358) 1.532 5.962 ( -1.617 0.941 -1.573) 2.444 5.983 ( -1.353 -1.140 -1.363) 2.233 6.029 ( -2.264 0.527 2.044) 3.095 6.045 ( -1.719 -0.915 1.717) 2.596 6.343 ( -0.144 2.549 -1.386) 2.905 6.371 ( 1.639 -0.292 -1.845) 2.486 6.458 ( -3.566 2.237 0.696) 4.267 6.476 ( -4.160 0.291 1.319) 4.374 6.527 ( 3.293 1.790 0.903) 3.855 6.562 ( 1.808 -0.704 -0.836) 2.112 6.613 ( -0.126 -0.197 -0.367) 0.435 6.636 ( 0.590 -1.558 -0.593) 1.768 6.932 ( -2.545 4.194 1.398) 5.101 6.973 ( -1.511 2.503 -0.237) 2.933 7.004 ( -2.512 -0.869 0.949) 2.822 7.036 ( -1.755 -0.161 -1.133) 2.095 7.100 ( -3.326 -3.317 -0.116) 4.699 7.118 ( -2.392 -3.570 -0.463) 4.322 ======================= Grid point 76 (44/60) ======================= q-point: (-0.14 0.43 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.069 ( -5.477 11.668 0.260) 12.892 1.142 ( -7.762 1.085 -3.838) 8.727 1.208 ( -4.678 10.762 -1.897) 11.887 1.233 ( -7.283 -1.924 0.011) 7.533 1.312 ( -4.075 -0.760 2.395) 4.787 1.322 ( -2.363 -3.735 2.891) 5.282 1.425 ( -2.017 -4.498 0.373) 4.943 1.520 ( -1.448 -8.886 2.016) 9.226 1.523 ( -7.254 2.681 0.918) 7.788 1.605 ( -6.421 -3.366 2.024) 7.527 1.777 ( -0.828 0.173 -3.811) 3.904 1.821 ( 0.127 -4.039 -0.684) 4.099 1.946 ( 0.676 2.686 -2.426) 3.682 2.029 ( -0.240 -5.579 -2.559) 6.143 2.218 ( -2.356 3.398 4.147) 5.856 2.274 ( 2.500 -1.472 2.199) 3.640 2.313 ( 4.421 2.081 -0.288) 4.895 2.349 ( 2.829 -0.034 0.470) 2.867 2.454 ( 4.420 -0.102 2.114) 4.900 2.476 ( 5.931 0.246 -1.224) 6.061 2.513 ( 6.156 0.118 2.483) 6.639 2.540 ( 1.529 -1.880 1.777) 3.005 2.615 ( 0.966 -0.279 -2.452) 2.650 2.650 ( -0.080 -2.930 0.184) 2.937 2.709 ( 1.494 -1.985 -2.289) 3.378 2.721 ( 0.353 -3.974 -0.983) 4.109 2.847 ( -5.567 0.904 1.005) 5.729 2.851 ( -2.803 -0.186 -2.205) 3.571 2.917 ( 3.967 -1.088 -1.566) 4.402 2.926 ( 2.991 0.395 -0.483) 3.056 2.938 ( -1.175 -0.280 -0.631) 1.363 2.976 ( -1.698 -2.987 3.203) 4.697 3.052 ( -0.534 1.499 -0.902) 1.829 3.086 ( 0.133 0.065 -1.203) 1.212 3.105 ( -5.058 0.655 3.786) 6.351 3.158 ( -1.968 -2.986 0.031) 3.576 3.211 ( -1.871 1.364 -3.327) 4.054 3.219 ( -3.008 0.546 -1.487) 3.400 3.276 ( 0.785 1.164 -2.226) 2.632 3.293 ( 0.317 -0.229 0.008) 0.392 3.345 ( 1.387 1.600 0.491) 2.174 3.392 ( 1.078 -2.669 2.644) 3.909 3.470 ( 1.425 0.116 0.072) 1.431 3.492 ( 1.028 -1.640 -0.412) 1.979 3.588 ( 3.673 2.306 0.536) 4.370 3.627 ( 1.803 -1.668 1.597) 2.930 3.655 ( -1.013 1.241 0.100) 1.605 3.674 ( 0.763 -0.342 -0.751) 1.124 3.784 ( -2.520 3.829 -0.823) 4.657 3.852 ( 0.374 -0.700 -1.833) 1.997 3.876 ( 0.741 0.505 -0.130) 0.906 3.936 ( 0.273 -4.049 1.587) 4.357 3.997 ( -0.151 1.483 -1.220) 1.926 4.006 ( 0.293 0.378 -0.403) 0.626 4.100 ( -0.794 1.324 1.309) 2.024 4.116 ( -1.483 -0.735 0.384) 1.699 4.136 ( 0.728 1.883 0.308) 2.042 4.196 ( 1.123 -2.468 -0.501) 2.757 4.258 ( 1.252 4.798 -0.609) 4.996 4.306 ( 1.780 2.806 1.232) 3.544 4.370 ( -1.379 -2.738 -0.606) 3.125 4.379 ( 0.040 -1.485 1.691) 2.250 4.466 ( -0.721 1.673 -0.386) 1.862 4.489 ( 0.446 -1.979 1.783) 2.701 4.501 ( 1.773 -2.105 1.146) 2.981 4.512 ( -0.362 -2.693 -2.197) 3.494 4.739 ( -2.251 1.967 0.154) 2.993 4.759 ( -0.947 -0.012 -0.082) 0.950 4.820 ( -1.474 0.539 0.000) 1.570 4.839 ( -0.306 -1.184 -1.012) 1.587 5.017 ( 2.694 0.382 0.550) 2.776 5.041 ( 2.350 -1.990 -0.250) 3.089 5.155 ( -2.168 3.743 -1.322) 4.523 5.214 ( -2.443 -1.432 0.095) 2.834 5.288 ( 0.994 1.228 1.493) 2.174 5.314 ( 1.503 -0.685 2.742) 3.201 5.368 ( 2.125 1.162 -1.034) 2.633 5.398 ( 3.153 -1.323 -0.213) 3.426 5.472 ( 3.693 2.453 -4.607) 6.393 5.520 ( 2.407 -2.022 -4.148) 5.204 5.548 ( 2.795 1.848 0.958) 3.485 5.575 ( 1.341 -0.267 -0.026) 1.368 5.600 ( 2.636 0.751 1.216) 2.999 5.631 ( 1.582 -1.111 1.819) 2.655 5.645 ( 2.128 1.902 1.453) 3.203 5.685 ( 1.505 -1.869 -0.128) 2.403 5.727 ( 1.728 1.385 1.730) 2.810 5.762 ( 0.755 -1.751 0.057) 1.907 5.803 ( -0.175 1.513 0.418) 1.579 5.827 ( 0.294 -0.850 0.920) 1.287 5.906 ( -2.101 0.410 -2.221) 3.085 5.923 ( -3.186 -1.470 -1.371) 3.767 6.006 ( -2.289 0.770 0.682) 2.509 6.026 ( -2.089 -1.091 0.550) 2.420 6.313 ( -2.362 2.468 1.154) 3.606 6.353 ( -3.051 -1.423 0.433) 3.394 6.418 ( -1.299 1.671 1.181) 2.424 6.444 ( -1.145 -0.546 1.107) 1.684 6.580 ( 3.147 1.089 -2.387) 4.097 6.595 ( 2.539 -0.365 -1.831) 3.152 6.618 ( 2.715 2.947 -0.447) 4.032 6.663 ( 2.563 -1.753 -0.359) 3.126 6.893 ( -3.419 4.084 1.025) 5.424 6.954 ( -1.747 1.086 2.109) 2.946 6.963 ( -3.497 -1.234 0.307) 3.721 6.994 ( -1.981 -1.406 -0.399) 2.462 7.034 ( -3.069 -0.054 0.051) 3.070 7.071 ( -1.800 -2.888 -1.052) 3.562 ======================= Grid point 98 (45/60) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 32 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.705 ( 4.140 0.000 -9.328) 10.205 0.705 ( -4.140 0.000 9.328) 10.205 0.831 ( -2.405 0.000 -10.578) 10.848 0.831 ( 2.405 0.000 10.578) 10.848 1.241 ( -4.282 0.000 -25.737) 26.091 1.241 ( 4.282 0.000 25.737) 26.091 1.669 ( 1.257 0.000 -0.861) 1.523 1.669 ( -1.257 0.000 0.861) 1.523 1.912 ( 1.862 0.000 -4.090) 4.494 1.912 ( -1.862 0.000 4.090) 4.494 1.965 ( -1.639 0.000 -4.738) 5.014 1.965 ( 1.639 0.000 4.738) 5.014 2.117 ( 8.277 0.000 -3.417) 8.954 2.117 ( -8.277 0.000 3.417) 8.954 2.175 ( 0.327 0.000 -0.655) 0.732 2.175 ( -0.327 0.000 0.655) 0.732 2.398 ( 3.685 0.000 -3.545) 5.113 2.398 ( -3.685 0.000 3.545) 5.113 2.488 ( 4.228 0.000 -4.086) 5.879 2.488 ( -4.228 0.000 4.086) 5.879 2.591 ( -0.424 0.000 -3.426) 3.452 2.591 ( 0.424 0.000 3.426) 3.452 2.752 ( 0.461 0.000 -1.117) 1.208 2.752 ( -0.461 0.000 1.117) 1.208 2.825 ( -2.179 0.000 -1.911) 2.898 2.825 ( 2.179 0.000 1.911) 2.898 2.859 ( -0.927 0.000 -1.540) 1.798 2.859 ( 0.927 0.000 1.540) 1.798 3.025 ( -6.030 0.000 -1.617) 6.243 3.025 ( 6.030 0.000 1.617) 6.243 3.054 ( -4.145 0.000 0.124) 4.147 3.054 ( 4.145 0.000 -0.124) 4.147 3.113 ( 0.070 0.000 -2.586) 2.587 3.113 ( -0.070 0.000 2.586) 2.587 3.153 ( 0.365 0.000 -1.066) 1.126 3.153 ( -0.365 0.000 1.066) 1.126 3.264 ( -3.675 0.000 -0.177) 3.679 3.264 ( 3.675 0.000 0.177) 3.679 3.327 ( -0.455 0.000 -0.520) 0.691 3.327 ( 0.455 0.000 0.520) 0.691 3.358 ( -0.342 0.000 -3.571) 3.587 3.358 ( 0.342 0.000 3.571) 3.587 3.453 ( -2.069 0.000 0.219) 2.081 3.453 ( 2.069 0.000 -0.219) 2.081 3.471 ( 0.965 0.000 -0.684) 1.183 3.471 ( -0.965 0.000 0.684) 1.183 3.575 ( 3.144 0.000 -3.033) 4.369 3.575 ( -3.144 0.000 3.033) 4.369 3.711 ( 1.306 0.000 -2.832) 3.118 3.711 ( -1.306 0.000 2.832) 3.118 3.928 ( -4.473 0.000 -3.191) 5.495 3.928 ( 4.473 0.000 3.191) 5.495 4.033 ( -2.903 0.000 -1.402) 3.224 4.033 ( 2.903 0.000 1.402) 3.224 4.051 ( 1.966 0.000 -2.539) 3.212 4.051 ( -1.966 0.000 2.539) 3.212 4.168 ( 1.023 0.000 -1.947) 2.199 4.168 ( -1.023 0.000 1.947) 2.199 4.307 ( -0.856 0.000 -0.172) 0.873 4.307 ( 0.856 0.000 0.172) 0.873 4.383 ( 0.213 0.000 -1.335) 1.352 4.383 ( -0.213 0.000 1.335) 1.352 4.513 ( -7.371 0.000 -0.861) 7.421 4.513 ( 7.371 0.000 0.861) 7.421 4.573 ( 1.731 0.000 -3.535) 3.936 4.573 ( -1.731 0.000 3.535) 3.936 4.696 ( 1.662 0.000 -3.578) 3.946 4.696 ( -1.662 0.000 3.578) 3.946 4.835 ( -1.355 0.000 -2.718) 3.037 4.835 ( 1.355 0.000 2.718) 3.037 5.024 ( -1.073 0.000 -3.905) 4.050 5.024 ( 1.073 0.000 3.905) 4.050 5.156 ( 1.803 0.000 -1.067) 2.095 5.156 ( -1.803 0.000 1.067) 2.095 5.304 ( 0.703 0.000 -0.667) 0.969 5.304 ( -0.703 0.000 0.667) 0.969 5.355 ( 1.786 0.000 -0.655) 1.903 5.355 ( -1.786 0.000 0.655) 1.903 5.404 ( 0.138 0.000 -0.377) 0.401 5.404 ( -0.138 0.000 0.377) 0.401 5.564 ( -0.805 0.000 -0.373) 0.887 5.564 ( 0.805 0.000 0.373) 0.887 5.649 ( -2.098 0.000 -2.653) 3.382 5.649 ( 2.098 0.000 2.653) 3.382 5.697 ( -3.675 0.000 -1.885) 4.130 5.697 ( 3.675 0.000 1.885) 4.130 5.784 ( 2.404 0.000 -2.985) 3.833 5.784 ( -2.404 0.000 2.985) 3.833 5.807 ( -1.755 0.000 -1.424) 2.260 5.807 ( 1.755 0.000 1.424) 2.260 5.933 ( -1.152 0.000 -2.660) 2.898 5.933 ( 1.152 0.000 2.660) 2.898 5.970 ( -3.143 0.000 -2.171) 3.820 5.970 ( 3.143 0.000 2.171) 3.820 6.284 ( 2.220 0.000 -5.113) 5.574 6.284 ( -2.220 0.000 5.113) 5.574 6.370 ( 0.750 0.000 -0.926) 1.191 6.370 ( -0.750 0.000 0.926) 1.191 6.449 ( -2.009 0.000 -1.595) 2.565 6.449 ( 2.009 0.000 1.595) 2.565 6.726 ( -6.837 0.000 -1.084) 6.923 6.726 ( 6.837 0.000 1.084) 6.923 6.841 ( -3.295 0.000 -1.653) 3.686 6.841 ( 3.295 0.000 1.653) 3.686 7.045 ( 1.576 0.000 -5.042) 5.283 7.045 ( -1.576 0.000 5.042) 5.283 7.124 ( -9.357 0.000 -0.233) 9.360 7.124 ( 9.357 0.000 0.233) 9.360 ======================= Grid point 100 (46/60) ======================= q-point: ( 0.14 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.619 ( 5.866 0.000 -18.322) 19.239 0.643 ( 8.867 0.000 -16.431) 18.671 0.901 ( 1.527 0.000 16.429) 16.500 1.056 ( 7.884 0.000 5.174) 9.430 1.101 ( 15.452 0.000 -10.633) 18.757 1.548 ( 4.893 0.000 6.951) 8.501 1.654 ( -3.218 0.000 -1.807) 3.691 1.694 ( 2.283 0.000 3.769) 4.407 1.800 ( -8.305 0.000 -3.952) 9.197 1.826 ( -1.617 0.000 1.107) 1.960 1.950 ( -8.041 0.000 -0.253) 8.045 2.025 ( 3.618 0.000 3.094) 4.760 2.074 ( 2.393 0.000 0.977) 2.585 2.097 ( -1.887 0.000 -0.680) 2.006 2.217 ( -2.071 0.000 -1.290) 2.440 2.229 ( 4.918 0.000 -1.277) 5.081 2.365 ( -3.375 0.000 -3.660) 4.979 2.390 ( 1.750 0.000 1.872) 2.562 2.447 ( -4.632 0.000 5.375) 7.096 2.516 ( 5.066 0.000 -4.618) 6.855 2.568 ( -0.852 0.000 0.268) 0.893 2.661 ( 2.480 0.000 3.435) 4.237 2.723 ( -2.800 0.000 0.681) 2.882 2.732 ( -1.314 0.000 -1.020) 1.664 2.821 ( -1.808 0.000 -0.395) 1.851 2.824 ( 0.160 0.000 1.478) 1.486 2.861 ( -4.929 0.000 2.670) 5.605 2.922 ( 1.911 0.000 -1.874) 2.677 2.934 ( 5.651 0.000 3.521) 6.658 3.001 ( -2.258 0.000 2.389) 3.287 3.047 ( -5.514 0.000 1.520) 5.720 3.090 ( -1.736 0.000 -1.920) 2.588 3.104 ( 2.018 0.000 -3.342) 3.904 3.125 ( 3.940 0.000 -2.089) 4.460 3.160 ( 1.054 0.000 1.838) 2.119 3.200 ( -1.424 0.000 1.738) 2.247 3.255 ( -3.522 0.000 -2.923) 4.577 3.276 ( 7.382 0.000 0.065) 7.382 3.295 ( -1.243 0.000 -4.817) 4.975 3.328 ( 0.096 0.000 0.446) 0.456 3.352 ( 3.604 0.000 -0.464) 3.634 3.404 ( 2.175 0.000 3.407) 4.042 3.423 ( -1.823 0.000 -1.271) 2.222 3.459 ( -0.666 0.000 0.421) 0.788 3.493 ( 1.241 0.000 1.900) 2.269 3.499 ( 1.878 0.000 -0.847) 2.061 3.564 ( -0.639 0.000 0.572) 0.857 3.567 ( -0.664 0.000 -3.409) 3.473 3.701 ( 1.206 0.000 -2.642) 2.904 3.728 ( 0.932 0.000 2.996) 3.137 3.847 ( -1.218 0.000 -0.752) 1.432 3.968 ( -1.889 0.000 -3.734) 4.185 3.998 ( 3.213 0.000 -1.335) 3.479 4.024 ( -5.307 0.000 2.825) 6.012 4.059 ( -0.140 0.000 -0.834) 0.846 4.117 ( -1.901 0.000 1.003) 2.149 4.140 ( 0.551 0.000 1.587) 1.680 4.150 ( -0.161 0.000 -1.654) 1.662 4.286 ( -1.736 0.000 2.054) 2.689 4.303 ( -1.036 0.000 -0.082) 1.039 4.386 ( 2.430 0.000 -1.562) 2.889 4.392 ( 0.129 0.000 0.694) 0.706 4.439 ( -1.625 0.000 1.333) 2.102 4.576 ( 1.872 0.000 -3.247) 3.748 4.605 ( 1.211 0.000 3.974) 4.154 4.645 ( 1.777 0.000 1.997) 2.673 4.664 ( -0.952 0.000 -3.642) 3.764 4.722 ( 2.042 0.000 3.439) 4.000 4.801 ( -0.580 0.000 0.188) 0.610 4.895 ( 1.101 0.000 5.724) 5.828 4.980 ( 0.485 0.000 -3.336) 3.372 5.057 ( -1.251 0.000 0.342) 1.297 5.141 ( -1.306 0.000 3.839) 4.056 5.157 ( -0.594 0.000 -0.747) 0.954 5.259 ( -4.274 0.000 -1.034) 4.397 5.275 ( -2.462 0.000 0.063) 2.463 5.342 ( -1.437 0.000 -2.888) 3.225 5.348 ( -2.735 0.000 0.719) 2.828 5.376 ( -0.657 0.000 0.568) 0.869 5.409 ( -0.661 0.000 3.090) 3.160 5.540 ( -4.743 0.000 -3.697) 6.014 5.555 ( -0.016 0.000 -0.731) 0.731 5.585 ( -0.067 0.000 -1.635) 1.637 5.625 ( -3.096 0.000 0.494) 3.135 5.679 ( -1.661 0.000 1.765) 2.424 5.711 ( -3.421 0.000 -1.753) 3.844 5.740 ( -1.355 0.000 -1.394) 1.945 5.777 ( 1.335 0.000 2.043) 2.440 5.792 ( -1.438 0.000 -0.483) 1.517 5.840 ( -2.699 0.000 -2.969) 4.013 5.855 ( 3.313 0.000 -2.782) 4.326 5.972 ( 1.371 0.000 1.321) 1.904 5.981 ( 2.475 0.000 0.801) 2.601 6.027 ( -0.606 0.000 0.782) 0.989 6.276 ( 1.949 0.000 -3.141) 3.697 6.286 ( -2.869 0.000 3.616) 4.616 6.306 ( -1.438 0.000 -4.944) 5.149 6.365 ( 0.070 0.000 1.709) 1.711 6.444 ( 0.407 0.000 1.138) 1.209 6.493 ( 0.689 0.000 0.593) 0.909 6.622 ( 0.742 0.000 -4.495) 4.556 6.777 ( -2.373 0.000 2.018) 3.115 6.795 ( -0.119 0.000 -1.071) 1.077 6.897 ( 3.546 0.000 -3.262) 4.818 7.047 ( 4.709 0.000 -4.658) 6.624 7.073 ( 0.961 0.000 3.611) 3.736 7.106 ( 2.838 0.000 3.063) 4.175 7.332 ( 7.107 0.000 6.525) 9.648 ======================= Grid point 101 (47/60) ======================= q-point: ( 0.29 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.665 ( 15.474 0.000 -7.087) 17.020 0.749 ( 16.462 0.000 -6.597) 17.735 1.136 ( 6.809 0.000 13.622) 15.229 1.272 ( 12.322 0.000 0.765) 12.345 1.350 ( 16.758 0.000 -0.994) 16.788 1.446 ( -10.323 0.000 -3.164) 10.797 1.583 ( -10.169 0.000 -2.522) 10.477 1.641 ( 4.531 0.000 -7.713) 8.946 1.792 ( -0.787 0.000 3.784) 3.864 1.824 ( -1.588 0.000 -2.348) 2.834 1.868 ( 0.288 0.000 0.456) 0.540 2.000 ( -4.784 0.000 -3.324) 5.825 2.016 ( -4.775 0.000 -5.720) 7.451 2.107 ( -0.588 0.000 1.390) 1.509 2.178 ( -2.412 0.000 5.074) 5.618 2.263 ( -2.645 0.000 -4.435) 5.164 2.317 ( 4.825 0.000 1.698) 5.115 2.416 ( -1.493 0.000 2.347) 2.782 2.491 ( 0.794 0.000 3.829) 3.910 2.512 ( -1.362 0.000 -5.538) 5.703 2.583 ( -2.191 0.000 5.884) 6.279 2.681 ( 3.056 0.000 -3.706) 4.803 2.702 ( -1.189 0.000 -0.768) 1.416 2.729 ( 1.304 0.000 5.902) 6.044 2.788 ( -3.094 0.000 1.870) 3.615 2.830 ( 2.701 0.000 3.183) 4.174 2.918 ( 0.610 0.000 3.206) 3.264 2.937 ( -4.986 0.000 -0.764) 5.044 2.964 ( 3.056 0.000 -0.688) 3.132 2.982 ( -1.893 0.000 -0.275) 1.913 2.999 ( -0.963 0.000 -3.041) 3.190 3.072 ( 0.585 0.000 2.351) 2.423 3.090 ( 2.286 0.000 -5.602) 6.051 3.153 ( 2.471 0.000 -1.656) 2.974 3.183 ( -0.801 0.000 -1.566) 1.759 3.211 ( 1.762 0.000 1.003) 2.027 3.253 ( 1.726 0.000 0.736) 1.876 3.256 ( 3.746 0.000 3.128) 4.881 3.328 ( -2.591 0.000 -2.568) 3.648 3.356 ( 1.171 0.000 0.303) 1.210 3.372 ( -2.216 0.000 -1.037) 2.446 3.381 ( 1.895 0.000 -3.182) 3.704 3.441 ( 2.023 0.000 1.037) 2.273 3.478 ( -0.073 0.000 -0.447) 0.453 3.495 ( 3.129 0.000 3.792) 4.916 3.537 ( 1.696 0.000 0.039) 1.697 3.564 ( 0.449 0.000 0.301) 0.541 3.584 ( 2.093 0.000 -0.380) 2.127 3.704 ( 2.204 0.000 -1.715) 2.793 3.773 ( -1.878 0.000 4.641) 5.006 3.839 ( -1.362 0.000 -0.100) 1.365 3.919 ( -0.075 0.000 -0.505) 0.511 3.930 ( -6.978 0.000 1.397) 7.116 3.993 ( -2.255 0.000 -5.248) 5.712 4.006 ( -2.517 0.000 -2.863) 3.812 4.056 ( -0.087 0.000 1.674) 1.676 4.150 ( 1.116 0.000 -0.778) 1.360 4.172 ( -0.867 0.000 0.020) 0.868 4.292 ( -0.940 0.000 2.588) 2.753 4.293 ( 0.266 0.000 -0.142) 0.302 4.401 ( -0.030 0.000 0.695) 0.696 4.423 ( 3.252 0.000 -1.993) 3.814 4.457 ( 0.726 0.000 2.535) 2.637 4.568 ( 0.810 0.000 -1.631) 1.821 4.631 ( 0.481 0.000 -0.607) 0.774 4.642 ( -2.102 0.000 0.011) 2.102 4.663 ( 0.410 0.000 2.187) 2.225 4.746 ( -0.885 0.000 0.275) 0.927 4.818 ( 0.761 0.000 2.581) 2.691 4.950 ( -1.035 0.000 0.191) 1.052 4.964 ( 1.436 0.000 -3.435) 3.723 5.060 ( 0.818 0.000 5.335) 5.397 5.129 ( -1.622 0.000 -0.734) 1.780 5.134 ( -6.183 0.000 -0.883) 6.246 5.177 ( -3.669 0.000 3.117) 4.815 5.230 ( -2.655 0.000 0.094) 2.656 5.255 ( -4.313 0.000 -1.488) 4.563 5.290 ( -1.464 0.000 -1.932) 2.424 5.387 ( -2.663 0.000 1.005) 2.846 5.422 ( -0.808 0.000 1.365) 1.586 5.492 ( 1.956 0.000 3.318) 3.852 5.542 ( -0.202 0.000 -1.115) 1.133 5.545 ( -2.993 0.000 1.044) 3.170 5.606 ( 1.798 0.000 -3.775) 4.181 5.614 ( -4.151 0.000 -1.336) 4.361 5.671 ( -0.714 0.000 1.384) 1.557 5.718 ( -0.722 0.000 -0.134) 0.735 5.753 ( -0.613 0.000 -2.200) 2.284 5.782 ( -1.505 0.000 -2.075) 2.563 5.813 ( -0.453 0.000 1.283) 1.361 5.873 ( 2.134 0.000 -1.982) 2.913 5.973 ( -2.122 0.000 0.840) 2.282 6.031 ( 1.871 0.000 1.190) 2.217 6.031 ( 1.493 0.000 0.413) 1.549 6.238 ( 0.954 0.000 -5.134) 5.222 6.274 ( -2.602 0.000 3.266) 4.176 6.324 ( 2.491 0.000 0.744) 2.600 6.405 ( 2.155 0.000 1.386) 2.562 6.468 ( 1.497 0.000 0.463) 1.567 6.479 ( -1.203 0.000 -1.434) 1.872 6.632 ( 3.727 0.000 -3.357) 5.016 6.740 ( -4.276 0.000 3.188) 5.334 6.817 ( 1.945 0.000 1.575) 2.503 6.913 ( 3.049 0.000 -4.540) 5.469 7.099 ( 5.906 0.000 -3.727) 6.984 7.122 ( 1.655 0.000 1.104) 1.990 7.206 ( 4.111 0.000 2.972) 5.073 7.419 ( -1.769 0.000 2.270) 2.878 ======================= Grid point 102 (48/60) ======================= q-point: ( 0.43 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.928 ( 16.450 0.000 1.302) 16.502 1.006 ( 15.399 0.000 0.003) 15.399 1.226 ( -12.877 0.000 -0.943) 12.911 1.279 ( -8.733 0.000 -4.166) 9.676 1.372 ( 6.145 0.000 8.775) 10.712 1.477 ( -4.294 0.000 4.101) 5.938 1.588 ( 7.325 0.000 -3.188) 7.989 1.615 ( 3.566 0.000 -10.388) 10.983 1.777 ( 1.512 0.000 -1.379) 2.047 1.797 ( 2.068 0.000 4.220) 4.700 1.838 ( -4.831 0.000 -1.684) 5.116 1.902 ( -3.298 0.000 -3.438) 4.764 1.984 ( 5.504 0.000 0.249) 5.509 2.073 ( -4.436 0.000 1.413) 4.655 2.191 ( -1.904 0.000 3.065) 3.608 2.197 ( 0.877 0.000 -4.710) 4.791 2.384 ( -3.008 0.000 1.267) 3.264 2.401 ( -0.310 0.000 -5.565) 5.573 2.437 ( 2.930 0.000 6.807) 7.411 2.532 ( -1.420 0.000 4.249) 4.480 2.622 ( 2.369 0.000 1.799) 2.975 2.640 ( -2.257 0.000 -2.669) 3.495 2.698 ( -4.588 0.000 -2.593) 5.270 2.738 ( -5.784 0.000 -3.099) 6.562 2.782 ( 6.333 0.000 1.607) 6.534 2.858 ( 2.326 0.000 -1.805) 2.945 2.909 ( -3.903 0.000 1.717) 4.264 2.912 ( -0.606 0.000 -0.171) 0.630 2.962 ( -0.223 0.000 4.723) 4.728 2.975 ( 1.201 0.000 -1.898) 2.246 3.065 ( 2.975 0.000 0.380) 2.999 3.077 ( -1.504 0.000 2.704) 3.094 3.087 ( 3.586 0.000 -2.104) 4.158 3.134 ( -0.291 0.000 -2.443) 2.460 3.206 ( 4.337 0.000 -1.133) 4.483 3.223 ( -1.012 0.000 -0.485) 1.123 3.245 ( -3.724 0.000 -0.653) 3.781 3.284 ( -4.440 0.000 0.535) 4.472 3.315 ( 2.989 0.000 0.287) 3.003 3.351 ( 0.629 0.000 0.130) 0.642 3.402 ( 5.515 0.000 2.291) 5.972 3.435 ( 3.393 0.000 0.588) 3.444 3.478 ( 1.456 0.000 1.971) 2.451 3.522 ( -0.946 0.000 -2.819) 2.973 3.531 ( -1.624 0.000 0.291) 1.649 3.542 ( -0.885 0.000 -1.855) 2.055 3.554 ( 3.642 0.000 0.128) 3.644 3.607 ( -0.672 0.000 2.243) 2.341 3.732 ( 3.115 0.000 -3.450) 4.648 3.749 ( -5.534 0.000 5.001) 7.459 3.814 ( -0.059 0.000 0.220) 0.228 3.848 ( -3.653 0.000 0.552) 3.694 3.919 ( -1.409 0.000 0.966) 1.708 3.923 ( -0.559 0.000 -2.211) 2.280 3.984 ( 2.505 0.000 0.245) 2.517 4.049 ( -1.940 0.000 -2.207) 2.939 4.151 ( -0.497 0.000 0.752) 0.902 4.157 ( 0.505 0.000 -0.924) 1.053 4.301 ( -0.078 0.000 0.925) 0.928 4.304 ( 0.150 0.000 0.522) 0.543 4.413 ( 0.716 0.000 1.254) 1.444 4.438 ( 0.998 0.000 -2.574) 2.761 4.504 ( 1.379 0.000 3.298) 3.575 4.577 ( -2.799 0.000 -3.423) 4.422 4.592 ( 3.001 0.000 0.107) 3.002 4.649 ( -2.787 0.000 0.224) 2.796 4.663 ( 2.251 0.000 1.374) 2.638 4.721 ( -2.518 0.000 -0.922) 2.682 4.877 ( 1.895 0.000 4.304) 4.702 4.928 ( -1.446 0.000 0.894) 1.700 4.956 ( 1.498 0.000 -2.613) 3.012 5.009 ( -3.677 0.000 -5.015) 6.219 5.077 ( -2.306 0.000 0.742) 2.422 5.090 ( -1.385 0.000 -1.495) 2.038 5.165 ( 0.892 0.000 3.306) 3.424 5.197 ( -1.599 0.000 0.592) 1.705 5.236 ( -2.204 0.000 4.308) 4.839 5.253 ( 0.519 0.000 -3.677) 3.713 5.372 ( -0.059 0.000 1.392) 1.393 5.402 ( -1.749 0.000 -0.695) 1.882 5.514 ( -0.064 0.000 -0.251) 0.259 5.525 ( -1.012 0.000 -0.433) 1.100 5.557 ( -0.606 0.000 2.089) 2.175 5.562 ( -0.192 0.000 -1.097) 1.114 5.621 ( 1.854 0.000 2.660) 3.243 5.686 ( -1.398 0.000 -3.111) 3.411 5.713 ( 1.436 0.000 3.568) 3.846 5.736 ( 1.573 0.000 -2.407) 2.876 5.740 ( -1.828 0.000 0.362) 1.864 5.785 ( -1.776 0.000 -2.429) 3.009 5.900 ( 1.781 0.000 0.610) 1.883 5.940 ( -2.378 0.000 0.141) 2.382 6.059 ( 0.969 0.000 0.065) 0.971 6.061 ( 0.345 0.000 0.746) 0.822 6.226 ( 2.500 0.000 -2.626) 3.626 6.255 ( -3.168 0.000 2.306) 3.918 6.373 ( 2.128 0.000 1.105) 2.398 6.417 ( -0.923 0.000 -2.136) 2.327 6.474 ( 1.140 0.000 1.472) 1.862 6.492 ( 0.700 0.000 -0.459) 0.837 6.663 ( 3.315 0.000 -2.319) 4.046 6.700 ( -3.806 0.000 2.359) 4.478 6.870 ( 0.887 0.000 3.317) 3.434 6.906 ( 1.374 0.000 -4.309) 4.523 7.149 ( 3.488 0.000 -2.880) 4.524 7.153 ( 0.044 0.000 1.835) 1.836 7.294 ( 3.314 0.000 2.065) 3.904 7.369 ( -3.461 0.000 -1.315) 3.703 ======================= Grid point 106 (49/60) ======================= q-point: ( 0.00 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 53 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.737 ( -1.157 -0.279 -16.647) 16.690 0.737 ( 1.157 -0.279 16.647) 16.690 0.826 ( 4.670 6.135 -14.420) 16.352 0.826 ( -4.670 6.135 14.420) 16.352 1.387 ( -3.653 10.957 -18.969) 22.209 1.387 ( 3.653 10.957 18.969) 22.209 1.610 ( -0.303 -4.910 -2.419) 5.482 1.610 ( 0.303 -4.910 2.419) 5.482 1.804 ( 3.128 -9.080 -4.788) 10.731 1.804 ( -3.128 -9.080 4.788) 10.731 1.976 ( -3.271 0.235 -3.597) 4.868 1.976 ( 3.271 0.235 3.597) 4.868 2.062 ( 2.817 -9.065 -3.015) 9.959 2.062 ( -2.817 -9.065 3.015) 9.959 2.150 ( -3.340 1.913 -0.815) 3.935 2.150 ( 3.340 1.913 0.815) 3.935 2.355 ( 1.073 -1.929 -2.602) 3.412 2.355 ( -1.073 -1.929 2.602) 3.412 2.505 ( -3.512 -1.391 -2.156) 4.349 2.505 ( 3.512 -1.391 2.156) 4.349 2.630 ( -0.323 3.552 -2.352) 4.272 2.630 ( 0.323 3.552 2.352) 4.272 2.727 ( 1.771 -1.977 -1.266) 2.941 2.727 ( -1.771 -1.977 1.266) 2.941 2.805 ( -2.694 -3.587 -1.393) 4.697 2.805 ( 2.694 -3.587 1.393) 4.697 2.847 ( -0.648 -1.204 -2.989) 3.287 2.847 ( 0.648 -1.204 2.989) 3.287 2.953 ( -4.281 -3.055 -0.988) 5.351 2.953 ( 4.281 -3.055 0.988) 5.351 3.020 ( 1.058 -3.113 -1.450) 3.594 3.020 ( -1.058 -3.113 1.450) 3.594 3.114 ( -2.015 -1.111 -1.455) 2.723 3.114 ( 2.015 -1.111 1.455) 2.723 3.167 ( 0.880 -1.311 -0.913) 1.824 3.167 ( -0.880 -1.311 0.913) 1.824 3.235 ( -2.320 1.393 -4.131) 4.938 3.235 ( 2.320 1.393 4.131) 4.938 3.334 ( -1.912 -1.000 -1.748) 2.777 3.334 ( 1.912 -1.000 1.748) 2.777 3.358 ( -0.940 0.450 -0.661) 1.234 3.358 ( 0.940 0.450 0.661) 1.234 3.445 ( -1.504 -0.517 -1.716) 2.340 3.445 ( 1.504 -0.517 1.716) 2.340 3.570 ( -0.962 5.528 -0.438) 5.628 3.570 ( 0.962 5.528 0.438) 5.628 3.585 ( 2.066 1.893 -0.998) 2.974 3.585 ( -2.066 1.893 0.998) 2.974 3.709 ( 0.865 0.729 -1.790) 2.118 3.709 ( -0.865 0.729 1.790) 2.118 3.916 ( -3.591 -0.946 -3.640) 5.199 3.916 ( 3.591 -0.946 3.640) 5.199 4.028 ( 2.320 -0.670 -2.638) 3.577 4.028 ( -2.320 -0.670 2.638) 3.577 4.087 ( 0.270 2.155 -2.297) 3.162 4.087 ( -0.270 2.155 2.297) 3.162 4.173 ( -0.264 1.510 -1.035) 1.850 4.173 ( 0.264 1.510 1.035) 1.850 4.288 ( -1.016 -1.723 -2.589) 3.271 4.288 ( 1.016 -1.723 2.589) 3.271 4.407 ( 0.865 1.438 -2.939) 3.384 4.407 ( -0.865 1.438 2.939) 3.384 4.473 ( -3.371 -2.118 -0.696) 4.041 4.473 ( 3.371 -2.118 0.696) 4.041 4.627 ( -0.514 2.287 -2.365) 3.330 4.627 ( 0.514 2.287 2.365) 3.330 4.665 ( -0.754 -1.660 -0.348) 1.856 4.665 ( 0.754 -1.660 0.348) 1.856 4.836 ( -1.085 0.529 -2.071) 2.397 4.836 ( 1.085 0.529 2.071) 2.397 5.041 ( -0.648 0.901 -2.729) 2.946 5.041 ( 0.648 0.901 2.729) 2.946 5.150 ( -0.767 -0.491 -1.384) 1.657 5.150 ( 0.767 -0.491 1.384) 1.657 5.303 ( 0.404 -0.367 -2.276) 2.340 5.303 ( -0.404 -0.367 2.276) 2.340 5.378 ( 0.040 2.260 -1.700) 2.828 5.378 ( -0.040 2.260 1.700) 2.828 5.413 ( 0.369 0.748 -0.442) 0.944 5.413 ( -0.369 0.748 0.442) 0.944 5.570 ( -0.186 0.460 -0.631) 0.803 5.570 ( 0.186 0.460 0.631) 0.803 5.654 ( -1.502 0.429 -0.842) 1.774 5.654 ( 1.502 0.429 0.842) 1.774 5.690 ( -3.473 -0.321 -1.565) 3.823 5.690 ( 3.473 -0.321 1.565) 3.823 5.756 ( -2.628 -0.868 -1.888) 3.350 5.756 ( 2.628 -0.868 1.888) 3.350 5.820 ( -1.286 0.130 -1.146) 1.728 5.820 ( 1.286 0.130 1.146) 1.728 5.922 ( -2.311 -1.099 -1.090) 2.781 5.922 ( 2.311 -1.099 1.090) 2.781 5.978 ( -2.460 0.438 -0.985) 2.686 5.978 ( 2.460 0.438 0.985) 2.686 6.322 ( 1.961 3.452 -4.931) 6.331 6.322 ( -1.961 3.452 4.931) 6.331 6.375 ( -1.373 0.043 -2.535) 2.883 6.375 ( 1.373 0.043 2.535) 2.883 6.470 ( -2.072 2.405 -2.010) 3.757 6.470 ( 2.072 2.405 2.010) 3.757 6.715 ( -7.190 -1.465 -1.112) 7.422 6.715 ( 7.190 -1.465 1.112) 7.422 6.835 ( -1.455 -0.122 -2.155) 2.603 6.835 ( 1.455 -0.122 2.155) 2.603 7.031 ( -0.651 -1.258 -1.620) 2.152 7.031 ( 0.651 -1.258 1.620) 2.152 7.094 ( -5.098 -2.265 -0.313) 5.587 7.094 ( 5.098 -2.265 0.313) 5.587 ======================= Grid point 108 (50/60) ======================= q-point: ( 0.14 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 99 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.640 ( 9.864 5.062 -12.380) 16.619 0.764 ( 7.223 10.310 -14.310) 19.059 0.945 ( 2.616 3.547 14.872) 15.512 1.034 ( 6.272 -0.917 16.392) 17.575 1.222 ( 11.350 11.072 -19.163) 24.872 1.548 ( 1.227 -1.589 2.483) 3.194 1.617 ( -0.101 -4.157 -0.787) 4.232 1.702 ( 3.739 0.697 2.862) 4.760 1.739 ( -3.212 -3.471 -4.932) 6.833 1.813 ( 0.869 -7.343 1.877) 7.629 1.916 ( -6.634 2.065 2.547) 7.400 1.979 ( 0.764 -5.926 -1.347) 6.125 2.048 ( -1.124 -5.965 -2.706) 6.646 2.063 ( 1.316 -1.837 2.705) 3.525 2.171 ( 3.110 -0.032 1.428) 3.423 2.215 ( -0.707 -1.198 2.374) 2.751 2.300 ( -2.761 -2.719 3.517) 5.233 2.398 ( -0.292 -2.349 2.531) 3.466 2.432 ( 0.424 -2.094 -3.932) 4.475 2.519 ( 1.351 1.481 -5.337) 5.701 2.609 ( -4.021 2.042 1.666) 4.808 2.646 ( 0.059 -2.145 2.162) 3.046 2.702 ( -1.395 -1.756 -0.425) 2.283 2.738 ( -0.586 0.242 -0.226) 0.673 2.794 ( -0.109 -2.280 2.269) 3.218 2.833 ( 0.470 -1.952 -0.611) 2.098 2.849 ( -4.268 0.856 1.615) 4.643 2.878 ( 0.746 -2.652 -1.299) 3.046 2.894 ( 3.850 -4.793 5.009) 7.930 2.996 ( -0.630 -1.795 0.270) 1.921 3.010 ( -0.907 -0.774 3.081) 3.304 3.055 ( -0.135 -4.032 0.806) 4.114 3.074 ( 0.150 -2.182 -0.785) 2.324 3.113 ( -2.768 -1.196 -2.266) 3.772 3.132 ( 0.788 -1.035 -3.684) 3.907 3.169 ( 1.368 -1.295 -1.504) 2.410 3.233 ( 2.462 -2.356 0.582) 3.457 3.277 ( 0.820 -0.685 -3.822) 3.969 3.303 ( -1.633 0.243 0.497) 1.724 3.328 ( 1.663 -1.682 0.408) 2.400 3.358 ( 0.515 -2.940 -0.799) 3.090 3.387 ( 1.723 4.432 0.259) 4.763 3.430 ( -0.132 -0.155 0.116) 0.234 3.483 ( 0.976 3.723 0.305) 3.861 3.544 ( -1.534 3.533 0.484) 3.882 3.557 ( -0.810 0.153 -0.087) 0.829 3.584 ( 0.294 2.943 0.145) 2.961 3.613 ( 1.201 4.586 0.289) 4.749 3.718 ( 1.750 2.030 -1.412) 3.029 3.738 ( 1.149 1.056 2.517) 2.961 3.846 ( -0.526 0.089 -1.751) 1.831 3.960 ( -0.478 0.231 -0.521) 0.744 4.015 ( -3.776 -0.947 1.504) 4.174 4.034 ( -1.444 -0.101 -0.480) 1.525 4.076 ( 1.375 0.370 -1.007) 1.744 4.105 ( 1.286 1.258 1.868) 2.593 4.128 ( -2.853 0.741 -2.105) 3.622 4.179 ( 0.377 1.815 -0.295) 1.877 4.224 ( -2.576 -2.290 -2.192) 4.085 4.312 ( -0.647 -2.658 1.741) 3.243 4.399 ( 0.259 1.293 -0.646) 1.468 4.415 ( 1.192 2.257 -0.282) 2.568 4.439 ( -1.037 0.128 1.833) 2.110 4.529 ( 2.186 -2.919 -0.986) 3.778 4.588 ( -1.152 -3.012 -0.301) 3.239 4.656 ( 0.548 2.144 2.195) 3.117 4.676 ( 0.452 -0.527 -0.562) 0.893 4.719 ( 3.467 0.563 0.914) 3.629 4.795 ( -1.307 -0.771 -0.345) 1.556 4.878 ( 1.424 -0.468 1.381) 2.038 5.018 ( 0.191 0.630 0.179) 0.682 5.054 ( -1.429 1.145 -0.697) 1.960 5.118 ( -2.493 -1.158 0.621) 2.818 5.177 ( -0.519 1.274 3.284) 3.560 5.251 ( -3.585 -0.655 -0.036) 3.645 5.303 ( -1.303 2.058 -0.469) 2.481 5.355 ( -2.830 1.266 -2.120) 3.756 5.365 ( -0.209 -0.335 0.685) 0.790 5.373 ( -4.444 1.647 0.263) 4.747 5.430 ( 0.230 1.366 3.472) 3.738 5.539 ( -2.336 -0.113 -0.905) 2.507 5.568 ( 0.070 1.326 -1.288) 1.850 5.593 ( -3.361 1.356 -2.269) 4.276 5.607 ( -2.828 -1.263 -1.459) 3.424 5.675 ( -1.094 -1.199 0.654) 1.750 5.706 ( -0.443 1.770 -0.283) 1.846 5.747 ( -0.437 -0.602 -0.307) 0.805 5.777 ( 0.692 -0.262 0.273) 0.789 5.815 ( -1.388 1.231 1.689) 2.509 5.827 ( -1.455 -1.475 -0.726) 2.195 5.853 ( 0.052 0.459 -1.589) 1.655 5.976 ( 3.532 -0.180 0.078) 3.537 5.986 ( 1.786 0.751 0.859) 2.120 6.037 ( 0.690 0.255 0.868) 1.138 6.287 ( -1.986 2.782 -1.619) 3.782 6.314 ( -1.024 0.909 -3.492) 3.751 6.340 ( 0.064 3.557 0.815) 3.650 6.399 ( -1.118 2.968 2.115) 3.812 6.443 ( 0.510 -0.013 0.819) 0.965 6.508 ( 0.258 1.656 0.398) 1.723 6.617 ( 0.825 -0.564 -3.624) 3.759 6.776 ( -2.962 -0.307 0.161) 2.982 6.811 ( 2.015 0.616 0.156) 2.113 6.849 ( 1.976 -2.399 -1.639) 3.514 7.049 ( 2.755 -0.715 0.096) 2.848 7.066 ( 2.123 -0.348 -1.362) 2.546 7.093 ( 3.079 -1.155 3.132) 4.541 7.241 ( 8.354 -7.200 1.553) 11.138 ======================= Grid point 109 (51/60) ======================= q-point: ( 0.29 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 99 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.787 ( 13.461 11.311 -5.332) 18.373 0.802 ( 14.143 5.771 -7.132) 16.858 1.162 ( 5.971 1.766 10.913) 12.565 1.267 ( 4.081 0.121 9.883) 10.694 1.388 ( 19.146 4.446 -6.039) 20.562 1.467 ( -6.686 1.153 -2.648) 7.283 1.574 ( -7.266 -1.675 -3.956) 8.441 1.640 ( 3.517 0.119 -3.769) 5.156 1.779 ( -1.172 -0.451 3.024) 3.274 1.810 ( 0.765 -2.782 -2.765) 3.996 1.855 ( -0.708 -0.715 -2.099) 2.327 1.977 ( -1.220 -3.852 -5.233) 6.611 2.018 ( 2.754 -4.957 -0.412) 5.685 2.063 ( -3.801 2.317 -1.470) 4.688 2.140 ( -4.725 -1.855 2.922) 5.857 2.249 ( -0.013 -2.509 2.640) 3.642 2.296 ( 0.665 -0.851 -0.799) 1.343 2.416 ( -0.462 -2.731 2.324) 3.616 2.462 ( -0.674 -0.421 -4.486) 4.555 2.499 ( 2.137 -1.594 1.574) 3.096 2.574 ( -2.978 -2.660 4.303) 5.870 2.656 ( 2.114 -1.892 -4.197) 5.066 2.671 ( -0.034 -3.848 0.760) 3.923 2.719 ( -4.062 0.401 2.121) 4.599 2.774 ( -1.666 -1.580 4.577) 5.121 2.824 ( 0.941 -0.609 1.581) 1.938 2.876 ( -0.534 -3.969 1.151) 4.167 2.890 ( 1.354 -5.939 -0.708) 6.132 2.935 ( -4.200 0.623 1.037) 4.371 2.983 ( -1.756 -2.098 0.129) 2.739 3.020 ( -2.098 -0.847 -0.616) 2.344 3.053 ( 3.448 -0.157 0.010) 3.452 3.077 ( 1.170 -0.427 -3.290) 3.518 3.096 ( 0.632 -2.784 4.548) 5.370 3.140 ( 5.985 -1.556 -2.578) 6.699 3.199 ( 2.716 -0.544 -1.659) 3.229 3.216 ( -0.934 -0.732 0.766) 1.412 3.283 ( -0.380 -3.219 -1.302) 3.493 3.301 ( 0.271 -1.913 -1.499) 2.445 3.323 ( 2.040 -2.260 -2.350) 3.846 3.399 ( 0.656 -1.345 1.837) 2.369 3.403 ( -0.003 2.047 -0.014) 2.047 3.445 ( 2.408 3.293 2.336) 4.701 3.491 ( -0.698 1.931 -1.725) 2.682 3.531 ( 0.541 2.896 2.304) 3.740 3.554 ( 0.142 0.134 -0.959) 0.979 3.591 ( -0.480 1.375 0.961) 1.745 3.621 ( -0.556 2.603 -0.824) 2.786 3.725 ( 2.071 2.506 -2.637) 4.186 3.786 ( -0.159 1.847 4.018) 4.425 3.851 ( 0.437 0.617 1.645) 1.810 3.931 ( -5.787 -0.117 1.754) 6.048 3.948 ( -2.130 2.303 -0.964) 3.282 3.990 ( -0.700 -0.923 -0.940) 1.492 4.039 ( -1.415 4.022 -4.735) 6.372 4.072 ( -0.551 1.577 -0.395) 1.717 4.138 ( -0.961 -0.332 0.509) 1.137 4.174 ( 0.414 -0.566 -1.303) 1.480 4.204 ( 0.388 -3.107 0.060) 3.131 4.308 ( -1.078 -3.484 0.657) 3.706 4.398 ( 0.019 1.152 0.523) 1.265 4.434 ( 0.921 0.699 -0.404) 1.225 4.473 ( 2.296 1.154 1.727) 3.096 4.533 ( 0.700 -4.390 -1.337) 4.642 4.583 ( 0.722 -1.466 -0.385) 1.679 4.657 ( -1.804 -0.559 1.044) 2.158 4.698 ( 1.407 2.038 0.428) 2.513 4.747 ( -0.800 1.291 1.076) 1.861 4.824 ( 2.435 -0.532 2.161) 3.299 4.877 ( -0.854 -3.627 -2.058) 4.256 5.008 ( -2.087 0.324 -1.781) 2.763 5.038 ( -1.344 -0.478 1.644) 2.177 5.084 ( -0.198 0.173 2.360) 2.374 5.177 ( -4.502 1.255 -0.000) 4.673 5.194 ( -2.175 1.563 2.674) 3.785 5.246 ( -2.991 1.043 -2.250) 3.886 5.283 ( -3.324 1.868 -2.620) 4.627 5.305 ( -2.592 2.310 -0.006) 3.471 5.398 ( 1.102 -1.275 3.068) 3.500 5.421 ( -3.240 1.513 1.287) 3.800 5.516 ( -0.875 1.231 2.441) 2.870 5.537 ( -2.580 -0.524 1.505) 3.033 5.557 ( -0.589 1.134 -0.364) 1.329 5.572 ( 1.340 -0.599 -3.511) 3.805 5.648 ( -2.614 -0.907 0.879) 2.903 5.679 ( -1.729 2.075 -1.652) 3.166 5.722 ( 0.606 -0.060 -2.001) 2.091 5.759 ( -2.685 0.195 -0.525) 2.743 5.788 ( -0.849 0.426 -1.288) 1.600 5.811 ( -0.648 0.084 1.921) 2.029 5.887 ( 2.407 1.485 -0.285) 2.842 5.991 ( -1.565 1.459 -0.884) 2.315 6.036 ( 1.548 0.720 1.012) 1.985 6.042 ( 1.773 0.608 0.600) 1.968 6.244 ( -0.175 1.099 -2.356) 2.605 6.285 ( -0.961 1.554 0.326) 1.856 6.359 ( 1.035 2.651 1.118) 3.058 6.424 ( 1.406 1.989 1.658) 2.946 6.472 ( 1.928 0.502 -0.012) 1.993 6.492 ( -0.985 1.140 -1.488) 2.118 6.638 ( 3.664 0.165 -2.435) 4.402 6.738 ( -3.318 -0.465 2.357) 4.096 6.829 ( 0.473 1.603 1.924) 2.549 6.879 ( 3.599 -2.519 -3.801) 5.809 7.096 ( 2.707 -1.780 -0.243) 3.249 7.099 ( 4.014 -0.832 -2.757) 4.940 7.190 ( 3.793 -1.592 2.877) 5.020 7.340 ( 1.495 -6.732 0.687) 6.930 ======================= Grid point 110 (52/60) ======================= q-point: ( 0.43 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 99 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.978 ( 14.169 4.287 -0.998) 14.837 1.045 ( 13.841 4.986 0.421) 14.718 1.219 ( -8.421 -1.004 -0.806) 8.519 1.290 ( -9.487 2.518 -1.409) 9.916 1.408 ( 4.906 3.159 5.208) 7.821 1.498 ( -2.848 1.913 3.605) 4.976 1.596 ( 4.512 0.802 0.419) 4.602 1.645 ( 1.586 2.351 -7.275) 7.809 1.755 ( 4.648 -1.367 -2.197) 5.320 1.809 ( -1.025 0.275 1.957) 2.226 1.820 ( -1.355 -1.530 -1.271) 2.407 1.906 ( -3.206 0.822 -3.165) 4.579 2.002 ( 2.684 1.149 -0.374) 2.943 2.065 ( -1.031 -1.094 -0.127) 1.509 2.134 ( 1.729 -3.717 1.916) 4.525 2.214 ( -2.974 -0.462 -2.187) 3.720 2.323 ( 0.682 -3.494 1.741) 3.963 2.361 ( -1.246 -2.558 -4.108) 4.997 2.473 ( 3.043 0.432 2.910) 4.232 2.540 ( -1.857 -0.248 5.157) 5.486 2.572 ( 0.747 -5.492 -0.226) 5.547 2.633 ( 0.701 -1.054 -2.499) 2.801 2.675 ( -4.010 -1.889 0.523) 4.464 2.734 ( 0.476 -3.014 -1.166) 3.267 2.745 ( -1.326 -1.057 -0.234) 1.711 2.807 ( -2.521 -6.345 1.801) 7.061 2.830 ( -1.313 -2.290 -0.477) 2.682 2.889 ( -1.665 -0.407 -4.163) 4.502 2.942 ( 1.992 -7.650 0.655) 7.932 2.958 ( -1.021 -3.922 1.794) 4.432 3.014 ( 2.443 1.384 1.545) 3.205 3.084 ( -0.087 0.560 2.525) 2.587 3.088 ( 1.883 0.278 -2.256) 2.951 3.100 ( -3.034 -1.383 -1.175) 3.535 3.201 ( -0.437 -2.276 1.898) 2.996 3.212 ( 0.957 -0.007 -2.318) 2.507 3.254 ( 4.352 0.718 1.178) 4.566 3.309 ( 0.421 -2.847 0.197) 2.884 3.325 ( 3.622 -2.127 0.060) 4.201 3.330 ( 3.348 0.414 1.334) 3.627 3.389 ( -1.956 0.941 -1.717) 2.768 3.421 ( 0.453 -1.065 1.820) 2.156 3.451 ( -0.924 -0.571 -1.932) 2.216 3.482 ( -3.590 -1.241 -0.067) 3.799 3.545 ( 1.338 0.911 0.064) 1.620 3.561 ( 0.783 1.259 0.057) 1.483 3.594 ( -0.361 1.064 -0.200) 1.141 3.598 ( 0.134 -0.342 1.252) 1.305 3.758 ( 3.711 3.055 -1.696) 5.097 3.792 ( -2.504 3.184 2.084) 4.555 3.860 ( -2.582 1.004 0.565) 2.827 3.871 ( -2.464 4.455 1.335) 5.263 3.912 ( 0.131 0.268 2.404) 2.422 3.962 ( -0.861 2.909 -3.877) 4.923 4.020 ( 1.832 3.207 0.356) 3.710 4.063 ( -0.845 1.400 -1.558) 2.259 4.120 ( -0.131 -2.001 0.624) 2.100 4.147 ( -1.121 -1.002 -1.688) 2.261 4.234 ( 2.143 -3.687 1.277) 4.452 4.283 ( -1.926 -3.190 -0.752) 3.801 4.415 ( 1.034 0.290 0.735) 1.301 4.436 ( -0.242 -0.268 -0.672) 0.763 4.524 ( 1.409 -0.060 1.436) 2.012 4.540 ( 0.779 -3.991 -0.636) 4.116 4.607 ( 2.604 0.509 -0.275) 2.668 4.640 ( -1.813 0.128 1.508) 2.362 4.693 ( -0.370 2.165 -0.244) 2.210 4.726 ( -2.578 2.443 -1.517) 3.862 4.852 ( 0.647 -1.981 0.941) 2.287 4.872 ( -0.562 -4.320 0.544) 4.390 4.972 ( 0.868 0.549 0.185) 1.043 5.019 ( -1.387 1.494 -1.313) 2.425 5.103 ( -1.629 2.430 1.384) 3.236 5.127 ( -2.620 1.989 -2.116) 3.911 5.157 ( 1.443 0.211 2.287) 2.713 5.206 ( -1.928 0.405 -0.030) 1.970 5.236 ( 0.135 0.596 -1.672) 1.780 5.252 ( -2.744 0.830 -0.001) 2.867 5.416 ( 0.326 2.765 1.901) 3.371 5.438 ( 0.061 2.208 0.832) 2.360 5.503 ( -1.078 -0.878 1.274) 1.886 5.530 ( -1.032 -0.072 -0.308) 1.079 5.543 ( -1.777 0.001 2.324) 2.926 5.550 ( 0.723 -0.858 -2.990) 3.194 5.634 ( -0.568 0.180 2.166) 2.246 5.653 ( 0.570 -1.692 -2.573) 3.132 5.718 ( 0.327 -0.100 0.032) 0.343 5.731 ( -0.287 -0.375 -1.078) 1.177 5.768 ( -0.043 1.899 0.348) 1.931 5.795 ( -1.617 0.876 -0.767) 1.992 5.922 ( 2.006 1.985 0.075) 2.824 5.955 ( -2.009 1.370 0.270) 2.447 6.064 ( 0.734 0.443 0.459) 0.973 6.069 ( 0.394 0.622 0.232) 0.772 6.238 ( 1.687 1.428 -0.834) 2.363 6.269 ( -2.153 1.483 0.842) 2.747 6.394 ( 1.525 1.903 1.300) 2.764 6.433 ( -0.701 1.592 -2.283) 2.870 6.483 ( 0.963 1.002 1.443) 2.004 6.499 ( 0.841 0.787 -0.648) 1.322 6.672 ( 2.950 0.486 -1.776) 3.477 6.705 ( -3.124 0.139 1.853) 3.635 6.864 ( 0.123 -0.088 3.057) 3.061 6.886 ( 1.731 -1.368 -3.699) 4.306 7.129 ( 0.500 -2.203 1.479) 2.700 7.134 ( 2.669 -1.567 -2.776) 4.157 7.271 ( 2.857 -2.298 1.842) 4.103 7.327 ( -1.887 -3.896 -1.092) 4.464 ======================= Grid point 114 (53/60) ======================= q-point: ( 0.00 0.29 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 53 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.790 ( -0.122 6.747 -8.650) 10.971 0.790 ( 0.122 6.747 8.650) 10.971 1.001 ( 2.624 9.532 -10.319) 14.291 1.001 ( -2.624 9.532 10.319) 14.291 1.456 ( -2.137 -5.920 -1.665) 6.510 1.456 ( 2.137 -5.920 1.665) 6.510 1.568 ( -5.142 -3.594 -3.913) 7.394 1.568 ( 5.142 -3.594 3.913) 7.394 1.656 ( -1.468 -0.728 -5.113) 5.369 1.656 ( 1.468 -0.728 5.113) 5.369 1.870 ( -1.215 -8.645 -3.628) 9.454 1.870 ( 1.215 -8.645 3.628) 9.454 1.955 ( -2.035 -2.520 -4.492) 5.538 1.955 ( 2.035 -2.520 4.492) 5.538 2.234 ( -1.395 6.397 -3.479) 7.414 2.234 ( 1.395 6.397 3.479) 7.414 2.331 ( 2.636 -0.138 -3.829) 4.650 2.331 ( -2.636 -0.138 3.829) 4.650 2.474 ( -5.220 -0.618 -6.321) 8.221 2.474 ( 5.220 -0.618 6.321) 8.221 2.637 ( -0.094 -3.780 -1.443) 4.047 2.637 ( 0.094 -3.780 1.443) 4.047 2.696 ( 0.855 -1.839 -1.621) 2.597 2.696 ( -0.855 -1.839 1.621) 2.597 2.719 ( -1.723 -2.875 -2.115) 3.963 2.719 ( 1.723 -2.875 2.115) 3.963 2.804 ( -0.273 -4.460 -5.457) 7.053 2.804 ( 0.273 -4.460 5.457) 7.053 2.920 ( -1.706 -0.056 -0.288) 1.731 2.920 ( 1.706 -0.056 0.288) 1.731 2.973 ( -2.804 -0.910 -1.087) 3.142 2.973 ( 2.804 -0.910 1.087) 3.142 3.079 ( -1.322 -1.328 -1.376) 2.325 3.079 ( 1.322 -1.328 1.376) 2.325 3.157 ( 1.137 -0.154 -1.351) 1.772 3.157 ( -1.137 -0.154 1.351) 1.772 3.268 ( -2.683 -0.971 -2.707) 3.933 3.268 ( 2.683 -0.971 2.707) 3.933 3.296 ( 0.271 -0.343 -3.312) 3.341 3.296 ( -0.271 -0.343 3.312) 3.341 3.373 ( -4.688 -0.120 -4.476) 6.483 3.373 ( 4.688 -0.120 4.476) 6.483 3.436 ( -0.990 0.899 -0.801) 1.558 3.436 ( 0.990 0.899 0.801) 1.558 3.593 ( -2.002 0.734 -1.302) 2.498 3.593 ( 2.002 0.734 1.302) 2.498 3.663 ( -0.125 1.215 -1.664) 2.064 3.663 ( 0.125 1.215 1.664) 2.064 3.745 ( 1.076 2.768 -2.320) 3.769 3.745 ( -1.076 2.768 2.320) 3.769 3.911 ( -1.776 0.798 -3.038) 3.609 3.911 ( 1.776 0.798 3.038) 3.609 4.016 ( 1.391 -0.796 -1.888) 2.477 4.016 ( -1.391 -0.796 1.888) 2.477 4.099 ( -0.747 -0.410 -0.203) 0.876 4.099 ( 0.747 -0.410 0.203) 0.876 4.195 ( 0.606 -0.150 -0.945) 1.133 4.195 ( -0.606 -0.150 0.945) 1.133 4.282 ( -1.220 1.183 -0.594) 1.800 4.282 ( 1.220 1.183 0.594) 1.800 4.407 ( 0.506 -1.021 -3.576) 3.753 4.407 ( -0.506 -1.021 3.576) 3.753 4.447 ( -0.989 -0.903 -2.014) 2.419 4.447 ( 0.989 -0.903 2.014) 2.419 4.590 ( -0.397 -2.553 -0.868) 2.725 4.590 ( 0.397 -2.553 0.868) 2.725 4.709 ( 1.209 2.930 -2.985) 4.354 4.709 ( -1.209 2.930 2.985) 4.354 4.857 ( -1.018 1.430 -2.238) 2.844 4.857 ( 1.018 1.430 2.238) 2.844 5.036 ( -1.089 -1.008 -3.499) 3.801 5.036 ( 1.089 -1.008 3.499) 3.801 5.148 ( -2.075 -0.310 -2.635) 3.368 5.148 ( 2.075 -0.310 2.635) 3.368 5.293 ( -0.760 -0.160 -3.351) 3.440 5.293 ( 0.760 -0.160 3.351) 3.440 5.410 ( 0.206 0.791 -3.830) 3.916 5.410 ( -0.206 0.791 3.830) 3.916 5.441 ( -0.196 1.968 -1.014) 2.223 5.441 ( 0.196 1.968 1.014) 2.223 5.580 ( -1.409 0.752 -0.440) 1.657 5.580 ( 1.409 0.752 0.440) 1.657 5.655 ( -0.422 -0.499 -1.037) 1.226 5.655 ( 0.422 -0.499 1.037) 1.226 5.699 ( -1.444 1.229 -2.756) 3.346 5.699 ( 1.444 1.229 2.756) 3.346 5.760 ( -1.255 0.746 -0.738) 1.636 5.760 ( 1.255 0.746 0.738) 1.636 5.815 ( -1.562 -0.475 -0.950) 1.889 5.815 ( 1.562 -0.475 0.950) 1.889 5.889 ( -3.424 -2.264 -0.664) 4.158 5.889 ( 3.424 -2.264 0.664) 4.158 5.984 ( -0.427 0.332 -0.964) 1.105 5.984 ( 0.427 0.332 0.964) 1.105 6.366 ( -1.099 -0.603 -1.695) 2.108 6.366 ( 1.099 -0.603 1.695) 2.108 6.395 ( 1.727 3.566 -4.188) 5.766 6.395 ( -1.727 3.566 4.188) 5.766 6.526 ( -1.345 2.535 -1.880) 3.430 6.526 ( 1.345 2.535 1.880) 3.430 6.677 ( -3.877 -1.688 -1.088) 4.366 6.677 ( 3.877 -1.688 1.088) 4.366 6.850 ( -1.651 1.561 -2.170) 3.142 6.850 ( 1.651 1.561 2.170) 3.142 7.007 ( 2.379 -1.037 -2.335) 3.491 7.007 ( -2.379 -1.037 2.335) 3.491 7.054 ( 0.545 -1.853 -2.093) 2.848 7.054 ( -0.545 -1.853 2.093) 2.848 ======================= Grid point 116 (54/60) ======================= q-point: ( 0.14 0.29 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 99 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.820 ( 9.341 12.447 -3.214) 15.891 0.968 ( 6.061 3.103 9.248) 11.484 0.997 ( 8.415 11.006 -6.975) 15.511 1.123 ( 4.056 7.178 10.341) 13.226 1.413 ( 2.928 5.118 -11.160) 12.622 1.463 ( 2.233 -5.633 0.908) 6.127 1.520 ( 0.849 -4.676 -1.608) 5.018 1.613 ( 1.877 -8.327 -3.601) 9.264 1.656 ( 3.928 -5.682 1.557) 7.081 1.727 ( 2.279 -1.857 -1.252) 3.196 1.831 ( 0.815 -7.887 -2.117) 8.206 1.906 ( -0.398 -2.532 -0.436) 2.599 1.938 ( 1.266 -5.144 0.237) 5.303 2.037 ( 0.309 -2.694 5.428) 6.068 2.178 ( -1.477 4.434 1.036) 4.787 2.267 ( -2.992 4.522 2.764) 6.086 2.287 ( -3.058 -0.447 -0.684) 3.165 2.357 ( -1.047 -2.467 -2.118) 3.416 2.382 ( 2.650 1.315 3.338) 4.460 2.546 ( -2.058 -1.583 -0.664) 2.680 2.579 ( -4.336 -2.572 -2.546) 5.648 2.608 ( -3.919 -1.498 0.607) 4.239 2.656 ( 1.372 -3.189 -3.088) 4.646 2.723 ( -0.427 -1.330 0.585) 1.514 2.747 ( 1.832 -4.102 -0.874) 4.576 2.763 ( 2.689 -4.271 4.978) 7.088 2.794 ( 0.451 -2.975 1.614) 3.414 2.860 ( -0.314 -0.061 0.641) 0.717 2.873 ( -3.245 0.412 1.060) 3.438 2.937 ( -1.176 -4.355 1.754) 4.840 2.964 ( 3.631 -1.437 -0.120) 3.906 3.011 ( -2.596 -1.613 0.258) 3.067 3.053 ( 2.867 -0.175 0.992) 3.039 3.078 ( -1.887 -1.676 -2.027) 3.237 3.107 ( -2.096 1.085 2.003) 3.096 3.192 ( 1.319 1.482 -1.974) 2.799 3.210 ( -0.547 -0.686 0.378) 0.956 3.261 ( 1.050 -3.948 -3.781) 5.566 3.270 ( 1.058 -1.104 -3.185) 3.533 3.306 ( -0.687 -1.066 0.843) 1.523 3.339 ( 1.606 1.479 -2.413) 3.254 3.420 ( -0.862 0.079 0.316) 0.921 3.453 ( 0.918 2.366 1.981) 3.220 3.505 ( 2.622 -1.089 1.693) 3.306 3.555 ( -1.153 -0.004 -0.530) 1.269 3.621 ( -1.673 3.345 1.264) 3.948 3.637 ( -0.866 1.526 0.761) 1.912 3.664 ( -0.293 0.572 0.060) 0.645 3.753 ( 1.836 0.717 -0.123) 1.975 3.774 ( 1.273 3.121 1.891) 3.865 3.866 ( 0.145 2.039 -3.050) 3.671 3.960 ( 0.057 -0.419 0.806) 0.910 4.000 ( -1.944 -0.727 0.877) 2.253 4.005 ( -1.054 -1.465 -0.236) 1.820 4.072 ( -0.854 0.449 1.660) 1.920 4.124 ( 0.627 -0.027 1.163) 1.321 4.173 ( -0.344 2.038 -3.102) 3.728 4.177 ( -1.175 -1.308 -2.021) 2.679 4.238 ( -2.511 1.170 0.345) 2.792 4.274 ( -0.991 1.203 -1.193) 1.963 4.414 ( 0.789 -0.090 -0.974) 1.257 4.424 ( 1.847 -1.731 -0.143) 2.536 4.447 ( 0.640 0.033 0.723) 0.966 4.480 ( -0.794 -1.455 2.039) 2.627 4.540 ( -2.173 -1.819 0.359) 2.856 4.609 ( 0.565 -3.906 0.411) 3.968 4.714 ( 2.096 2.096 -2.070) 3.615 4.743 ( 1.976 1.745 0.922) 2.793 4.808 ( -1.332 1.709 -2.088) 3.009 4.863 ( -0.434 -0.806 -0.996) 1.353 5.020 ( 0.258 0.469 0.970) 1.108 5.079 ( -0.588 -0.982 1.790) 2.125 5.085 ( -1.754 -0.499 -1.505) 2.364 5.200 ( 0.307 0.515 3.038) 3.096 5.254 ( -1.386 1.650 0.346) 2.182 5.340 ( 0.547 0.719 0.572) 1.070 5.351 ( -2.689 0.191 -1.722) 3.198 5.381 ( -4.521 1.214 0.279) 4.689 5.413 ( -3.680 1.363 -0.174) 3.928 5.444 ( -1.130 0.064 4.464) 4.605 5.546 ( -3.112 0.509 0.629) 3.215 5.570 ( -2.312 -0.720 -0.869) 2.573 5.598 ( -1.435 1.172 0.242) 1.868 5.634 ( -2.052 1.909 -4.139) 4.999 5.671 ( -0.419 0.369 -0.615) 0.830 5.725 ( -0.273 -0.288 -0.962) 1.040 5.746 ( -1.030 0.753 -0.023) 1.276 5.774 ( 0.126 -0.234 -0.207) 0.337 5.797 ( -0.433 -0.858 0.258) 0.995 5.825 ( -1.476 -0.081 1.210) 1.910 5.857 ( 1.203 0.108 1.022) 1.582 5.958 ( 4.230 -1.917 -0.188) 4.648 6.001 ( 2.260 0.656 0.050) 2.354 6.029 ( 1.987 -0.495 1.128) 2.338 6.328 ( 0.172 0.912 -3.101) 3.237 6.365 ( -1.537 3.423 -0.837) 3.845 6.399 ( 0.234 1.867 -0.198) 1.892 6.431 ( 2.349 1.168 0.994) 2.805 6.479 ( -3.328 3.325 1.922) 5.082 6.554 ( -1.408 2.936 0.153) 3.260 6.598 ( 0.282 -1.466 -1.034) 1.816 6.717 ( 0.155 -4.065 -0.940) 4.175 6.835 ( 1.985 2.895 -0.298) 3.523 6.879 ( -0.417 3.154 1.244) 3.416 7.022 ( 0.909 -1.561 1.130) 2.131 7.053 ( 3.003 -1.398 -3.141) 4.565 7.064 ( 3.155 -1.890 2.634) 4.523 7.121 ( 6.724 -4.749 -1.279) 8.331 ======================= Grid point 117 (55/60) ======================= q-point: ( 0.29 0.29 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 99 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.960 ( 9.858 10.379 -4.186) 14.914 1.052 ( 8.910 14.703 -4.417) 17.750 1.182 ( 4.593 1.786 6.926) 8.500 1.320 ( 5.946 3.553 8.530) 10.988 1.457 ( -0.074 -0.885 -6.452) 6.513 1.479 ( 5.836 2.316 1.470) 6.448 1.525 ( 4.057 -1.925 -0.194) 4.495 1.613 ( 2.598 -4.467 0.329) 5.178 1.719 ( 4.403 -5.938 -2.822) 7.913 1.779 ( 0.643 -0.414 0.052) 0.767 1.835 ( -2.033 -1.109 -7.214) 7.576 1.873 ( 5.860 -3.844 -0.413) 7.020 1.949 ( 2.950 -2.659 -1.713) 4.325 2.055 ( -4.564 -4.312 5.394) 8.277 2.152 ( -3.997 3.178 1.303) 5.270 2.250 ( 1.208 0.959 -1.119) 1.905 2.267 ( -1.816 0.529 0.201) 1.903 2.355 ( 2.310 -2.503 -1.628) 3.775 2.443 ( -2.740 -2.148 -4.331) 5.557 2.457 ( -5.471 -7.201 -0.418) 9.053 2.461 ( 1.195 -2.398 1.903) 3.286 2.616 ( 0.167 -2.266 2.021) 3.041 2.629 ( 1.042 -1.712 -3.690) 4.199 2.691 ( -4.302 -3.554 0.151) 5.582 2.718 ( -3.213 -2.942 0.622) 4.401 2.775 ( -2.908 -4.017 -0.470) 4.982 2.810 ( -2.845 -1.660 1.097) 3.472 2.847 ( -0.222 -0.590 3.642) 3.696 2.896 ( 1.859 -2.771 3.943) 5.165 2.914 ( -2.382 -3.159 -3.030) 4.983 3.010 ( -1.136 -0.108 2.524) 2.770 3.045 ( 0.197 -2.106 3.164) 3.806 3.059 ( 3.393 -0.180 3.008) 4.538 3.093 ( 4.496 -2.523 -1.425) 5.349 3.121 ( -0.097 2.689 0.966) 2.859 3.193 ( 0.757 0.753 -2.333) 2.566 3.224 ( 0.962 0.101 1.755) 2.004 3.246 ( 0.886 0.610 -3.159) 3.337 3.290 ( 2.396 -0.855 -2.848) 3.819 3.302 ( -0.652 1.351 -0.706) 1.658 3.349 ( 2.618 -2.557 1.022) 3.799 3.406 ( -0.648 -1.681 0.869) 2.000 3.487 ( 1.432 0.751 1.550) 2.240 3.502 ( -1.397 -1.151 -2.255) 2.891 3.530 ( -0.392 -0.903 -1.264) 1.603 3.594 ( -2.947 1.394 -0.016) 3.260 3.625 ( -1.529 1.719 0.547) 2.365 3.647 ( -2.151 0.735 -0.035) 2.274 3.780 ( 3.014 2.771 -1.741) 4.449 3.828 ( 1.293 1.773 1.664) 2.754 3.863 ( 1.257 0.419 1.881) 2.301 3.916 ( -4.344 -0.452 1.581) 4.645 3.986 ( -1.473 1.782 0.398) 2.346 3.996 ( 1.089 1.154 -0.516) 1.669 4.096 ( -0.079 0.421 1.349) 1.415 4.121 ( -1.006 4.490 -1.829) 4.952 4.143 ( 0.245 -1.170 -0.522) 1.304 4.158 ( 0.708 0.524 -1.913) 2.106 4.193 ( -2.399 1.324 -1.039) 2.930 4.245 ( -1.160 -1.700 -0.659) 2.161 4.413 ( 0.505 -0.105 -0.757) 0.916 4.433 ( 0.257 -3.901 -1.649) 4.243 4.443 ( -2.034 0.510 1.424) 2.535 4.485 ( 1.651 -1.002 0.222) 1.944 4.555 ( 1.108 -2.156 1.666) 2.941 4.611 ( -0.432 -4.193 -0.325) 4.228 4.737 ( 1.733 2.335 -0.587) 2.966 4.773 ( 1.459 -1.661 -0.187) 2.219 4.795 ( -0.175 2.727 2.135) 3.468 4.863 ( 0.836 0.131 0.088) 0.851 4.988 ( -2.928 -1.566 -1.399) 3.603 5.049 ( -2.500 -0.449 0.094) 2.541 5.103 ( 1.695 2.726 1.861) 3.710 5.198 ( -2.471 1.114 0.123) 2.713 5.235 ( -1.576 2.436 1.176) 3.130 5.272 ( -3.415 1.454 -2.340) 4.388 5.331 ( -3.283 2.356 -1.509) 4.313 5.338 ( -3.653 0.557 1.277) 3.910 5.362 ( 0.017 -1.475 3.097) 3.431 5.457 ( -1.582 1.241 3.248) 3.820 5.499 ( -2.600 -1.785 2.618) 4.099 5.548 ( -2.405 0.211 0.803) 2.545 5.571 ( 0.440 0.769 -3.185) 3.306 5.575 ( -0.853 1.306 -0.920) 1.811 5.633 ( -2.171 -0.629 -1.735) 2.849 5.702 ( -1.672 -0.167 -1.901) 2.537 5.716 ( 0.551 -0.182 -1.888) 1.976 5.750 ( -2.479 -0.526 0.475) 2.579 5.797 ( 0.108 0.425 -0.799) 0.911 5.819 ( -0.876 0.321 1.269) 1.575 5.910 ( 2.134 0.804 1.833) 2.926 5.998 ( 0.504 -1.071 -0.734) 1.393 6.049 ( 2.788 0.391 -0.209) 2.823 6.054 ( 0.510 0.632 0.842) 1.170 6.296 ( -0.870 3.549 -2.162) 4.246 6.324 ( -1.746 2.217 0.662) 2.899 6.406 ( 0.801 2.277 0.739) 2.524 6.476 ( 0.333 2.848 1.752) 3.360 6.487 ( 3.062 1.186 0.013) 3.284 6.517 ( -1.293 1.290 -1.452) 2.334 6.627 ( 2.182 -1.151 -0.206) 2.475 6.703 ( -0.838 -3.180 -0.256) 3.298 6.872 ( 2.529 2.406 -0.986) 3.627 6.885 ( -0.032 4.000 1.036) 4.132 7.050 ( 1.709 -2.215 0.193) 2.804 7.079 ( 3.553 -1.682 -3.220) 5.082 7.147 ( 3.165 -2.837 2.336) 4.850 7.211 ( 3.924 -6.077 -0.429) 7.247 ======================= Grid point 118 (56/60) ======================= q-point: ( 0.43 0.29 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 99 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.079 ( 9.429 6.411 -2.891) 11.763 1.191 ( 2.192 7.305 1.564) 7.785 1.227 ( 1.886 4.025 -0.895) 4.534 1.358 ( -5.148 3.875 -0.985) 6.518 1.475 ( 4.491 3.287 2.560) 6.126 1.530 ( -0.426 0.717 3.515) 3.613 1.621 ( 1.217 1.939 3.261) 3.984 1.681 ( -3.512 0.320 -4.224) 5.503 1.731 ( 7.136 -0.254 -2.907) 7.710 1.772 ( 3.611 -3.128 -0.397) 4.794 1.815 ( 2.580 -0.318 -0.151) 2.604 1.928 ( 0.494 1.470 -0.494) 1.628 1.987 ( -0.277 -3.001 -0.450) 3.047 2.030 ( -2.021 -5.177 2.585) 6.129 2.090 ( -0.772 3.566 -1.823) 4.079 2.181 ( -6.201 -2.692 -3.243) 7.498 2.284 ( 2.896 -0.896 1.897) 3.576 2.333 ( 0.749 -0.928 -4.234) 4.398 2.423 ( 2.910 -5.274 2.472) 6.511 2.436 ( 1.910 -6.764 0.007) 7.028 2.502 ( -1.213 -3.517 1.818) 4.141 2.569 ( -4.153 -5.477 -3.016) 7.506 2.628 ( -2.660 -4.269 1.153) 5.160 2.638 ( 0.775 -5.065 -1.482) 5.334 2.714 ( -0.574 -1.907 2.105) 2.898 2.740 ( 1.083 0.480 0.097) 1.189 2.807 ( 0.814 -1.954 0.434) 2.161 2.809 ( -1.339 -4.816 -0.802) 5.063 2.857 ( -1.894 -3.477 2.583) 4.728 2.940 ( -3.736 3.480 -3.031) 5.937 3.023 ( 0.799 -0.412 0.526) 1.041 3.048 ( -1.746 -2.150 0.719) 2.861 3.098 ( 1.931 -0.378 2.176) 2.934 3.124 ( -0.113 0.231 2.310) 2.325 3.164 ( -1.242 1.215 0.624) 1.846 3.194 ( 0.032 -2.021 -4.150) 4.616 3.224 ( 5.102 -1.785 1.530) 5.617 3.276 ( 0.319 -1.382 -1.005) 1.738 3.294 ( 2.358 -0.473 -0.418) 2.441 3.327 ( 1.820 -0.079 2.710) 3.266 3.386 ( -2.364 -1.063 -0.476) 2.635 3.415 ( 2.101 -0.409 1.485) 2.605 3.438 ( -1.815 -0.374 -4.070) 4.472 3.472 ( -3.272 -1.283 -0.455) 3.544 3.550 ( 2.064 -0.630 1.226) 2.482 3.573 ( 0.834 -0.145 -0.279) 0.891 3.602 ( -0.742 1.051 -0.377) 1.340 3.607 ( -2.275 0.484 0.499) 2.378 3.824 ( 3.623 3.320 -1.138) 5.044 3.855 ( -1.145 2.655 1.770) 3.390 3.874 ( 0.089 0.602 0.785) 0.994 3.908 ( -0.793 0.539 -0.110) 0.965 3.970 ( -0.744 4.386 3.326) 5.554 4.007 ( 0.291 1.044 -1.717) 2.031 4.084 ( 0.577 4.031 -2.084) 4.574 4.101 ( -0.909 0.147 1.908) 2.119 4.113 ( -1.224 3.018 -2.283) 3.977 4.138 ( -1.729 0.217 -1.816) 2.517 4.178 ( 1.698 -2.106 1.037) 2.897 4.220 ( -1.573 -2.972 -0.600) 3.416 4.417 ( 0.850 -0.237 -0.560) 1.045 4.428 ( -1.040 -0.510 0.714) 1.360 4.452 ( 2.268 -3.795 0.304) 4.431 4.491 ( -0.943 -2.948 -0.869) 3.214 4.590 ( 0.991 -2.932 1.551) 3.462 4.609 ( 0.422 -3.122 -0.541) 3.197 4.754 ( 0.344 3.636 1.705) 4.030 4.790 ( -0.036 1.728 -1.286) 2.154 4.811 ( 0.709 1.257 1.035) 1.776 4.863 ( -2.378 1.957 -0.893) 3.207 4.957 ( 1.549 -2.181 2.541) 3.690 5.020 ( -1.355 -1.378 -1.376) 2.373 5.141 ( 0.644 1.771 1.306) 2.293 5.161 ( -1.117 1.952 -0.682) 2.350 5.202 ( -0.563 2.900 -1.307) 3.230 5.215 ( -2.798 1.143 0.087) 3.024 5.271 ( -0.398 2.414 -2.231) 3.311 5.279 ( -2.683 1.661 0.676) 3.227 5.417 ( 1.021 -1.106 4.243) 4.502 5.478 ( -2.859 -1.120 -0.338) 3.089 5.485 ( 1.617 1.042 1.098) 2.215 5.511 ( -1.756 -1.484 1.588) 2.794 5.555 ( 0.081 1.263 -1.512) 1.972 5.558 ( -0.906 0.760 -0.308) 1.222 5.604 ( 0.732 -2.034 0.225) 2.173 5.645 ( -1.549 -0.352 -3.068) 3.455 5.713 ( 0.702 -0.312 -1.029) 1.284 5.723 ( -1.318 -0.367 0.495) 1.455 5.793 ( 0.450 0.619 -0.141) 0.778 5.808 ( -1.217 0.264 0.245) 1.269 5.954 ( 1.504 1.137 0.710) 2.015 5.980 ( -1.108 0.803 -0.454) 1.442 6.071 ( 0.402 0.270 0.740) 0.884 6.077 ( 0.752 0.166 -0.524) 0.931 6.283 ( 0.458 2.960 0.531) 3.042 6.306 ( -1.334 2.004 0.136) 2.411 6.437 ( 1.094 2.421 1.628) 3.116 6.473 ( -0.668 2.232 -2.448) 3.379 6.512 ( 0.668 1.786 1.480) 2.414 6.522 ( 1.184 1.542 -0.758) 2.087 6.658 ( 1.429 -1.971 0.243) 2.447 6.683 ( -1.046 -2.599 -0.531) 2.851 6.895 ( 1.620 2.906 -1.592) 3.688 6.896 ( -0.481 3.439 1.595) 3.821 7.081 ( 0.897 -2.378 1.139) 2.786 7.096 ( 1.574 -2.265 -2.474) 3.705 7.211 ( 2.008 -3.787 1.294) 4.478 7.238 ( 0.132 -5.022 -0.640) 5.065 ======================= Grid point 122 (57/60) ======================= q-point: ( 0.00 0.43 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 53 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.957 ( -0.663 8.759 -0.506) 8.798 0.957 ( 0.663 8.759 0.506) 8.798 1.115 ( -2.219 0.149 -0.318) 2.247 1.115 ( 2.219 0.149 0.318) 2.247 1.356 ( 1.403 -1.229 -1.994) 2.730 1.356 ( -1.403 -1.229 1.994) 2.730 1.428 ( -0.680 -6.839 -2.121) 7.193 1.428 ( 0.680 -6.839 2.121) 7.193 1.658 ( -0.656 -1.509 -1.388) 2.153 1.658 ( 0.656 -1.509 1.388) 2.153 1.794 ( -2.526 0.090 -2.479) 3.540 1.794 ( 2.526 0.090 2.479) 3.540 1.899 ( -0.949 -2.543 -2.655) 3.797 1.899 ( 0.949 -2.543 2.655) 3.797 2.311 ( 2.207 1.229 -2.067) 3.264 2.311 ( -2.207 1.229 2.067) 3.264 2.389 ( -0.513 3.889 -4.707) 6.127 2.389 ( 0.513 3.889 4.707) 6.127 2.500 ( -6.013 2.964 -4.561) 8.109 2.500 ( 6.013 2.964 4.561) 8.109 2.563 ( -1.070 -1.804 -1.408) 2.526 2.563 ( 1.070 -1.804 1.408) 2.526 2.628 ( -2.113 -5.045 -0.742) 5.519 2.628 ( 2.113 -5.044 0.742) 5.519 2.682 ( 0.152 -1.134 -0.743) 1.364 2.682 ( -0.152 -1.134 0.743) 1.364 2.726 ( -0.282 -2.157 -3.244) 3.906 2.726 ( 0.282 -2.157 3.244) 3.906 2.931 ( 0.755 0.100 -0.580) 0.957 2.931 ( -0.755 0.100 0.580) 0.957 2.975 ( -1.097 0.933 -0.326) 1.477 2.975 ( 1.097 0.933 0.326) 1.477 3.072 ( -0.383 0.202 -0.589) 0.731 3.072 ( 0.383 0.202 0.589) 0.731 3.154 ( 3.395 0.441 -3.685) 5.030 3.154 ( -3.395 0.441 3.685) 5.030 3.203 ( 0.260 -3.782 -2.072) 4.321 3.203 ( -0.260 -3.782 2.072) 4.321 3.321 ( -2.680 1.483 -4.022) 5.055 3.321 ( 2.680 1.483 4.022) 5.055 3.359 ( -3.892 -0.985 -5.034) 6.439 3.359 ( 3.892 -0.985 5.034) 6.439 3.467 ( -0.027 1.219 -1.295) 1.778 3.467 ( 0.027 1.219 1.295) 1.778 3.612 ( -2.255 1.387 -0.185) 2.654 3.612 ( 2.255 1.387 0.185) 2.654 3.646 ( 1.477 -1.842 -1.451) 2.772 3.646 ( -1.477 -1.842 1.451) 2.772 3.787 ( 0.362 1.187 -2.159) 2.490 3.787 ( -0.362 1.187 2.159) 2.490 3.941 ( -0.751 1.684 -1.915) 2.659 3.941 ( 0.751 1.684 1.915) 2.659 3.988 ( 0.041 -1.658 -1.663) 2.349 3.988 ( -0.041 -1.658 1.663) 2.349 4.096 ( -0.440 0.164 -0.611) 0.770 4.096 ( 0.440 0.164 0.611) 0.770 4.191 ( 0.172 0.021 -2.076) 2.084 4.191 ( -0.172 0.021 2.076) 2.084 4.284 ( -0.726 -0.981 -1.847) 2.214 4.284 ( 0.726 -0.981 1.847) 2.214 4.402 ( -0.819 0.765 -1.590) 1.945 4.402 ( 0.819 0.765 1.590) 1.945 4.430 ( -0.130 -0.830 -2.122) 2.282 4.430 ( 0.130 -0.830 2.122) 2.282 4.558 ( 0.847 -0.836 -0.835) 1.454 4.558 ( -0.847 -0.836 0.835) 1.454 4.748 ( -0.043 1.094 -1.032) 1.505 4.748 ( 0.043 1.094 1.032) 1.505 4.876 ( -0.171 0.410 -1.091) 1.178 4.876 ( 0.171 0.410 1.091) 1.178 5.032 ( 0.323 0.739 -2.411) 2.543 5.032 ( -0.323 0.739 2.411) 2.543 5.122 ( -2.244 -1.759 -1.162) 3.079 5.122 ( 2.244 -1.759 1.162) 3.079 5.301 ( -0.485 0.504 -1.451) 1.611 5.301 ( 0.485 0.504 1.451) 1.611 5.429 ( 0.081 1.296 -2.826) 3.110 5.429 ( -0.081 1.296 2.826) 3.110 5.458 ( 0.272 -0.321 -1.050) 1.131 5.458 ( -0.272 -0.321 1.050) 1.131 5.596 ( -0.354 0.656 -0.113) 0.754 5.596 ( 0.354 0.656 0.113) 0.754 5.647 ( -1.813 -0.165 0.185) 1.830 5.647 ( 1.813 -0.165 -0.185) 1.830 5.728 ( -1.069 1.742 -2.568) 3.282 5.728 ( 1.069 1.742 2.568) 3.282 5.761 ( -0.701 -1.113 -1.650) 2.110 5.761 ( 0.701 -1.113 1.650) 2.110 5.810 ( -0.624 0.223 -0.729) 0.985 5.810 ( 0.624 0.223 0.729) 0.985 5.848 ( -1.964 -1.509 -0.101) 2.479 5.848 ( 1.964 -1.509 0.101) 2.479 5.991 ( -0.198 0.262 -0.499) 0.598 5.991 ( 0.198 0.262 0.499) 0.598 6.355 ( -0.296 -0.356 -0.758) 0.889 6.355 ( 0.296 -0.356 0.758) 0.889 6.450 ( 1.021 1.791 -2.415) 3.175 6.450 ( -1.021 1.791 2.415) 3.175 6.544 ( 0.211 -0.306 -1.614) 1.656 6.544 ( -0.211 -0.306 1.614) 1.656 6.670 ( -0.446 0.528 -0.777) 1.040 6.670 ( 0.446 0.528 0.777) 1.040 6.879 ( -0.925 1.005 -0.931) 1.653 6.879 ( 0.925 1.005 0.931) 1.653 6.997 ( 0.808 0.076 -1.493) 1.700 6.997 ( -0.808 0.076 1.493) 1.700 7.022 ( 0.619 -1.376 -1.335) 2.014 7.022 ( -0.619 -1.376 1.335) 2.014 ======================= Grid point 124 (58/60) ======================= q-point: ( 0.14 0.43 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 99 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.053 ( 8.053 5.899 4.248) 10.849 1.065 ( 8.041 11.100 1.073) 13.748 1.151 ( 5.517 1.666 1.850) 6.053 1.216 ( 8.649 -0.483 0.798) 8.699 1.362 ( 2.419 1.503 -1.222) 3.099 1.405 ( 2.822 -5.432 -3.186) 6.900 1.419 ( 3.731 -3.659 -0.462) 5.246 1.506 ( 6.316 -5.852 0.841) 8.651 1.613 ( -0.273 2.436 -5.139) 5.694 1.673 ( -0.053 -3.391 -1.556) 3.731 1.736 ( 1.229 -0.416 -0.078) 1.300 1.801 ( 0.299 -5.672 0.731) 5.727 1.919 ( 2.443 0.812 -0.870) 2.718 1.962 ( 1.305 -3.751 2.608) 4.751 2.277 ( -6.179 2.612 0.867) 6.764 2.293 ( -3.316 2.419 0.180) 4.109 2.334 ( 0.419 0.034 0.144) 0.444 2.348 ( -2.190 1.150 -2.560) 3.560 2.431 ( -3.159 3.570 2.131) 5.221 2.504 ( -3.069 -1.074 -1.802) 3.718 2.542 ( -6.622 -1.492 -0.735) 6.827 2.586 ( 0.173 0.427 0.012) 0.461 2.601 ( 1.819 -2.712 -3.498) 4.785 2.644 ( -2.039 -5.774 3.048) 6.840 2.695 ( 2.253 -1.033 -0.721) 2.582 2.704 ( 0.579 -1.522 -2.646) 3.107 2.776 ( 4.761 1.212 4.797) 6.866 2.818 ( 5.878 -2.763 3.982) 7.618 2.901 ( -2.793 0.741 -0.067) 2.890 2.915 ( -3.661 1.903 0.514) 4.158 2.935 ( 0.081 -1.097 -0.006) 1.100 2.976 ( -2.769 -2.650 1.853) 4.258 3.063 ( -0.667 1.569 -1.061) 2.008 3.077 ( -1.942 0.542 -0.209) 2.027 3.150 ( -0.900 2.715 2.496) 3.796 3.179 ( 0.680 -2.058 -1.423) 2.593 3.189 ( 4.214 -1.842 -0.926) 4.691 3.208 ( 1.492 -1.234 -1.398) 2.388 3.254 ( 0.539 -0.170 -1.521) 1.623 3.273 ( 0.684 -1.715 -1.014) 2.106 3.385 ( 0.336 2.851 -1.698) 3.336 3.429 ( -1.821 -0.494 -1.222) 2.248 3.466 ( 1.116 -0.299 0.821) 1.418 3.481 ( 0.942 -0.906 0.929) 1.604 3.575 ( -2.518 2.170 1.490) 3.642 3.627 ( -3.188 -2.634 1.858) 4.534 3.652 ( 0.428 0.531 0.668) 0.955 3.659 ( 1.059 0.014 0.156) 1.070 3.779 ( 1.449 1.727 -0.501) 2.310 3.805 ( 0.426 -0.398 1.495) 1.605 3.912 ( -0.790 2.513 -2.308) 3.502 3.961 ( -2.579 -2.396 -0.593) 3.570 3.970 ( 1.572 1.581 0.707) 2.339 3.997 ( 0.759 -0.791 0.564) 1.233 4.097 ( 0.506 1.894 1.248) 2.324 4.122 ( 1.698 -0.473 0.126) 1.767 4.149 ( -2.024 0.298 -0.677) 2.155 4.191 ( -1.443 -2.296 0.120) 2.714 4.252 ( -1.218 2.951 -0.156) 3.197 4.310 ( -0.711 -1.171 0.695) 1.536 4.389 ( 0.843 0.658 -1.723) 2.028 4.410 ( 0.222 -0.407 -1.789) 1.848 4.445 ( 0.733 -0.416 1.515) 1.733 4.450 ( 0.665 -1.455 2.768) 3.196 4.522 ( -2.751 -0.066 -0.712) 2.842 4.544 ( -0.280 -2.520 -2.259) 3.396 4.753 ( 1.721 1.765 -0.987) 2.655 4.768 ( 1.018 0.433 -0.091) 1.110 4.837 ( -0.648 1.136 -2.609) 2.919 4.853 ( -0.653 -0.512 -2.174) 2.327 5.018 ( -1.528 -0.312 0.400) 1.610 5.033 ( -2.049 -1.949 1.052) 3.017 5.127 ( 2.786 3.436 0.969) 4.529 5.186 ( 2.685 -2.105 1.766) 3.842 5.300 ( -0.286 2.512 2.023) 3.238 5.339 ( 0.203 -1.011 3.104) 3.271 5.360 ( -3.510 1.185 -2.957) 4.740 5.396 ( -5.044 -1.031 -0.827) 5.214 5.414 ( -4.441 0.414 1.097) 4.593 5.435 ( -4.039 -0.921 3.076) 5.160 5.562 ( -2.590 1.412 -0.889) 3.081 5.578 ( -1.510 0.181 -0.309) 1.552 5.624 ( -1.255 1.935 0.793) 2.439 5.657 ( -0.558 -0.735 -1.237) 1.544 5.676 ( -1.948 1.064 -1.911) 2.929 5.707 ( -2.003 -1.755 -2.858) 3.907 5.751 ( -0.464 0.501 -0.495) 0.844 5.766 ( -0.453 -0.546 -0.181) 0.732 5.804 ( -0.302 0.861 1.361) 1.639 5.818 ( -0.997 -0.559 1.789) 2.123 5.868 ( 2.789 1.260 0.679) 3.135 5.908 ( 3.827 -2.727 -0.004) 4.699 6.013 ( 2.699 0.661 -0.077) 2.780 6.024 ( 2.226 -0.337 0.652) 2.344 6.347 ( 1.002 1.078 -1.778) 2.308 6.370 ( 1.022 -1.243 -0.863) 1.826 6.447 ( 0.864 2.242 -1.280) 2.723 6.461 ( 1.113 0.833 -0.660) 1.540 6.530 ( -2.134 1.922 2.023) 3.512 6.564 ( -0.223 -1.867 1.030) 2.144 6.611 ( -3.034 2.704 0.219) 4.070 6.657 ( -1.458 -2.358 0.042) 2.772 6.902 ( 2.719 3.565 0.321) 4.495 6.936 ( 2.518 1.690 1.404) 3.342 6.994 ( 0.726 -1.079 -0.522) 1.402 7.014 ( 2.160 -1.834 -1.581) 3.245 7.037 ( 2.497 -0.623 0.014) 2.573 7.055 ( 3.276 -2.376 -0.143) 4.049 ======================= Grid point 125 (59/60) ======================= q-point: ( 0.29 0.43 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 99 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.167 ( 4.231 9.803 -1.026) 10.727 1.234 ( 4.121 5.134 4.852) 8.178 1.310 ( 8.620 -0.313 2.613) 9.013 1.350 ( 5.250 9.076 -5.117) 11.667 1.416 ( 6.528 -7.121 0.622) 9.680 1.447 ( 5.353 0.408 -2.915) 6.109 1.483 ( 7.108 -3.039 -1.015) 7.797 1.575 ( 2.628 -8.864 -4.575) 10.315 1.626 ( 5.485 6.756 3.634) 9.430 1.748 ( 6.080 -3.752 2.248) 7.490 1.802 ( 4.496 -2.262 1.578) 5.275 1.815 ( 1.662 -2.061 -2.905) 3.930 1.941 ( 0.897 1.442 0.384) 1.741 1.979 ( -2.054 -2.840 2.741) 4.450 2.187 ( -5.652 2.217 2.600) 6.604 2.255 ( -3.167 -3.580 2.043) 5.198 2.300 ( -1.935 2.577 -3.532) 4.781 2.327 ( 1.331 -0.921 -2.954) 3.368 2.392 ( -2.867 -2.188 -3.355) 4.926 2.404 ( -3.085 -0.373 -3.039) 4.346 2.420 ( -3.481 2.701 0.388) 4.423 2.542 ( -2.317 -6.259 -3.713) 7.638 2.603 ( -0.451 0.433 -0.073) 0.630 2.637 ( -2.150 -2.789 -0.237) 3.529 2.681 ( -0.844 0.229 -0.417) 0.968 2.710 ( -0.399 -2.340 0.379) 2.404 2.797 ( -3.322 1.052 0.812) 3.578 2.838 ( -2.347 -2.055 1.237) 3.356 2.864 ( -2.940 0.151 0.007) 2.944 2.881 ( -1.906 -1.008 1.430) 2.587 2.990 ( -0.204 -0.190 2.880) 2.893 3.011 ( -0.764 -1.798 4.197) 4.629 3.056 ( 3.723 -0.016 2.751) 4.629 3.064 ( 4.553 -0.878 0.406) 4.655 3.172 ( -0.062 2.772 0.907) 2.918 3.206 ( 2.152 -0.349 -1.933) 2.913 3.242 ( 4.316 1.528 -0.247) 4.585 3.260 ( -1.089 1.454 1.337) 2.256 3.282 ( 3.141 -1.647 -0.589) 3.596 3.303 ( 2.277 -2.175 0.361) 3.169 3.336 ( -0.930 1.852 -1.952) 2.847 3.368 ( -2.955 -1.284 -0.410) 3.248 3.472 ( -0.530 -0.812 -2.219) 2.421 3.481 ( 0.064 -1.140 -0.034) 1.142 3.536 ( -1.257 1.468 -1.342) 2.353 3.577 ( -2.659 -2.309 -1.094) 3.688 3.648 ( -1.861 0.793 0.622) 2.117 3.656 ( -1.907 0.016 0.554) 1.986 3.827 ( 3.232 1.653 1.415) 3.897 3.843 ( 1.345 -0.212 1.925) 2.358 3.877 ( 0.024 1.727 -1.571) 2.335 3.908 ( -2.264 -0.945 0.658) 2.540 4.014 ( 1.405 0.968 0.198) 1.718 4.029 ( 2.743 0.693 0.375) 2.853 4.102 ( -1.209 1.872 0.376) 2.259 4.134 ( 0.607 0.253 -0.210) 0.691 4.146 ( 0.507 -0.719 0.095) 0.885 4.163 ( -1.523 -2.879 -0.482) 3.292 4.225 ( -2.285 4.308 -0.320) 4.887 4.269 ( -3.418 0.924 -1.250) 3.755 4.383 ( 0.424 -0.907 -0.962) 1.389 4.396 ( 0.361 -1.312 -0.810) 1.584 4.459 ( -1.295 0.971 0.230) 1.635 4.469 ( -1.093 -0.212 -0.705) 1.318 4.504 ( 1.005 -2.322 2.573) 3.609 4.521 ( 0.690 -3.937 -1.364) 4.224 4.780 ( 1.396 1.437 0.080) 2.005 4.784 ( 2.499 1.859 -0.415) 3.143 4.827 ( 0.154 0.646 1.735) 1.858 4.850 ( 1.154 -1.420 -0.092) 1.832 4.978 ( -2.093 0.898 -1.174) 2.562 5.014 ( -1.183 -2.356 -0.381) 2.663 5.183 ( 1.810 4.378 0.998) 4.842 5.224 ( -1.404 1.110 1.041) 2.071 5.258 ( -2.599 -0.277 -0.497) 2.661 5.280 ( -4.875 -1.047 -2.134) 5.424 5.338 ( -1.584 0.431 1.180) 2.021 5.353 ( -1.290 -0.336 -1.027) 1.683 5.361 ( -2.633 1.686 5.285) 6.140 5.417 ( -2.812 -3.659 6.406) 7.895 5.516 ( -1.516 2.192 -0.939) 2.826 5.544 ( -2.344 -0.526 -0.279) 2.418 5.594 ( -1.252 1.476 -3.702) 4.177 5.610 ( -1.689 1.121 -0.322) 2.053 5.621 ( -2.069 0.183 -2.654) 3.370 5.665 ( -1.216 -2.799 -0.574) 3.105 5.727 ( -0.298 0.985 -1.969) 2.222 5.745 ( -1.225 -0.528 -0.956) 1.641 5.804 ( -0.505 0.510 0.045) 0.719 5.816 ( -0.947 -0.526 0.775) 1.332 5.927 ( 2.279 1.282 1.789) 3.168 5.962 ( 1.845 -2.189 0.708) 2.949 6.056 ( 2.226 0.357 -0.554) 2.321 6.060 ( 1.389 0.023 0.243) 1.411 6.342 ( -0.004 1.386 -1.355) 1.938 6.354 ( -1.693 0.349 -0.320) 1.757 6.455 ( 0.666 2.626 1.021) 2.895 6.489 ( 2.191 -0.680 0.168) 2.300 6.530 ( 0.113 1.636 1.523) 2.238 6.541 ( -1.260 0.887 -0.060) 1.542 6.610 ( 0.961 0.091 -0.176) 0.981 6.642 ( -0.076 -2.730 -0.996) 2.907 6.946 ( 1.836 4.463 0.466) 4.848 6.971 ( 1.207 4.461 -0.341) 4.634 7.014 ( 1.625 -2.068 0.404) 2.661 7.038 ( 2.454 -2.562 -1.722) 3.944 7.093 ( 3.019 -1.882 0.612) 3.609 7.114 ( 3.224 -3.778 -0.202) 4.971 ======================= Grid point 126 (60/60) ======================= q-point: ( 0.43 0.43 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 99 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.204 ( 2.525 5.403 -1.254) 6.095 1.246 ( -3.111 0.981 0.560) 3.310 1.399 ( 5.292 9.333 -2.406) 10.995 1.431 ( 2.190 3.810 0.073) 4.395 1.496 ( 2.620 -2.030 1.222) 3.533 1.527 ( 1.163 -1.618 1.359) 2.412 1.618 ( 6.771 -2.898 -1.276) 7.475 1.639 ( 7.282 -2.978 0.744) 7.903 1.744 ( 1.718 3.378 3.093) 4.892 1.776 ( 1.716 2.815 -2.114) 3.916 1.803 ( 1.042 -0.691 -2.431) 2.734 1.868 ( -4.822 -7.476 2.019) 9.122 1.977 ( 2.307 1.792 1.462) 3.266 1.983 ( -0.563 -0.069 0.922) 1.082 2.128 ( -1.721 0.937 -0.065) 1.961 2.187 ( -1.140 -1.674 -1.916) 2.788 2.263 ( -2.909 3.723 -1.348) 4.913 2.300 ( 1.310 -1.316 -0.712) 1.989 2.333 ( 2.743 -4.317 -0.833) 5.182 2.357 ( -1.596 -1.719 -0.524) 2.404 2.429 ( -1.682 -2.926 -1.311) 3.621 2.445 ( -5.825 -5.780 -1.028) 8.271 2.569 ( -0.383 -0.800 0.406) 0.975 2.584 ( -1.333 -1.809 -0.704) 2.355 2.685 ( 1.127 -0.487 1.263) 1.761 2.708 ( 1.612 -2.687 0.440) 3.164 2.760 ( -2.425 -0.236 -2.246) 3.314 2.772 ( -3.865 -1.232 -1.954) 4.503 2.885 ( 4.499 3.957 4.928) 7.757 2.956 ( 3.623 -2.168 2.850) 5.094 3.006 ( -0.711 -0.933 3.807) 3.984 3.014 ( -1.050 -1.788 2.315) 3.108 3.081 ( -4.154 1.549 -4.042) 6.000 3.123 ( -3.412 -2.153 -0.791) 4.112 3.177 ( 2.355 1.563 0.114) 2.829 3.202 ( 2.054 -0.804 0.522) 2.267 3.229 ( 1.907 3.431 -2.586) 4.701 3.267 ( 0.164 -0.194 -2.869) 2.880 3.299 ( 0.389 1.749 -0.006) 1.792 3.321 ( -3.058 -0.129 2.976) 4.269 3.353 ( 1.816 -2.566 0.352) 3.163 3.377 ( 0.951 -3.492 2.567) 4.437 3.434 ( -0.351 0.285 -1.782) 1.839 3.446 ( -1.993 -0.749 -2.405) 3.212 3.549 ( 2.218 0.516 0.805) 2.415 3.563 ( 1.549 -0.743 -0.171) 1.726 3.611 ( -1.907 0.546 -0.482) 2.041 3.618 ( -2.362 -0.031 -0.291) 2.380 3.870 ( 0.826 1.152 0.409) 1.475 3.877 ( 0.074 0.483 0.289) 0.568 3.896 ( 1.833 1.040 1.860) 2.811 3.911 ( 0.895 -0.303 0.245) 0.976 4.035 ( 2.133 2.553 -1.439) 3.625 4.054 ( -0.988 3.520 1.070) 3.809 4.100 ( -0.142 -0.647 1.926) 2.037 4.127 ( -0.410 -0.891 -2.368) 2.563 4.137 ( 0.664 -0.823 -1.801) 2.088 4.143 ( -1.190 -0.989 0.702) 1.699 4.172 ( -2.342 2.574 0.405) 3.504 4.194 ( -2.583 0.320 -1.767) 3.145 4.403 ( 1.743 -0.985 0.429) 2.048 4.404 ( 0.750 -0.745 0.182) 1.073 4.425 ( -1.067 0.082 -0.496) 1.180 4.442 ( -1.598 -1.785 -0.888) 2.555 4.534 ( 0.794 -1.879 1.190) 2.362 4.542 ( 0.615 -2.639 0.387) 2.737 4.811 ( 0.696 1.995 0.721) 2.233 4.817 ( 1.583 1.397 -0.275) 2.129 4.855 ( 0.729 1.931 2.193) 3.012 4.901 ( 2.554 -2.330 3.994) 5.282 4.918 ( -2.418 2.568 -2.900) 4.567 4.977 ( -1.711 -2.825 -2.587) 4.195 5.189 ( -0.596 2.103 -0.956) 2.386 5.191 ( -1.833 1.698 1.724) 3.036 5.219 ( -0.965 -0.250 0.495) 1.113 5.234 ( -0.931 -0.421 -1.280) 1.638 5.309 ( -0.532 1.501 -0.543) 1.682 5.315 ( -1.174 1.269 -0.368) 1.767 5.412 ( 0.200 0.887 5.407) 5.483 5.447 ( -1.553 -1.889 4.975) 5.544 5.483 ( -1.308 -0.547 -2.071) 2.510 5.493 ( -0.049 -0.582 -3.721) 3.767 5.565 ( -0.548 0.155 -0.362) 0.675 5.570 ( -0.191 -0.333 0.308) 0.492 5.591 ( -0.081 1.289 -1.060) 1.671 5.624 ( -1.760 -1.739 -2.254) 3.347 5.712 ( 0.400 0.331 -0.979) 1.108 5.719 ( -0.883 -0.190 -0.153) 0.917 5.797 ( -0.087 0.084 -0.006) 0.121 5.804 ( -0.844 -0.525 0.142) 1.004 5.971 ( 1.104 0.770 0.908) 1.623 5.983 ( 0.098 -0.360 0.252) 0.450 6.074 ( 0.613 0.131 -0.108) 0.636 6.077 ( 0.606 -0.098 -0.423) 0.746 6.329 ( -0.379 1.365 0.279) 1.444 6.334 ( -0.828 0.724 0.287) 1.137 6.480 ( 0.377 1.803 1.522) 2.390 6.499 ( -0.634 0.087 -0.383) 0.746 6.547 ( 1.804 1.663 -0.792) 2.578 6.552 ( 0.431 1.264 0.813) 1.564 6.620 ( 0.209 -1.339 0.380) 1.408 6.630 ( 0.181 -2.229 -1.548) 2.720 6.973 ( 0.581 4.380 0.716) 4.476 6.980 ( 0.662 4.372 -0.869) 4.506 7.044 ( 0.640 -1.623 1.106) 2.066 7.053 ( 1.152 -2.106 -1.504) 2.833 7.138 ( 1.515 -2.977 0.271) 3.351 7.147 ( 0.761 -3.821 -0.116) 3.898 =================== 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 3/21168 10.0 257.227 189.424 233.620 0.000 -1.946 0.000 3/21168 20.0 35.979 24.949 33.016 0.000 0.731 0.000 3/21168 30.0 12.849 9.138 11.678 0.000 0.313 0.000 3/21168 40.0 6.873 5.006 6.214 0.000 0.183 0.000 3/21168 50.0 4.504 3.337 4.062 0.000 0.126 0.000 3/21168 60.0 3.313 2.484 2.983 0.000 0.095 0.000 3/21168 70.0 2.617 1.978 2.354 0.000 0.076 0.000 3/21168 80.0 2.167 1.647 1.947 0.000 0.063 0.000 3/21168 90.0 1.853 1.415 1.663 0.000 0.053 0.000 3/21168 100.0 1.622 1.242 1.454 0.000 0.046 0.000 3/21168 110.0 1.444 1.109 1.294 0.000 0.041 0.000 3/21168 120.0 1.304 1.003 1.167 0.000 0.036 0.000 3/21168 130.0 1.189 0.916 1.064 0.000 0.033 0.000 3/21168 140.0 1.094 0.844 0.978 0.000 0.030 0.000 3/21168 150.0 1.014 0.783 0.905 0.000 0.027 0.000 3/21168 160.0 0.945 0.730 0.843 0.000 0.025 0.000 3/21168 170.0 0.885 0.684 0.789 0.000 0.024 0.000 3/21168 180.0 0.832 0.644 0.742 0.000 0.022 0.000 3/21168 190.0 0.786 0.608 0.700 0.000 0.021 0.000 3/21168 200.0 0.744 0.576 0.663 0.000 0.020 0.000 3/21168 210.0 0.707 0.547 0.630 0.000 0.018 0.000 3/21168 220.0 0.673 0.522 0.600 0.000 0.018 0.000 3/21168 230.0 0.643 0.498 0.572 0.000 0.017 0.000 3/21168 240.0 0.615 0.477 0.548 0.000 0.016 0.000 3/21168 250.0 0.590 0.457 0.525 0.000 0.015 0.000 3/21168 260.0 0.566 0.439 0.504 0.000 0.015 0.000 3/21168 270.0 0.545 0.422 0.485 0.000 0.014 0.000 3/21168 280.0 0.525 0.407 0.467 0.000 0.013 0.000 3/21168 290.0 0.506 0.393 0.450 0.000 0.013 0.000 3/21168 300.0 0.489 0.379 0.435 0.000 0.012 0.000 3/21168 310.0 0.473 0.367 0.421 0.000 0.012 0.000 3/21168 320.0 0.458 0.355 0.407 0.000 0.012 0.000 3/21168 330.0 0.444 0.344 0.394 0.000 0.011 0.000 3/21168 340.0 0.430 0.334 0.383 0.000 0.011 0.000 3/21168 350.0 0.418 0.324 0.371 0.000 0.011 0.000 3/21168 360.0 0.406 0.315 0.361 0.000 0.010 0.000 3/21168 370.0 0.395 0.307 0.351 0.000 0.010 0.000 3/21168 380.0 0.385 0.298 0.342 0.000 0.010 0.000 3/21168 390.0 0.375 0.291 0.333 0.000 0.009 0.000 3/21168 400.0 0.365 0.283 0.324 0.000 0.009 0.000 3/21168 410.0 0.356 0.276 0.316 0.000 0.009 0.000 3/21168 420.0 0.347 0.270 0.309 0.000 0.009 0.000 3/21168 430.0 0.339 0.263 0.301 0.000 0.009 0.000 3/21168 440.0 0.332 0.257 0.294 0.000 0.008 0.000 3/21168 450.0 0.324 0.252 0.288 0.000 0.008 0.000 3/21168 460.0 0.317 0.246 0.282 0.000 0.008 0.000 3/21168 470.0 0.310 0.241 0.275 0.000 0.008 0.000 3/21168 480.0 0.304 0.236 0.270 0.000 0.008 0.000 3/21168 490.0 0.297 0.231 0.264 0.000 0.007 0.000 3/21168 500.0 0.291 0.226 0.259 0.000 0.007 0.000 3/21168 510.0 0.286 0.222 0.254 0.000 0.007 0.000 3/21168 520.0 0.280 0.217 0.249 0.000 0.007 0.000 3/21168 530.0 0.275 0.213 0.244 0.000 0.007 0.000 3/21168 540.0 0.270 0.209 0.239 0.000 0.007 0.000 3/21168 550.0 0.265 0.206 0.235 0.000 0.007 0.000 3/21168 560.0 0.260 0.202 0.231 0.000 0.006 0.000 3/21168 570.0 0.255 0.198 0.227 0.000 0.006 0.000 3/21168 580.0 0.251 0.195 0.223 0.000 0.006 0.000 3/21168 590.0 0.247 0.192 0.219 0.000 0.006 0.000 3/21168 600.0 0.243 0.188 0.215 0.000 0.006 0.000 3/21168 610.0 0.239 0.185 0.212 0.000 0.006 0.000 3/21168 620.0 0.235 0.182 0.208 0.000 0.006 0.000 3/21168 630.0 0.231 0.179 0.205 0.000 0.006 0.000 3/21168 640.0 0.227 0.177 0.202 0.000 0.006 0.000 3/21168 650.0 0.224 0.174 0.199 0.000 0.006 0.000 3/21168 660.0 0.220 0.171 0.196 0.000 0.005 0.000 3/21168 670.0 0.217 0.169 0.193 0.000 0.005 0.000 3/21168 680.0 0.214 0.166 0.190 0.000 0.005 0.000 3/21168 690.0 0.211 0.164 0.187 0.000 0.005 0.000 3/21168 700.0 0.208 0.161 0.184 0.000 0.005 0.000 3/21168 710.0 0.205 0.159 0.182 0.000 0.005 0.000 3/21168 720.0 0.202 0.157 0.179 0.000 0.005 0.000 3/21168 730.0 0.199 0.155 0.177 0.000 0.005 0.000 3/21168 740.0 0.197 0.153 0.174 0.000 0.005 0.000 3/21168 750.0 0.194 0.151 0.172 0.000 0.005 0.000 3/21168 760.0 0.191 0.149 0.170 0.000 0.005 0.000 3/21168 770.0 0.189 0.147 0.168 0.000 0.005 0.000 3/21168 780.0 0.186 0.145 0.165 0.000 0.005 0.000 3/21168 790.0 0.184 0.143 0.163 0.000 0.005 0.000 3/21168 800.0 0.182 0.141 0.161 0.000 0.005 0.000 3/21168 810.0 0.179 0.139 0.159 0.000 0.004 0.000 3/21168 820.0 0.177 0.138 0.157 0.000 0.004 0.000 3/21168 830.0 0.175 0.136 0.155 0.000 0.004 0.000 3/21168 840.0 0.173 0.134 0.154 0.000 0.004 0.000 3/21168 850.0 0.171 0.133 0.152 0.000 0.004 0.000 3/21168 860.0 0.169 0.131 0.150 0.000 0.004 0.000 3/21168 870.0 0.167 0.130 0.148 0.000 0.004 0.000 3/21168 880.0 0.165 0.128 0.147 0.000 0.004 0.000 3/21168 890.0 0.163 0.127 0.145 0.000 0.004 0.000 3/21168 900.0 0.161 0.125 0.143 0.000 0.004 0.000 3/21168 910.0 0.160 0.124 0.142 0.000 0.004 0.000 3/21168 920.0 0.158 0.123 0.140 0.000 0.004 0.000 3/21168 930.0 0.156 0.121 0.139 0.000 0.004 0.000 3/21168 940.0 0.155 0.120 0.137 0.000 0.004 0.000 3/21168 950.0 0.153 0.119 0.136 0.000 0.004 0.000 3/21168 960.0 0.151 0.118 0.134 0.000 0.004 0.000 3/21168 970.0 0.150 0.116 0.133 0.000 0.004 0.000 3/21168 980.0 0.148 0.115 0.132 0.000 0.004 0.000 3/21168 990.0 0.147 0.114 0.130 0.000 0.004 0.000 3/21168 1000.0 0.145 0.113 0.129 0.000 0.004 0.000 3/21168 Thermal conductivity related properties were written into "kappa-m774.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 10:30:07]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|