----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-09 02:25:19]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 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 11.235114019497322 0.000000000000000 0.000000000000000 b 0.000000000000000 7.131313410000000 0.000000000000000 c -3.971564147674650 0.000000000000000 10.732546779931786 Atomic positions (fractional): *1 Rb 0.94694709223824 0.41756704320694 0.30760799977880 85.468 *2 Rb 0.83259372893194 0.90014841510124 0.41212775155598 85.468 3 Rb 0.94694709223824 0.08243295679306 0.80760799977880 85.468 *4 Rb 0.63363042507947 0.66960936520110 0.10951509431801 85.468 5 Rb 0.83259372893194 0.59985158489876 0.91212775155598 85.468 *6 Rb 0.56731159582386 0.20516895305371 0.20162258441934 85.468 7 Rb 0.63363042507947 0.83039063479890 0.60951509431801 85.468 8 Rb 0.56731159582386 0.29483104694629 0.70162258441934 85.468 9 Rb 0.43268840417614 0.70516895305371 0.29837741558066 85.468 10 Rb 0.36636957492053 0.16960936520111 0.39048490568199 85.468 11 Rb 0.43268840417614 0.79483104694629 0.79837741558066 85.468 12 Rb 0.16740627106806 0.40014841510124 0.08787224844402 85.468 13 Rb 0.36636957492053 0.33039063479890 0.89048490568199 85.468 14 Rb 0.05305290776176 0.91756704320694 0.19239200022120 85.468 15 Rb 0.16740627106806 0.09985158489876 0.58787224844402 85.468 16 Rb 0.05305290776176 0.58243295679306 0.69239200022120 85.468 *17 Pb 0.75668374518593 0.13352053895566 0.00464594022239 207.200 18 Pb 0.75668374518593 0.36647946104434 0.50464594022239 207.200 19 Pb 0.24331625481407 0.63352053895566 0.49535405977761 207.200 20 Pb 0.24331625481407 0.86647946104434 0.99535405977761 207.200 *21 O 0.93614077194827 0.24396702591622 0.03234375531836 15.999 22 O 0.93614077194827 0.25603297408378 0.53234375531836 15.999 *23 O 0.77515912238342 0.99783786384020 0.17113303771440 15.999 *24 O 0.69049642975693 0.54251460422408 0.34823403079697 15.999 25 O 0.77515912238342 0.50216213615980 0.67113303771440 15.999 *26 O 0.62741224829580 0.14425839128088 0.46918420332205 15.999 27 O 0.69049642975693 0.95748539577592 0.84823403079697 15.999 28 O 0.37258775170420 0.64425839128088 0.03081579667795 15.999 29 O 0.62741224829580 0.35574160871912 0.96918420332205 15.999 30 O 0.30950357024308 0.04251460422408 0.15176596920303 15.999 31 O 0.37258775170420 0.85574160871912 0.53081579667795 15.999 32 O 0.22484087761658 0.49783786384020 0.32886696228560 15.999 33 O 0.30950357024308 0.45748539577592 0.65176596920303 15.999 34 O 0.22484087761658 0.00216213615980 0.82886696228560 15.999 35 O 0.06385922805173 0.74396702591622 0.46765624468164 15.999 36 O 0.06385922805173 0.75603297408378 0.96765624468164 15.999 -------------------------------- unit cell --------------------------------- Lattice vectors: a 11.235114019497322 0.000000000000000 0.000000000000000 b 0.000000000000000 7.131313410000000 0.000000000000000 c -3.971564147674650 0.000000000000000 10.732546779931786 Atomic positions (fractional): *1 Rb 0.94694709223824 0.41756704320694 0.30760799977880 85.468 > 1 *2 Rb 0.83259372893194 0.90014841510124 0.41212775155598 85.468 > 2 3 Rb 0.94694709223824 0.08243295679306 0.80760799977880 85.468 > 3 *4 Rb 0.63363042507947 0.66960936520110 0.10951509431801 85.468 > 4 5 Rb 0.83259372893194 0.59985158489876 0.91212775155598 85.468 > 5 *6 Rb 0.56731159582386 0.20516895305371 0.20162258441934 85.468 > 6 7 Rb 0.63363042507947 0.83039063479890 0.60951509431801 85.468 > 7 8 Rb 0.56731159582386 0.29483104694629 0.70162258441934 85.468 > 8 9 Rb 0.43268840417614 0.70516895305371 0.29837741558066 85.468 > 9 10 Rb 0.36636957492053 0.16960936520111 0.39048490568199 85.468 > 10 11 Rb 0.43268840417614 0.79483104694629 0.79837741558066 85.468 > 11 12 Rb 0.16740627106806 0.40014841510124 0.08787224844402 85.468 > 12 13 Rb 0.36636957492053 0.33039063479890 0.89048490568199 85.468 > 13 14 Rb 0.05305290776176 0.91756704320694 0.19239200022120 85.468 > 14 15 Rb 0.16740627106806 0.09985158489876 0.58787224844402 85.468 > 15 16 Rb 0.05305290776176 0.58243295679306 0.69239200022120 85.468 > 16 *17 Pb 0.75668374518593 0.13352053895566 0.00464594022239 207.200 > 17 18 Pb 0.75668374518593 0.36647946104434 0.50464594022239 207.200 > 18 19 Pb 0.24331625481407 0.63352053895566 0.49535405977761 207.200 > 19 20 Pb 0.24331625481407 0.86647946104434 0.99535405977761 207.200 > 20 *21 O 0.93614077194827 0.24396702591622 0.03234375531836 15.999 > 21 22 O 0.93614077194827 0.25603297408378 0.53234375531836 15.999 > 22 *23 O 0.77515912238342 0.99783786384020 0.17113303771440 15.999 > 23 *24 O 0.69049642975693 0.54251460422408 0.34823403079697 15.999 > 24 25 O 0.77515912238342 0.50216213615980 0.67113303771440 15.999 > 25 *26 O 0.62741224829580 0.14425839128088 0.46918420332205 15.999 > 26 27 O 0.69049642975693 0.95748539577592 0.84823403079697 15.999 > 27 28 O 0.37258775170420 0.64425839128088 0.03081579667795 15.999 > 28 29 O 0.62741224829580 0.35574160871912 0.96918420332205 15.999 > 29 30 O 0.30950357024308 0.04251460422408 0.15176596920303 15.999 > 30 31 O 0.37258775170420 0.85574160871912 0.53081579667795 15.999 > 31 32 O 0.22484087761658 0.49783786384020 0.32886696228560 15.999 > 32 33 O 0.30950357024308 0.45748539577592 0.65176596920303 15.999 > 33 34 O 0.22484087761658 0.00216213615980 0.82886696228560 15.999 > 34 35 O 0.06385922805173 0.74396702591622 0.46765624468164 15.999 > 35 36 O 0.06385922805173 0.75603297408378 0.96765624468164 15.999 > 36 -------------------------------- super cell -------------------------------- Lattice vectors: a 22.470228038994644 0.000000000000000 0.000000000000000 b 0.000000000000000 14.262626819999999 0.000000000000000 c -3.971564147674650 0.000000000000000 10.732546779931786 Atomic positions (fractional): *1 Rb 0.47347354611912 0.20878352160347 0.30760799977880 85.468 > 1 2 Rb 0.97347354611912 0.20878352160347 0.30760799977880 85.468 > 1 3 Rb 0.47347354611912 0.70878352160347 0.30760799977880 85.468 > 1 4 Rb 0.97347354611912 0.70878352160347 0.30760799977880 85.468 > 1 *5 Rb 0.41629686446597 0.45007420755062 0.41212775155598 85.468 > 2 6 Rb 0.91629686446597 0.45007420755062 0.41212775155598 85.468 > 2 7 Rb 0.41629686446597 0.95007420755062 0.41212775155598 85.468 > 2 8 Rb 0.91629686446597 0.95007420755062 0.41212775155598 85.468 > 2 9 Rb 0.47347354611912 0.04121647839653 0.80760799977880 85.468 > 3 10 Rb 0.97347354611912 0.04121647839653 0.80760799977880 85.468 > 3 11 Rb 0.47347354611912 0.54121647839653 0.80760799977880 85.468 > 3 12 Rb 0.97347354611912 0.54121647839653 0.80760799977880 85.468 > 3 *13 Rb 0.31681521253973 0.33480468260055 0.10951509431801 85.468 > 4 14 Rb 0.81681521253973 0.33480468260055 0.10951509431801 85.468 > 4 15 Rb 0.31681521253973 0.83480468260055 0.10951509431801 85.468 > 4 16 Rb 0.81681521253973 0.83480468260055 0.10951509431801 85.468 > 4 17 Rb 0.41629686446597 0.29992579244938 0.91212775155598 85.468 > 5 18 Rb 0.91629686446597 0.29992579244938 0.91212775155598 85.468 > 5 19 Rb 0.41629686446597 0.79992579244938 0.91212775155598 85.468 > 5 20 Rb 0.91629686446597 0.79992579244938 0.91212775155598 85.468 > 5 *21 Rb 0.28365579791193 0.10258447652685 0.20162258441934 85.468 > 6 22 Rb 0.78365579791193 0.10258447652685 0.20162258441934 85.468 > 6 23 Rb 0.28365579791193 0.60258447652685 0.20162258441934 85.468 > 6 24 Rb 0.78365579791193 0.60258447652685 0.20162258441934 85.468 > 6 25 Rb 0.31681521253973 0.41519531739945 0.60951509431801 85.468 > 7 26 Rb 0.81681521253973 0.41519531739945 0.60951509431801 85.468 > 7 27 Rb 0.31681521253973 0.91519531739945 0.60951509431801 85.468 > 7 28 Rb 0.81681521253973 0.91519531739945 0.60951509431801 85.468 > 7 29 Rb 0.28365579791193 0.14741552347314 0.70162258441934 85.468 > 8 30 Rb 0.78365579791193 0.14741552347314 0.70162258441934 85.468 > 8 31 Rb 0.28365579791193 0.64741552347314 0.70162258441934 85.468 > 8 32 Rb 0.78365579791193 0.64741552347314 0.70162258441934 85.468 > 8 33 Rb 0.21634420208807 0.35258447652685 0.29837741558066 85.468 > 9 34 Rb 0.71634420208807 0.35258447652685 0.29837741558066 85.468 > 9 35 Rb 0.21634420208807 0.85258447652685 0.29837741558066 85.468 > 9 36 Rb 0.71634420208807 0.85258447652685 0.29837741558066 85.468 > 9 37 Rb 0.18318478746027 0.08480468260055 0.39048490568199 85.468 > 10 38 Rb 0.68318478746027 0.08480468260055 0.39048490568199 85.468 > 10 39 Rb 0.18318478746027 0.58480468260055 0.39048490568199 85.468 > 10 40 Rb 0.68318478746027 0.58480468260055 0.39048490568199 85.468 > 10 41 Rb 0.21634420208807 0.39741552347315 0.79837741558066 85.468 > 11 42 Rb 0.71634420208807 0.39741552347315 0.79837741558066 85.468 > 11 43 Rb 0.21634420208807 0.89741552347315 0.79837741558066 85.468 > 11 44 Rb 0.71634420208807 0.89741552347315 0.79837741558066 85.468 > 11 45 Rb 0.08370313553403 0.20007420755062 0.08787224844402 85.468 > 12 46 Rb 0.58370313553403 0.20007420755062 0.08787224844402 85.468 > 12 47 Rb 0.08370313553403 0.70007420755062 0.08787224844402 85.468 > 12 48 Rb 0.58370313553403 0.70007420755062 0.08787224844402 85.468 > 12 49 Rb 0.18318478746027 0.16519531739945 0.89048490568199 85.468 > 13 50 Rb 0.68318478746027 0.16519531739945 0.89048490568199 85.468 > 13 51 Rb 0.18318478746027 0.66519531739945 0.89048490568199 85.468 > 13 52 Rb 0.68318478746027 0.66519531739945 0.89048490568199 85.468 > 13 53 Rb 0.02652645388088 0.45878352160347 0.19239200022120 85.468 > 14 54 Rb 0.52652645388088 0.45878352160347 0.19239200022120 85.468 > 14 55 Rb 0.02652645388088 0.95878352160347 0.19239200022120 85.468 > 14 56 Rb 0.52652645388088 0.95878352160347 0.19239200022120 85.468 > 14 57 Rb 0.08370313553403 0.04992579244938 0.58787224844402 85.468 > 15 58 Rb 0.58370313553403 0.04992579244938 0.58787224844402 85.468 > 15 59 Rb 0.08370313553403 0.54992579244938 0.58787224844402 85.468 > 15 60 Rb 0.58370313553403 0.54992579244938 0.58787224844402 85.468 > 15 61 Rb 0.02652645388088 0.29121647839653 0.69239200022120 85.468 > 16 62 Rb 0.52652645388088 0.29121647839653 0.69239200022120 85.468 > 16 63 Rb 0.02652645388088 0.79121647839653 0.69239200022120 85.468 > 16 64 Rb 0.52652645388088 0.79121647839653 0.69239200022120 85.468 > 16 *65 Pb 0.37834187259297 0.06676026947783 0.00464594022239 207.200 > 17 66 Pb 0.87834187259297 0.06676026947783 0.00464594022239 207.200 > 17 67 Pb 0.37834187259297 0.56676026947783 0.00464594022239 207.200 > 17 68 Pb 0.87834187259297 0.56676026947783 0.00464594022239 207.200 > 17 69 Pb 0.37834187259297 0.18323973052217 0.50464594022239 207.200 > 18 70 Pb 0.87834187259297 0.18323973052217 0.50464594022239 207.200 > 18 71 Pb 0.37834187259297 0.68323973052217 0.50464594022239 207.200 > 18 72 Pb 0.87834187259297 0.68323973052217 0.50464594022239 207.200 > 18 73 Pb 0.12165812740703 0.31676026947783 0.49535405977761 207.200 > 19 74 Pb 0.62165812740703 0.31676026947783 0.49535405977761 207.200 > 19 75 Pb 0.12165812740703 0.81676026947783 0.49535405977761 207.200 > 19 76 Pb 0.62165812740703 0.81676026947783 0.49535405977761 207.200 > 19 77 Pb 0.12165812740703 0.43323973052217 0.99535405977761 207.200 > 20 78 Pb 0.62165812740703 0.43323973052217 0.99535405977761 207.200 > 20 79 Pb 0.12165812740703 0.93323973052217 0.99535405977761 207.200 > 20 80 Pb 0.62165812740703 0.93323973052217 0.99535405977761 207.200 > 20 *81 O 0.46807038597413 0.12198351295811 0.03234375531836 15.999 > 21 82 O 0.96807038597413 0.12198351295811 0.03234375531836 15.999 > 21 83 O 0.46807038597413 0.62198351295811 0.03234375531836 15.999 > 21 84 O 0.96807038597413 0.62198351295811 0.03234375531836 15.999 > 21 85 O 0.46807038597413 0.12801648704189 0.53234375531836 15.999 > 22 86 O 0.96807038597413 0.12801648704189 0.53234375531836 15.999 > 22 87 O 0.46807038597413 0.62801648704189 0.53234375531836 15.999 > 22 88 O 0.96807038597413 0.62801648704189 0.53234375531836 15.999 > 22 *89 O 0.38757956119171 0.49891893192010 0.17113303771440 15.999 > 23 90 O 0.88757956119171 0.49891893192010 0.17113303771440 15.999 > 23 91 O 0.38757956119171 0.99891893192010 0.17113303771440 15.999 > 23 92 O 0.88757956119171 0.99891893192010 0.17113303771440 15.999 > 23 *93 O 0.34524821487846 0.27125730211204 0.34823403079697 15.999 > 24 94 O 0.84524821487846 0.27125730211204 0.34823403079697 15.999 > 24 95 O 0.34524821487846 0.77125730211204 0.34823403079697 15.999 > 24 96 O 0.84524821487846 0.77125730211204 0.34823403079697 15.999 > 24 97 O 0.38757956119171 0.25108106807990 0.67113303771440 15.999 > 25 98 O 0.88757956119171 0.25108106807990 0.67113303771440 15.999 > 25 99 O 0.38757956119171 0.75108106807990 0.67113303771440 15.999 > 25 100 O 0.88757956119171 0.75108106807990 0.67113303771440 15.999 > 25 *101 O 0.31370612414790 0.07212919564044 0.46918420332205 15.999 > 26 102 O 0.81370612414790 0.07212919564044 0.46918420332205 15.999 > 26 103 O 0.31370612414790 0.57212919564044 0.46918420332205 15.999 > 26 104 O 0.81370612414790 0.57212919564044 0.46918420332205 15.999 > 26 105 O 0.34524821487846 0.47874269788796 0.84823403079697 15.999 > 27 106 O 0.84524821487846 0.47874269788796 0.84823403079697 15.999 > 27 107 O 0.34524821487846 0.97874269788796 0.84823403079697 15.999 > 27 108 O 0.84524821487846 0.97874269788796 0.84823403079697 15.999 > 27 109 O 0.18629387585210 0.32212919564044 0.03081579667795 15.999 > 28 110 O 0.68629387585210 0.32212919564044 0.03081579667795 15.999 > 28 111 O 0.18629387585210 0.82212919564044 0.03081579667795 15.999 > 28 112 O 0.68629387585210 0.82212919564044 0.03081579667795 15.999 > 28 113 O 0.31370612414790 0.17787080435956 0.96918420332205 15.999 > 29 114 O 0.81370612414790 0.17787080435956 0.96918420332205 15.999 > 29 115 O 0.31370612414790 0.67787080435956 0.96918420332205 15.999 > 29 116 O 0.81370612414790 0.67787080435956 0.96918420332205 15.999 > 29 117 O 0.15475178512154 0.02125730211204 0.15176596920303 15.999 > 30 118 O 0.65475178512154 0.02125730211204 0.15176596920303 15.999 > 30 119 O 0.15475178512154 0.52125730211204 0.15176596920303 15.999 > 30 120 O 0.65475178512154 0.52125730211204 0.15176596920303 15.999 > 30 121 O 0.18629387585210 0.42787080435956 0.53081579667795 15.999 > 31 122 O 0.68629387585210 0.42787080435956 0.53081579667795 15.999 > 31 123 O 0.18629387585210 0.92787080435956 0.53081579667795 15.999 > 31 124 O 0.68629387585210 0.92787080435956 0.53081579667795 15.999 > 31 125 O 0.11242043880829 0.24891893192010 0.32886696228560 15.999 > 32 126 O 0.61242043880829 0.24891893192010 0.32886696228560 15.999 > 32 127 O 0.11242043880829 0.74891893192010 0.32886696228560 15.999 > 32 128 O 0.61242043880829 0.74891893192010 0.32886696228560 15.999 > 32 129 O 0.15475178512154 0.22874269788796 0.65176596920303 15.999 > 33 130 O 0.65475178512154 0.22874269788796 0.65176596920303 15.999 > 33 131 O 0.15475178512154 0.72874269788796 0.65176596920303 15.999 > 33 132 O 0.65475178512154 0.72874269788796 0.65176596920303 15.999 > 33 133 O 0.11242043880829 0.00108106807990 0.82886696228560 15.999 > 34 134 O 0.61242043880829 0.00108106807990 0.82886696228560 15.999 > 34 135 O 0.11242043880829 0.50108106807990 0.82886696228560 15.999 > 34 136 O 0.61242043880829 0.50108106807990 0.82886696228560 15.999 > 34 137 O 0.03192961402587 0.37198351295811 0.46765624468164 15.999 > 35 138 O 0.53192961402587 0.37198351295811 0.46765624468164 15.999 > 35 139 O 0.03192961402587 0.87198351295811 0.46765624468164 15.999 > 35 140 O 0.53192961402587 0.87198351295811 0.46765624468164 15.999 > 35 141 O 0.03192961402587 0.37801648704189 0.96765624468164 15.999 > 36 142 O 0.53192961402587 0.37801648704189 0.96765624468164 15.999 > 36 143 O 0.03192961402587 0.87801648704189 0.96765624468164 15.999 > 36 144 O 0.53192961402587 0.87801648704189 0.96765624468164 15.999 > 36 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.2466423 0.0000000 0.0068294 0.0000000 3.2427610 0.0000000 0.0068359 0.0000000 3.3149999 -------------------------- Born effective charges -------------------------- 1 Rb 1.2233249 0.1981046 -0.0663593 0.1584367 1.0509476 0.1487628 -0.0283832 0.1802887 1.2589918 2 Rb 1.1206379 -0.1384668 -0.0046499 -0.0920028 1.3664514 0.0037599 0.0213802 -0.0556024 1.1113967 3 Rb 1.2233249 -0.1981046 -0.0663593 -0.1584367 1.0509476 -0.1487628 -0.0283832 -0.1802887 1.2589918 4 Rb 1.1493287 0.0938230 0.0469235 0.0677993 1.2708166 0.0283544 0.0099508 -0.0264098 1.1690786 5 Rb 1.1206379 0.1384668 -0.0046499 0.0920028 1.3664514 -0.0037599 0.0213802 0.0556024 1.1113967 6 Rb 1.2596250 0.0133396 -0.0103586 0.0574687 1.0336058 0.0685357 -0.0247596 0.1227015 1.2770519 7 Rb 1.1493287 -0.0938230 0.0469235 -0.0677993 1.2708166 -0.0283544 0.0099508 0.0264098 1.1690786 8 Rb 1.2596250 -0.0133396 -0.0103586 -0.0574687 1.0336058 -0.0685357 -0.0247596 -0.1227015 1.2770519 9 Rb 1.2596250 -0.0133396 -0.0103586 -0.0574687 1.0336058 -0.0685357 -0.0247596 -0.1227015 1.2770519 10 Rb 1.1493287 -0.0938230 0.0469235 -0.0677993 1.2708166 -0.0283544 0.0099508 0.0264098 1.1690786 11 Rb 1.2596250 0.0133396 -0.0103586 0.0574687 1.0336058 0.0685357 -0.0247596 0.1227015 1.2770519 12 Rb 1.1206379 0.1384668 -0.0046499 0.0920028 1.3664514 -0.0037599 0.0213802 0.0556024 1.1113967 13 Rb 1.1493287 0.0938230 0.0469235 0.0677993 1.2708166 0.0283544 0.0099508 -0.0264098 1.1690786 14 Rb 1.2233249 -0.1981046 -0.0663593 -0.1584367 1.0509476 -0.1487628 -0.0283832 -0.1802887 1.2589918 15 Rb 1.1206379 -0.1384668 -0.0046499 -0.0920028 1.3664514 0.0037599 0.0213802 -0.0556024 1.1113967 16 Rb 1.2233249 0.1981046 -0.0663593 0.1584367 1.0509476 0.1487628 -0.0283832 0.1802887 1.2589918 17 Pb 2.6501415 -0.0454739 -0.0049614 -0.0374302 2.6576753 -0.0570098 -0.0018318 -0.0308720 2.7578446 18 Pb 2.6501415 0.0454739 -0.0049614 0.0374302 2.6576753 0.0570098 -0.0018318 0.0308720 2.7578446 19 Pb 2.6501415 0.0454739 -0.0049614 0.0374302 2.6576753 0.0570098 -0.0018318 0.0308720 2.7578446 20 Pb 2.6501415 -0.0454739 -0.0049614 -0.0374302 2.6576753 -0.0570098 -0.0018318 -0.0308720 2.7578446 21 O -2.2727294 -0.2821850 -0.0919541 -0.3171951 -1.6674611 -0.0094968 -0.1116843 -0.0156812 -1.5481961 22 O -2.2727294 0.2821850 -0.0919541 0.3171951 -1.6674611 0.0094968 -0.1116843 0.0156812 -1.5481961 23 O -1.6031906 -0.1008007 0.2482326 -0.1489584 -1.7455108 0.4517409 0.2696009 0.3747517 -2.1929218 24 O -1.5259387 0.0318404 -0.0865886 0.0489719 -1.9501074 0.5296453 -0.0753555 0.4476335 -2.2040540 25 O -1.6031906 0.1008007 0.2482326 0.1489584 -1.7455108 -0.4517409 0.2696009 -0.3747517 -2.1929218 26 O -2.0011993 -0.4832065 -0.0302841 -0.5205998 -2.0164174 -0.1065048 -0.0589175 -0.0742783 -1.6291918 27 O -1.5259387 -0.0318404 -0.0865886 -0.0489719 -1.9501074 -0.5296453 -0.0753555 -0.4476335 -2.2040540 28 O -2.0011993 0.4832065 -0.0302841 0.5205998 -2.0164174 0.1065048 -0.0589175 0.0742783 -1.6291918 29 O -2.0011993 0.4832065 -0.0302841 0.5205998 -2.0164174 0.1065048 -0.0589175 0.0742783 -1.6291918 30 O -1.5259387 -0.0318404 -0.0865886 -0.0489719 -1.9501074 -0.5296453 -0.0753555 -0.4476335 -2.2040540 31 O -2.0011993 -0.4832065 -0.0302841 -0.5205998 -2.0164174 -0.1065048 -0.0589175 -0.0742783 -1.6291918 32 O -1.6031906 0.1008007 0.2482326 0.1489584 -1.7455108 -0.4517409 0.2696009 -0.3747517 -2.1929218 33 O -1.5259387 0.0318404 -0.0865886 0.0489719 -1.9501074 0.5296453 -0.0753555 0.4476335 -2.2040540 34 O -1.6031906 -0.1008007 0.2482326 -0.1489584 -1.7455108 0.4517409 0.2696009 0.3747517 -2.1929218 35 O -2.2727294 0.2821850 -0.0919541 0.3171951 -1.6674611 0.0094968 -0.1116843 0.0156812 -1.5481961 36 O -2.2727294 -0.2821850 -0.0919541 -0.3171951 -1.6674611 -0.0094968 -0.1116843 -0.0156812 -1.5481961 ---------------------------------------------------------------------------- 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) 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: 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) 234 eigenvectors found. (2) Complementary block size: 34 (2) Compute compressed projector. (2) Use standard solver. (2) 16 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) 232 eigenvectors found. (2) Block: 500 / 500 (2) 234 eigenvectors found. (2) Complementary block size: 34 (2) Compute compressed projector. (2) Use standard solver. (2) 16 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: 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) 243 eigenvectors found. (2) Complementary block size: 16 (2) Compute compressed projector. (2) Use standard solver. (2) 7 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, 7), data: (500, 16) @ (16, 7) |-- (250, 243), 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, 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, 16), data: (500, 34) @ (34, 16) |-- (250, 234), 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, 16), data: (500, 34) @ (34, 16) |-- (250, 234), data: True |-- (250, 232), 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 ----- Solver_atoms: 1 -- 144 / 144 Time (Solver_compr_matrix_reshape): 0.004 Solver_block: 100 / 1120 - Time: 1.863 Solver_block: 200 / 1120 - Time: 1.651 Solver_block: 300 / 1120 - Time: 1.647 Solver_block: 400 / 1120 - Time: 1.662 Solver_block: 500 / 1120 - Time: 1.657 Solver_block: 600 / 1120 - Time: 1.646 Solver_block: 700 / 1120 - Time: 1.650 Solver_block: 800 / 1120 - Time: 1.649 Solver_block: 900 / 1120 - Time: 1.650 Solver_block: 1000 / 1120 - Time: 1.665 Solver_block: 1100 / 1120 - Time: 1.650 Solver_block: 1120 / 1120 - Time: 0.525 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 19.434 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (zz) 0.00000000 (zz) 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) 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: 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) 234 eigenvectors found. (2) Complementary block size: 34 (2) Compute compressed projector. (2) Use standard solver. (2) 16 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) 232 eigenvectors found. (2) Block: 500 / 500 (2) 234 eigenvectors found. (2) Complementary block size: 34 (2) Compute compressed projector. (2) Use standard solver. (2) 16 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: 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) 243 eigenvectors found. (2) Complementary block size: 16 (2) Compute compressed projector. (2) Use standard solver. (2) 7 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, 7), data: (500, 16) @ (16, 7) |-- (250, 243), 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, 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, 16), data: (500, 34) @ (34, 16) |-- (250, 234), 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, 16), data: (500, 34) @ (34, 16) |-- (250, 234), data: True |-- (250, 232), 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 Max drift after symmetrization by symfc projector: 0.00000000 (zz) 0.00000000 (zz) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-09 02:26:40]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-09 02:26:41]------------------------- 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 11.235114019497322 0.000000000000000 0.000000000000000 b 0.000000000000000 7.131313410000000 0.000000000000000 c -3.971564147674650 0.000000000000000 10.732546779931786 Atomic positions (fractional): 1 Rb 0.94694709223824 0.41756704320694 0.30760799977880 85.468 2 Rb 0.83259372893194 0.90014841510124 0.41212775155598 85.468 3 Rb 0.94694709223824 0.08243295679306 0.80760799977880 85.468 4 Rb 0.63363042507947 0.66960936520110 0.10951509431801 85.468 5 Rb 0.83259372893194 0.59985158489876 0.91212775155598 85.468 6 Rb 0.56731159582386 0.20516895305371 0.20162258441934 85.468 7 Rb 0.63363042507947 0.83039063479890 0.60951509431801 85.468 8 Rb 0.56731159582386 0.29483104694629 0.70162258441934 85.468 9 Rb 0.43268840417614 0.70516895305371 0.29837741558066 85.468 10 Rb 0.36636957492053 0.16960936520111 0.39048490568199 85.468 11 Rb 0.43268840417614 0.79483104694629 0.79837741558066 85.468 12 Rb 0.16740627106806 0.40014841510124 0.08787224844402 85.468 13 Rb 0.36636957492053 0.33039063479890 0.89048490568199 85.468 14 Rb 0.05305290776176 0.91756704320694 0.19239200022120 85.468 15 Rb 0.16740627106806 0.09985158489876 0.58787224844402 85.468 16 Rb 0.05305290776176 0.58243295679306 0.69239200022120 85.468 17 Pb 0.75668374518593 0.13352053895566 0.00464594022239 207.200 18 Pb 0.75668374518593 0.36647946104434 0.50464594022239 207.200 19 Pb 0.24331625481407 0.63352053895566 0.49535405977761 207.200 20 Pb 0.24331625481407 0.86647946104434 0.99535405977761 207.200 21 O 0.93614077194827 0.24396702591622 0.03234375531836 15.999 22 O 0.93614077194827 0.25603297408378 0.53234375531836 15.999 23 O 0.77515912238342 0.99783786384020 0.17113303771440 15.999 24 O 0.69049642975693 0.54251460422408 0.34823403079697 15.999 25 O 0.77515912238342 0.50216213615980 0.67113303771440 15.999 26 O 0.62741224829580 0.14425839128088 0.46918420332205 15.999 27 O 0.69049642975693 0.95748539577592 0.84823403079697 15.999 28 O 0.37258775170420 0.64425839128088 0.03081579667795 15.999 29 O 0.62741224829580 0.35574160871912 0.96918420332205 15.999 30 O 0.30950357024308 0.04251460422408 0.15176596920303 15.999 31 O 0.37258775170420 0.85574160871912 0.53081579667795 15.999 32 O 0.22484087761658 0.49783786384020 0.32886696228560 15.999 33 O 0.30950357024308 0.45748539577592 0.65176596920303 15.999 34 O 0.22484087761658 0.00216213615980 0.82886696228560 15.999 35 O 0.06385922805173 0.74396702591622 0.46765624468164 15.999 36 O 0.06385922805173 0.75603297408378 0.96765624468164 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 22.470228038994644 0.000000000000000 0.000000000000000 b 0.000000000000000 14.262626819999999 0.000000000000000 c -3.971564147674650 0.000000000000000 10.732546779931786 Atomic positions (fractional): 1 Rb 0.47347354611912 0.20878352160347 0.30760799977880 85.468 > 1 2 Rb 0.97347354611912 0.20878352160347 0.30760799977880 85.468 > 1 3 Rb 0.47347354611912 0.70878352160347 0.30760799977880 85.468 > 1 4 Rb 0.97347354611912 0.70878352160347 0.30760799977880 85.468 > 1 5 Rb 0.41629686446597 0.45007420755062 0.41212775155598 85.468 > 5 6 Rb 0.91629686446597 0.45007420755062 0.41212775155598 85.468 > 5 7 Rb 0.41629686446597 0.95007420755062 0.41212775155598 85.468 > 5 8 Rb 0.91629686446597 0.95007420755062 0.41212775155598 85.468 > 5 9 Rb 0.47347354611912 0.04121647839653 0.80760799977880 85.468 > 9 10 Rb 0.97347354611912 0.04121647839653 0.80760799977880 85.468 > 9 11 Rb 0.47347354611912 0.54121647839653 0.80760799977880 85.468 > 9 12 Rb 0.97347354611912 0.54121647839653 0.80760799977880 85.468 > 9 13 Rb 0.31681521253973 0.33480468260055 0.10951509431801 85.468 > 13 14 Rb 0.81681521253973 0.33480468260055 0.10951509431801 85.468 > 13 15 Rb 0.31681521253973 0.83480468260055 0.10951509431801 85.468 > 13 16 Rb 0.81681521253973 0.83480468260055 0.10951509431801 85.468 > 13 17 Rb 0.41629686446597 0.29992579244938 0.91212775155598 85.468 > 17 18 Rb 0.91629686446597 0.29992579244938 0.91212775155598 85.468 > 17 19 Rb 0.41629686446597 0.79992579244938 0.91212775155598 85.468 > 17 20 Rb 0.91629686446597 0.79992579244938 0.91212775155598 85.468 > 17 21 Rb 0.28365579791193 0.10258447652685 0.20162258441934 85.468 > 21 22 Rb 0.78365579791193 0.10258447652685 0.20162258441934 85.468 > 21 23 Rb 0.28365579791193 0.60258447652685 0.20162258441934 85.468 > 21 24 Rb 0.78365579791193 0.60258447652685 0.20162258441934 85.468 > 21 25 Rb 0.31681521253973 0.41519531739945 0.60951509431801 85.468 > 25 26 Rb 0.81681521253973 0.41519531739945 0.60951509431801 85.468 > 25 27 Rb 0.31681521253973 0.91519531739945 0.60951509431801 85.468 > 25 28 Rb 0.81681521253973 0.91519531739945 0.60951509431801 85.468 > 25 29 Rb 0.28365579791193 0.14741552347314 0.70162258441934 85.468 > 29 30 Rb 0.78365579791193 0.14741552347314 0.70162258441934 85.468 > 29 31 Rb 0.28365579791193 0.64741552347314 0.70162258441934 85.468 > 29 32 Rb 0.78365579791193 0.64741552347314 0.70162258441934 85.468 > 29 33 Rb 0.21634420208807 0.35258447652685 0.29837741558066 85.468 > 33 34 Rb 0.71634420208807 0.35258447652685 0.29837741558066 85.468 > 33 35 Rb 0.21634420208807 0.85258447652685 0.29837741558066 85.468 > 33 36 Rb 0.71634420208807 0.85258447652685 0.29837741558066 85.468 > 33 37 Rb 0.18318478746027 0.08480468260055 0.39048490568199 85.468 > 37 38 Rb 0.68318478746027 0.08480468260055 0.39048490568199 85.468 > 37 39 Rb 0.18318478746027 0.58480468260055 0.39048490568199 85.468 > 37 40 Rb 0.68318478746027 0.58480468260055 0.39048490568199 85.468 > 37 41 Rb 0.21634420208807 0.39741552347315 0.79837741558066 85.468 > 41 42 Rb 0.71634420208807 0.39741552347315 0.79837741558066 85.468 > 41 43 Rb 0.21634420208807 0.89741552347315 0.79837741558066 85.468 > 41 44 Rb 0.71634420208807 0.89741552347315 0.79837741558066 85.468 > 41 45 Rb 0.08370313553403 0.20007420755062 0.08787224844402 85.468 > 45 46 Rb 0.58370313553403 0.20007420755062 0.08787224844402 85.468 > 45 47 Rb 0.08370313553403 0.70007420755062 0.08787224844402 85.468 > 45 48 Rb 0.58370313553403 0.70007420755062 0.08787224844402 85.468 > 45 49 Rb 0.18318478746027 0.16519531739945 0.89048490568199 85.468 > 49 50 Rb 0.68318478746027 0.16519531739945 0.89048490568199 85.468 > 49 51 Rb 0.18318478746027 0.66519531739945 0.89048490568199 85.468 > 49 52 Rb 0.68318478746027 0.66519531739945 0.89048490568199 85.468 > 49 53 Rb 0.02652645388088 0.45878352160347 0.19239200022120 85.468 > 53 54 Rb 0.52652645388088 0.45878352160347 0.19239200022120 85.468 > 53 55 Rb 0.02652645388088 0.95878352160347 0.19239200022120 85.468 > 53 56 Rb 0.52652645388088 0.95878352160347 0.19239200022120 85.468 > 53 57 Rb 0.08370313553403 0.04992579244938 0.58787224844402 85.468 > 57 58 Rb 0.58370313553403 0.04992579244938 0.58787224844402 85.468 > 57 59 Rb 0.08370313553403 0.54992579244938 0.58787224844402 85.468 > 57 60 Rb 0.58370313553403 0.54992579244938 0.58787224844402 85.468 > 57 61 Rb 0.02652645388088 0.29121647839653 0.69239200022120 85.468 > 61 62 Rb 0.52652645388088 0.29121647839653 0.69239200022120 85.468 > 61 63 Rb 0.02652645388088 0.79121647839653 0.69239200022120 85.468 > 61 64 Rb 0.52652645388088 0.79121647839653 0.69239200022120 85.468 > 61 65 Pb 0.37834187259297 0.06676026947783 0.00464594022239 207.200 > 65 66 Pb 0.87834187259297 0.06676026947783 0.00464594022239 207.200 > 65 67 Pb 0.37834187259297 0.56676026947783 0.00464594022239 207.200 > 65 68 Pb 0.87834187259297 0.56676026947783 0.00464594022239 207.200 > 65 69 Pb 0.37834187259297 0.18323973052217 0.50464594022239 207.200 > 69 70 Pb 0.87834187259297 0.18323973052217 0.50464594022239 207.200 > 69 71 Pb 0.37834187259297 0.68323973052217 0.50464594022239 207.200 > 69 72 Pb 0.87834187259297 0.68323973052217 0.50464594022239 207.200 > 69 73 Pb 0.12165812740703 0.31676026947783 0.49535405977761 207.200 > 73 74 Pb 0.62165812740703 0.31676026947783 0.49535405977761 207.200 > 73 75 Pb 0.12165812740703 0.81676026947783 0.49535405977761 207.200 > 73 76 Pb 0.62165812740703 0.81676026947783 0.49535405977761 207.200 > 73 77 Pb 0.12165812740703 0.43323973052217 0.99535405977761 207.200 > 77 78 Pb 0.62165812740703 0.43323973052217 0.99535405977761 207.200 > 77 79 Pb 0.12165812740703 0.93323973052217 0.99535405977761 207.200 > 77 80 Pb 0.62165812740703 0.93323973052217 0.99535405977761 207.200 > 77 81 O 0.46807038597413 0.12198351295811 0.03234375531836 15.999 > 81 82 O 0.96807038597413 0.12198351295811 0.03234375531836 15.999 > 81 83 O 0.46807038597413 0.62198351295811 0.03234375531836 15.999 > 81 84 O 0.96807038597413 0.62198351295811 0.03234375531836 15.999 > 81 85 O 0.46807038597413 0.12801648704189 0.53234375531836 15.999 > 85 86 O 0.96807038597413 0.12801648704189 0.53234375531836 15.999 > 85 87 O 0.46807038597413 0.62801648704189 0.53234375531836 15.999 > 85 88 O 0.96807038597413 0.62801648704189 0.53234375531836 15.999 > 85 89 O 0.38757956119171 0.49891893192010 0.17113303771440 15.999 > 89 90 O 0.88757956119171 0.49891893192010 0.17113303771440 15.999 > 89 91 O 0.38757956119171 0.99891893192010 0.17113303771440 15.999 > 89 92 O 0.88757956119171 0.99891893192010 0.17113303771440 15.999 > 89 93 O 0.34524821487846 0.27125730211204 0.34823403079697 15.999 > 93 94 O 0.84524821487846 0.27125730211204 0.34823403079697 15.999 > 93 95 O 0.34524821487846 0.77125730211204 0.34823403079697 15.999 > 93 96 O 0.84524821487846 0.77125730211204 0.34823403079697 15.999 > 93 97 O 0.38757956119171 0.25108106807990 0.67113303771440 15.999 > 97 98 O 0.88757956119171 0.25108106807990 0.67113303771440 15.999 > 97 99 O 0.38757956119171 0.75108106807990 0.67113303771440 15.999 > 97 100 O 0.88757956119171 0.75108106807990 0.67113303771440 15.999 > 97 101 O 0.31370612414790 0.07212919564044 0.46918420332205 15.999 > 101 102 O 0.81370612414790 0.07212919564044 0.46918420332205 15.999 > 101 103 O 0.31370612414790 0.57212919564044 0.46918420332205 15.999 > 101 104 O 0.81370612414790 0.57212919564044 0.46918420332205 15.999 > 101 105 O 0.34524821487846 0.47874269788796 0.84823403079697 15.999 > 105 106 O 0.84524821487846 0.47874269788796 0.84823403079697 15.999 > 105 107 O 0.34524821487846 0.97874269788796 0.84823403079697 15.999 > 105 108 O 0.84524821487846 0.97874269788796 0.84823403079697 15.999 > 105 109 O 0.18629387585210 0.32212919564044 0.03081579667795 15.999 > 109 110 O 0.68629387585210 0.32212919564044 0.03081579667795 15.999 > 109 111 O 0.18629387585210 0.82212919564044 0.03081579667795 15.999 > 109 112 O 0.68629387585210 0.82212919564044 0.03081579667795 15.999 > 109 113 O 0.31370612414790 0.17787080435956 0.96918420332205 15.999 > 113 114 O 0.81370612414790 0.17787080435956 0.96918420332205 15.999 > 113 115 O 0.31370612414790 0.67787080435956 0.96918420332205 15.999 > 113 116 O 0.81370612414790 0.67787080435956 0.96918420332205 15.999 > 113 117 O 0.15475178512154 0.02125730211204 0.15176596920303 15.999 > 117 118 O 0.65475178512154 0.02125730211204 0.15176596920303 15.999 > 117 119 O 0.15475178512154 0.52125730211204 0.15176596920303 15.999 > 117 120 O 0.65475178512154 0.52125730211204 0.15176596920303 15.999 > 117 121 O 0.18629387585210 0.42787080435956 0.53081579667795 15.999 > 121 122 O 0.68629387585210 0.42787080435956 0.53081579667795 15.999 > 121 123 O 0.18629387585210 0.92787080435956 0.53081579667795 15.999 > 121 124 O 0.68629387585210 0.92787080435956 0.53081579667795 15.999 > 121 125 O 0.11242043880829 0.24891893192010 0.32886696228560 15.999 > 125 126 O 0.61242043880829 0.24891893192010 0.32886696228560 15.999 > 125 127 O 0.11242043880829 0.74891893192010 0.32886696228560 15.999 > 125 128 O 0.61242043880829 0.74891893192010 0.32886696228560 15.999 > 125 129 O 0.15475178512154 0.22874269788796 0.65176596920303 15.999 > 129 130 O 0.65475178512154 0.22874269788796 0.65176596920303 15.999 > 129 131 O 0.15475178512154 0.72874269788796 0.65176596920303 15.999 > 129 132 O 0.65475178512154 0.72874269788796 0.65176596920303 15.999 > 129 133 O 0.11242043880829 0.00108106807990 0.82886696228560 15.999 > 133 134 O 0.61242043880829 0.00108106807990 0.82886696228560 15.999 > 133 135 O 0.11242043880829 0.50108106807990 0.82886696228560 15.999 > 133 136 O 0.61242043880829 0.50108106807990 0.82886696228560 15.999 > 133 137 O 0.03192961402587 0.37198351295811 0.46765624468164 15.999 > 137 138 O 0.53192961402587 0.37198351295811 0.46765624468164 15.999 > 137 139 O 0.03192961402587 0.87198351295811 0.46765624468164 15.999 > 137 140 O 0.53192961402587 0.87198351295811 0.46765624468164 15.999 > 137 141 O 0.03192961402587 0.37801648704189 0.96765624468164 15.999 > 141 142 O 0.53192961402587 0.37801648704189 0.96765624468164 15.999 > 141 143 O 0.03192961402587 0.87801648704189 0.96765624468164 15.999 > 141 144 O 0.53192961402587 0.87801648704189 0.96765624468164 15.999 > 141 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.2466423 0.0000000 0.0068294 0.0000000 3.2427610 0.0000000 0.0068359 0.0000000 3.3149999 -------------------------- Born effective charges -------------------------- 1 Rb 1.2233249 0.1981046 -0.0663593 0.1584367 1.0509476 0.1487628 -0.0283832 0.1802887 1.2589918 2 Rb 1.1206379 -0.1384668 -0.0046499 -0.0920028 1.3664514 0.0037599 0.0213802 -0.0556024 1.1113967 3 Rb 1.2233249 -0.1981046 -0.0663593 -0.1584367 1.0509476 -0.1487628 -0.0283832 -0.1802887 1.2589918 4 Rb 1.1493287 0.0938230 0.0469235 0.0677993 1.2708166 0.0283544 0.0099508 -0.0264098 1.1690786 5 Rb 1.1206379 0.1384668 -0.0046499 0.0920028 1.3664514 -0.0037599 0.0213802 0.0556024 1.1113967 6 Rb 1.2596250 0.0133396 -0.0103586 0.0574687 1.0336058 0.0685357 -0.0247596 0.1227015 1.2770519 7 Rb 1.1493287 -0.0938230 0.0469235 -0.0677993 1.2708166 -0.0283544 0.0099508 0.0264098 1.1690786 8 Rb 1.2596250 -0.0133396 -0.0103586 -0.0574687 1.0336058 -0.0685357 -0.0247596 -0.1227015 1.2770519 9 Rb 1.2596250 -0.0133396 -0.0103586 -0.0574687 1.0336058 -0.0685357 -0.0247596 -0.1227015 1.2770519 10 Rb 1.1493287 -0.0938230 0.0469235 -0.0677993 1.2708166 -0.0283544 0.0099508 0.0264098 1.1690786 11 Rb 1.2596250 0.0133396 -0.0103586 0.0574687 1.0336058 0.0685357 -0.0247596 0.1227015 1.2770519 12 Rb 1.1206379 0.1384668 -0.0046499 0.0920028 1.3664514 -0.0037599 0.0213802 0.0556024 1.1113967 13 Rb 1.1493287 0.0938230 0.0469235 0.0677993 1.2708166 0.0283544 0.0099508 -0.0264098 1.1690786 14 Rb 1.2233249 -0.1981046 -0.0663593 -0.1584367 1.0509476 -0.1487628 -0.0283832 -0.1802887 1.2589918 15 Rb 1.1206379 -0.1384668 -0.0046499 -0.0920028 1.3664514 0.0037599 0.0213802 -0.0556024 1.1113967 16 Rb 1.2233249 0.1981046 -0.0663593 0.1584367 1.0509476 0.1487628 -0.0283832 0.1802887 1.2589918 17 Pb 2.6501415 -0.0454739 -0.0049614 -0.0374302 2.6576753 -0.0570098 -0.0018318 -0.0308720 2.7578446 18 Pb 2.6501415 0.0454739 -0.0049614 0.0374302 2.6576753 0.0570098 -0.0018318 0.0308720 2.7578446 19 Pb 2.6501415 0.0454739 -0.0049614 0.0374302 2.6576753 0.0570098 -0.0018318 0.0308720 2.7578446 20 Pb 2.6501415 -0.0454739 -0.0049614 -0.0374302 2.6576753 -0.0570098 -0.0018318 -0.0308720 2.7578446 21 O -2.2727294 -0.2821850 -0.0919541 -0.3171951 -1.6674611 -0.0094968 -0.1116843 -0.0156812 -1.5481961 22 O -2.2727294 0.2821850 -0.0919541 0.3171951 -1.6674611 0.0094968 -0.1116843 0.0156812 -1.5481961 23 O -1.6031906 -0.1008007 0.2482326 -0.1489584 -1.7455108 0.4517409 0.2696009 0.3747517 -2.1929218 24 O -1.5259387 0.0318404 -0.0865886 0.0489719 -1.9501074 0.5296453 -0.0753555 0.4476335 -2.2040540 25 O -1.6031906 0.1008007 0.2482326 0.1489584 -1.7455108 -0.4517409 0.2696009 -0.3747517 -2.1929218 26 O -2.0011993 -0.4832065 -0.0302841 -0.5205998 -2.0164174 -0.1065048 -0.0589175 -0.0742783 -1.6291918 27 O -1.5259387 -0.0318404 -0.0865886 -0.0489719 -1.9501074 -0.5296453 -0.0753555 -0.4476335 -2.2040540 28 O -2.0011993 0.4832065 -0.0302841 0.5205998 -2.0164174 0.1065048 -0.0589175 0.0742783 -1.6291918 29 O -2.0011993 0.4832065 -0.0302841 0.5205998 -2.0164174 0.1065048 -0.0589175 0.0742783 -1.6291918 30 O -1.5259387 -0.0318404 -0.0865886 -0.0489719 -1.9501074 -0.5296453 -0.0753555 -0.4476335 -2.2040540 31 O -2.0011993 -0.4832065 -0.0302841 -0.5205998 -2.0164174 -0.1065048 -0.0589175 -0.0742783 -1.6291918 32 O -1.6031906 0.1008007 0.2482326 0.1489584 -1.7455108 -0.4517409 0.2696009 -0.3747517 -2.1929218 33 O -1.5259387 0.0318404 -0.0865886 0.0489719 -1.9501074 0.5296453 -0.0753555 0.4476335 -2.2040540 34 O -1.6031906 -0.1008007 0.2482326 -0.1489584 -1.7455108 0.4517409 0.2696009 0.3747517 -2.1929218 35 O -2.2727294 0.2821850 -0.0919541 0.3171951 -1.6674611 0.0094968 -0.1116843 0.0156812 -1.5481961 36 O -2.2727294 -0.2821850 -0.0919541 -0.3171951 -1.6674611 -0.0094968 -0.1116843 -0.0156812 -1.5481961 ---------------------------------------------------------------------------- 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] [-0.0035 0.0000 0.0094] [ 0.0035 0.0000 -0.0094] Computing fc3[ 5, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0035 0.0000 0.0094] [ 0.0035 0.0000 -0.0094] Computing fc3[ 13, 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] [-0.0035 0.0000 0.0094] [ 0.0035 0.0000 -0.0094] Computing fc3[ 21, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0035 0.0000 0.0094] [ 0.0035 0.0000 -0.0094] 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] [-0.0035 0.0000 0.0094] [ 0.0035 0.0000 -0.0094] 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] [-0.0035 0.0000 0.0094] [ 0.0035 0.0000 -0.0094] Computing fc3[ 89, 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] [-0.0035 0.0000 0.0094] [ 0.0035 0.0000 -0.0094] Computing fc3[ 93, 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] [-0.0035 0.0000 0.0094] [ 0.0035 0.0000 -0.0094] Computing fc3[ 101, 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] [-0.0035 0.0000 0.0094] [ 0.0035 0.0000 -0.0094] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000000 (xxx) 0.00000000 (xxx) 0.00000000 (xxx) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000001 (yz) 0.00000001 (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 2026-01-09 02:27:43]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-09 02:27:43]------------------------- 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 11.235114019497322 0.000000000000000 0.000000000000000 b 0.000000000000000 7.131313410000000 0.000000000000000 c -3.971564147674650 0.000000000000000 10.732546779931786 Atomic positions (fractional): 1 Rb 0.94694709223824 0.41756704320694 0.30760799977880 85.468 2 Rb 0.83259372893194 0.90014841510124 0.41212775155598 85.468 3 Rb 0.94694709223824 0.08243295679306 0.80760799977880 85.468 4 Rb 0.63363042507947 0.66960936520110 0.10951509431801 85.468 5 Rb 0.83259372893194 0.59985158489876 0.91212775155598 85.468 6 Rb 0.56731159582386 0.20516895305371 0.20162258441934 85.468 7 Rb 0.63363042507947 0.83039063479890 0.60951509431801 85.468 8 Rb 0.56731159582386 0.29483104694629 0.70162258441934 85.468 9 Rb 0.43268840417614 0.70516895305371 0.29837741558066 85.468 10 Rb 0.36636957492053 0.16960936520111 0.39048490568199 85.468 11 Rb 0.43268840417614 0.79483104694629 0.79837741558066 85.468 12 Rb 0.16740627106806 0.40014841510124 0.08787224844402 85.468 13 Rb 0.36636957492053 0.33039063479890 0.89048490568199 85.468 14 Rb 0.05305290776176 0.91756704320694 0.19239200022120 85.468 15 Rb 0.16740627106806 0.09985158489876 0.58787224844402 85.468 16 Rb 0.05305290776176 0.58243295679306 0.69239200022120 85.468 17 Pb 0.75668374518593 0.13352053895566 0.00464594022239 207.200 18 Pb 0.75668374518593 0.36647946104434 0.50464594022239 207.200 19 Pb 0.24331625481407 0.63352053895566 0.49535405977761 207.200 20 Pb 0.24331625481407 0.86647946104434 0.99535405977761 207.200 21 O 0.93614077194827 0.24396702591622 0.03234375531836 15.999 22 O 0.93614077194827 0.25603297408378 0.53234375531836 15.999 23 O 0.77515912238342 0.99783786384020 0.17113303771440 15.999 24 O 0.69049642975693 0.54251460422408 0.34823403079697 15.999 25 O 0.77515912238342 0.50216213615980 0.67113303771440 15.999 26 O 0.62741224829580 0.14425839128088 0.46918420332205 15.999 27 O 0.69049642975693 0.95748539577592 0.84823403079697 15.999 28 O 0.37258775170420 0.64425839128088 0.03081579667795 15.999 29 O 0.62741224829580 0.35574160871912 0.96918420332205 15.999 30 O 0.30950357024308 0.04251460422408 0.15176596920303 15.999 31 O 0.37258775170420 0.85574160871912 0.53081579667795 15.999 32 O 0.22484087761658 0.49783786384020 0.32886696228560 15.999 33 O 0.30950357024308 0.45748539577592 0.65176596920303 15.999 34 O 0.22484087761658 0.00216213615980 0.82886696228560 15.999 35 O 0.06385922805173 0.74396702591622 0.46765624468164 15.999 36 O 0.06385922805173 0.75603297408378 0.96765624468164 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 22.470228038994644 0.000000000000000 0.000000000000000 b 0.000000000000000 14.262626819999999 0.000000000000000 c -3.971564147674650 0.000000000000000 10.732546779931786 Atomic positions (fractional): 1 Rb 0.47347354611912 0.20878352160347 0.30760799977880 85.468 > 1 2 Rb 0.97347354611912 0.20878352160347 0.30760799977880 85.468 > 1 3 Rb 0.47347354611912 0.70878352160347 0.30760799977880 85.468 > 1 4 Rb 0.97347354611912 0.70878352160347 0.30760799977880 85.468 > 1 5 Rb 0.41629686446597 0.45007420755062 0.41212775155598 85.468 > 5 6 Rb 0.91629686446597 0.45007420755062 0.41212775155598 85.468 > 5 7 Rb 0.41629686446597 0.95007420755062 0.41212775155598 85.468 > 5 8 Rb 0.91629686446597 0.95007420755062 0.41212775155598 85.468 > 5 9 Rb 0.47347354611912 0.04121647839653 0.80760799977880 85.468 > 9 10 Rb 0.97347354611912 0.04121647839653 0.80760799977880 85.468 > 9 11 Rb 0.47347354611912 0.54121647839653 0.80760799977880 85.468 > 9 12 Rb 0.97347354611912 0.54121647839653 0.80760799977880 85.468 > 9 13 Rb 0.31681521253973 0.33480468260055 0.10951509431801 85.468 > 13 14 Rb 0.81681521253973 0.33480468260055 0.10951509431801 85.468 > 13 15 Rb 0.31681521253973 0.83480468260055 0.10951509431801 85.468 > 13 16 Rb 0.81681521253973 0.83480468260055 0.10951509431801 85.468 > 13 17 Rb 0.41629686446597 0.29992579244938 0.91212775155598 85.468 > 17 18 Rb 0.91629686446597 0.29992579244938 0.91212775155598 85.468 > 17 19 Rb 0.41629686446597 0.79992579244938 0.91212775155598 85.468 > 17 20 Rb 0.91629686446597 0.79992579244938 0.91212775155598 85.468 > 17 21 Rb 0.28365579791193 0.10258447652685 0.20162258441934 85.468 > 21 22 Rb 0.78365579791193 0.10258447652685 0.20162258441934 85.468 > 21 23 Rb 0.28365579791193 0.60258447652685 0.20162258441934 85.468 > 21 24 Rb 0.78365579791193 0.60258447652685 0.20162258441934 85.468 > 21 25 Rb 0.31681521253973 0.41519531739945 0.60951509431801 85.468 > 25 26 Rb 0.81681521253973 0.41519531739945 0.60951509431801 85.468 > 25 27 Rb 0.31681521253973 0.91519531739945 0.60951509431801 85.468 > 25 28 Rb 0.81681521253973 0.91519531739945 0.60951509431801 85.468 > 25 29 Rb 0.28365579791193 0.14741552347314 0.70162258441934 85.468 > 29 30 Rb 0.78365579791193 0.14741552347314 0.70162258441934 85.468 > 29 31 Rb 0.28365579791193 0.64741552347314 0.70162258441934 85.468 > 29 32 Rb 0.78365579791193 0.64741552347314 0.70162258441934 85.468 > 29 33 Rb 0.21634420208807 0.35258447652685 0.29837741558066 85.468 > 33 34 Rb 0.71634420208807 0.35258447652685 0.29837741558066 85.468 > 33 35 Rb 0.21634420208807 0.85258447652685 0.29837741558066 85.468 > 33 36 Rb 0.71634420208807 0.85258447652685 0.29837741558066 85.468 > 33 37 Rb 0.18318478746027 0.08480468260055 0.39048490568199 85.468 > 37 38 Rb 0.68318478746027 0.08480468260055 0.39048490568199 85.468 > 37 39 Rb 0.18318478746027 0.58480468260055 0.39048490568199 85.468 > 37 40 Rb 0.68318478746027 0.58480468260055 0.39048490568199 85.468 > 37 41 Rb 0.21634420208807 0.39741552347315 0.79837741558066 85.468 > 41 42 Rb 0.71634420208807 0.39741552347315 0.79837741558066 85.468 > 41 43 Rb 0.21634420208807 0.89741552347315 0.79837741558066 85.468 > 41 44 Rb 0.71634420208807 0.89741552347315 0.79837741558066 85.468 > 41 45 Rb 0.08370313553403 0.20007420755062 0.08787224844402 85.468 > 45 46 Rb 0.58370313553403 0.20007420755062 0.08787224844402 85.468 > 45 47 Rb 0.08370313553403 0.70007420755062 0.08787224844402 85.468 > 45 48 Rb 0.58370313553403 0.70007420755062 0.08787224844402 85.468 > 45 49 Rb 0.18318478746027 0.16519531739945 0.89048490568199 85.468 > 49 50 Rb 0.68318478746027 0.16519531739945 0.89048490568199 85.468 > 49 51 Rb 0.18318478746027 0.66519531739945 0.89048490568199 85.468 > 49 52 Rb 0.68318478746027 0.66519531739945 0.89048490568199 85.468 > 49 53 Rb 0.02652645388088 0.45878352160347 0.19239200022120 85.468 > 53 54 Rb 0.52652645388088 0.45878352160347 0.19239200022120 85.468 > 53 55 Rb 0.02652645388088 0.95878352160347 0.19239200022120 85.468 > 53 56 Rb 0.52652645388088 0.95878352160347 0.19239200022120 85.468 > 53 57 Rb 0.08370313553403 0.04992579244938 0.58787224844402 85.468 > 57 58 Rb 0.58370313553403 0.04992579244938 0.58787224844402 85.468 > 57 59 Rb 0.08370313553403 0.54992579244938 0.58787224844402 85.468 > 57 60 Rb 0.58370313553403 0.54992579244938 0.58787224844402 85.468 > 57 61 Rb 0.02652645388088 0.29121647839653 0.69239200022120 85.468 > 61 62 Rb 0.52652645388088 0.29121647839653 0.69239200022120 85.468 > 61 63 Rb 0.02652645388088 0.79121647839653 0.69239200022120 85.468 > 61 64 Rb 0.52652645388088 0.79121647839653 0.69239200022120 85.468 > 61 65 Pb 0.37834187259297 0.06676026947783 0.00464594022239 207.200 > 65 66 Pb 0.87834187259297 0.06676026947783 0.00464594022239 207.200 > 65 67 Pb 0.37834187259297 0.56676026947783 0.00464594022239 207.200 > 65 68 Pb 0.87834187259297 0.56676026947783 0.00464594022239 207.200 > 65 69 Pb 0.37834187259297 0.18323973052217 0.50464594022239 207.200 > 69 70 Pb 0.87834187259297 0.18323973052217 0.50464594022239 207.200 > 69 71 Pb 0.37834187259297 0.68323973052217 0.50464594022239 207.200 > 69 72 Pb 0.87834187259297 0.68323973052217 0.50464594022239 207.200 > 69 73 Pb 0.12165812740703 0.31676026947783 0.49535405977761 207.200 > 73 74 Pb 0.62165812740703 0.31676026947783 0.49535405977761 207.200 > 73 75 Pb 0.12165812740703 0.81676026947783 0.49535405977761 207.200 > 73 76 Pb 0.62165812740703 0.81676026947783 0.49535405977761 207.200 > 73 77 Pb 0.12165812740703 0.43323973052217 0.99535405977761 207.200 > 77 78 Pb 0.62165812740703 0.43323973052217 0.99535405977761 207.200 > 77 79 Pb 0.12165812740703 0.93323973052217 0.99535405977761 207.200 > 77 80 Pb 0.62165812740703 0.93323973052217 0.99535405977761 207.200 > 77 81 O 0.46807038597413 0.12198351295811 0.03234375531836 15.999 > 81 82 O 0.96807038597413 0.12198351295811 0.03234375531836 15.999 > 81 83 O 0.46807038597413 0.62198351295811 0.03234375531836 15.999 > 81 84 O 0.96807038597413 0.62198351295811 0.03234375531836 15.999 > 81 85 O 0.46807038597413 0.12801648704189 0.53234375531836 15.999 > 85 86 O 0.96807038597413 0.12801648704189 0.53234375531836 15.999 > 85 87 O 0.46807038597413 0.62801648704189 0.53234375531836 15.999 > 85 88 O 0.96807038597413 0.62801648704189 0.53234375531836 15.999 > 85 89 O 0.38757956119171 0.49891893192010 0.17113303771440 15.999 > 89 90 O 0.88757956119171 0.49891893192010 0.17113303771440 15.999 > 89 91 O 0.38757956119171 0.99891893192010 0.17113303771440 15.999 > 89 92 O 0.88757956119171 0.99891893192010 0.17113303771440 15.999 > 89 93 O 0.34524821487846 0.27125730211204 0.34823403079697 15.999 > 93 94 O 0.84524821487846 0.27125730211204 0.34823403079697 15.999 > 93 95 O 0.34524821487846 0.77125730211204 0.34823403079697 15.999 > 93 96 O 0.84524821487846 0.77125730211204 0.34823403079697 15.999 > 93 97 O 0.38757956119171 0.25108106807990 0.67113303771440 15.999 > 97 98 O 0.88757956119171 0.25108106807990 0.67113303771440 15.999 > 97 99 O 0.38757956119171 0.75108106807990 0.67113303771440 15.999 > 97 100 O 0.88757956119171 0.75108106807990 0.67113303771440 15.999 > 97 101 O 0.31370612414790 0.07212919564044 0.46918420332205 15.999 > 101 102 O 0.81370612414790 0.07212919564044 0.46918420332205 15.999 > 101 103 O 0.31370612414790 0.57212919564044 0.46918420332205 15.999 > 101 104 O 0.81370612414790 0.57212919564044 0.46918420332205 15.999 > 101 105 O 0.34524821487846 0.47874269788796 0.84823403079697 15.999 > 105 106 O 0.84524821487846 0.47874269788796 0.84823403079697 15.999 > 105 107 O 0.34524821487846 0.97874269788796 0.84823403079697 15.999 > 105 108 O 0.84524821487846 0.97874269788796 0.84823403079697 15.999 > 105 109 O 0.18629387585210 0.32212919564044 0.03081579667795 15.999 > 109 110 O 0.68629387585210 0.32212919564044 0.03081579667795 15.999 > 109 111 O 0.18629387585210 0.82212919564044 0.03081579667795 15.999 > 109 112 O 0.68629387585210 0.82212919564044 0.03081579667795 15.999 > 109 113 O 0.31370612414790 0.17787080435956 0.96918420332205 15.999 > 113 114 O 0.81370612414790 0.17787080435956 0.96918420332205 15.999 > 113 115 O 0.31370612414790 0.67787080435956 0.96918420332205 15.999 > 113 116 O 0.81370612414790 0.67787080435956 0.96918420332205 15.999 > 113 117 O 0.15475178512154 0.02125730211204 0.15176596920303 15.999 > 117 118 O 0.65475178512154 0.02125730211204 0.15176596920303 15.999 > 117 119 O 0.15475178512154 0.52125730211204 0.15176596920303 15.999 > 117 120 O 0.65475178512154 0.52125730211204 0.15176596920303 15.999 > 117 121 O 0.18629387585210 0.42787080435956 0.53081579667795 15.999 > 121 122 O 0.68629387585210 0.42787080435956 0.53081579667795 15.999 > 121 123 O 0.18629387585210 0.92787080435956 0.53081579667795 15.999 > 121 124 O 0.68629387585210 0.92787080435956 0.53081579667795 15.999 > 121 125 O 0.11242043880829 0.24891893192010 0.32886696228560 15.999 > 125 126 O 0.61242043880829 0.24891893192010 0.32886696228560 15.999 > 125 127 O 0.11242043880829 0.74891893192010 0.32886696228560 15.999 > 125 128 O 0.61242043880829 0.74891893192010 0.32886696228560 15.999 > 125 129 O 0.15475178512154 0.22874269788796 0.65176596920303 15.999 > 129 130 O 0.65475178512154 0.22874269788796 0.65176596920303 15.999 > 129 131 O 0.15475178512154 0.72874269788796 0.65176596920303 15.999 > 129 132 O 0.65475178512154 0.72874269788796 0.65176596920303 15.999 > 129 133 O 0.11242043880829 0.00108106807990 0.82886696228560 15.999 > 133 134 O 0.61242043880829 0.00108106807990 0.82886696228560 15.999 > 133 135 O 0.11242043880829 0.50108106807990 0.82886696228560 15.999 > 133 136 O 0.61242043880829 0.50108106807990 0.82886696228560 15.999 > 133 137 O 0.03192961402587 0.37198351295811 0.46765624468164 15.999 > 137 138 O 0.53192961402587 0.37198351295811 0.46765624468164 15.999 > 137 139 O 0.03192961402587 0.87198351295811 0.46765624468164 15.999 > 137 140 O 0.53192961402587 0.87198351295811 0.46765624468164 15.999 > 137 141 O 0.03192961402587 0.37801648704189 0.96765624468164 15.999 > 141 142 O 0.53192961402587 0.37801648704189 0.96765624468164 15.999 > 141 143 O 0.03192961402587 0.87801648704189 0.96765624468164 15.999 > 141 144 O 0.53192961402587 0.87801648704189 0.96765624468164 15.999 > 141 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 3.2466423 0.0000000 0.0068294 0.0000000 3.2427610 0.0000000 0.0068359 0.0000000 3.3149999 -------------------------- Born effective charges -------------------------- 1 Rb 1.2233249 0.1981046 -0.0663593 0.1584367 1.0509476 0.1487628 -0.0283832 0.1802887 1.2589918 2 Rb 1.1206379 -0.1384668 -0.0046499 -0.0920028 1.3664514 0.0037599 0.0213802 -0.0556024 1.1113967 3 Rb 1.2233249 -0.1981046 -0.0663593 -0.1584367 1.0509476 -0.1487628 -0.0283832 -0.1802887 1.2589918 4 Rb 1.1493287 0.0938230 0.0469235 0.0677993 1.2708166 0.0283544 0.0099508 -0.0264098 1.1690786 5 Rb 1.1206379 0.1384668 -0.0046499 0.0920028 1.3664514 -0.0037599 0.0213802 0.0556024 1.1113967 6 Rb 1.2596250 0.0133396 -0.0103586 0.0574687 1.0336058 0.0685357 -0.0247596 0.1227015 1.2770519 7 Rb 1.1493287 -0.0938230 0.0469235 -0.0677993 1.2708166 -0.0283544 0.0099508 0.0264098 1.1690786 8 Rb 1.2596250 -0.0133396 -0.0103586 -0.0574687 1.0336058 -0.0685357 -0.0247596 -0.1227015 1.2770519 9 Rb 1.2596250 -0.0133396 -0.0103586 -0.0574687 1.0336058 -0.0685357 -0.0247596 -0.1227015 1.2770519 10 Rb 1.1493287 -0.0938230 0.0469235 -0.0677993 1.2708166 -0.0283544 0.0099508 0.0264098 1.1690786 11 Rb 1.2596250 0.0133396 -0.0103586 0.0574687 1.0336058 0.0685357 -0.0247596 0.1227015 1.2770519 12 Rb 1.1206379 0.1384668 -0.0046499 0.0920028 1.3664514 -0.0037599 0.0213802 0.0556024 1.1113967 13 Rb 1.1493287 0.0938230 0.0469235 0.0677993 1.2708166 0.0283544 0.0099508 -0.0264098 1.1690786 14 Rb 1.2233249 -0.1981046 -0.0663593 -0.1584367 1.0509476 -0.1487628 -0.0283832 -0.1802887 1.2589918 15 Rb 1.1206379 -0.1384668 -0.0046499 -0.0920028 1.3664514 0.0037599 0.0213802 -0.0556024 1.1113967 16 Rb 1.2233249 0.1981046 -0.0663593 0.1584367 1.0509476 0.1487628 -0.0283832 0.1802887 1.2589918 17 Pb 2.6501415 -0.0454739 -0.0049614 -0.0374302 2.6576753 -0.0570098 -0.0018318 -0.0308720 2.7578446 18 Pb 2.6501415 0.0454739 -0.0049614 0.0374302 2.6576753 0.0570098 -0.0018318 0.0308720 2.7578446 19 Pb 2.6501415 0.0454739 -0.0049614 0.0374302 2.6576753 0.0570098 -0.0018318 0.0308720 2.7578446 20 Pb 2.6501415 -0.0454739 -0.0049614 -0.0374302 2.6576753 -0.0570098 -0.0018318 -0.0308720 2.7578446 21 O -2.2727294 -0.2821850 -0.0919541 -0.3171951 -1.6674611 -0.0094968 -0.1116843 -0.0156812 -1.5481961 22 O -2.2727294 0.2821850 -0.0919541 0.3171951 -1.6674611 0.0094968 -0.1116843 0.0156812 -1.5481961 23 O -1.6031906 -0.1008007 0.2482326 -0.1489584 -1.7455108 0.4517409 0.2696009 0.3747517 -2.1929218 24 O -1.5259387 0.0318404 -0.0865886 0.0489719 -1.9501074 0.5296453 -0.0753555 0.4476335 -2.2040540 25 O -1.6031906 0.1008007 0.2482326 0.1489584 -1.7455108 -0.4517409 0.2696009 -0.3747517 -2.1929218 26 O -2.0011993 -0.4832065 -0.0302841 -0.5205998 -2.0164174 -0.1065048 -0.0589175 -0.0742783 -1.6291918 27 O -1.5259387 -0.0318404 -0.0865886 -0.0489719 -1.9501074 -0.5296453 -0.0753555 -0.4476335 -2.2040540 28 O -2.0011993 0.4832065 -0.0302841 0.5205998 -2.0164174 0.1065048 -0.0589175 0.0742783 -1.6291918 29 O -2.0011993 0.4832065 -0.0302841 0.5205998 -2.0164174 0.1065048 -0.0589175 0.0742783 -1.6291918 30 O -1.5259387 -0.0318404 -0.0865886 -0.0489719 -1.9501074 -0.5296453 -0.0753555 -0.4476335 -2.2040540 31 O -2.0011993 -0.4832065 -0.0302841 -0.5205998 -2.0164174 -0.1065048 -0.0589175 -0.0742783 -1.6291918 32 O -1.6031906 0.1008007 0.2482326 0.1489584 -1.7455108 -0.4517409 0.2696009 -0.3747517 -2.1929218 33 O -1.5259387 0.0318404 -0.0865886 0.0489719 -1.9501074 0.5296453 -0.0753555 0.4476335 -2.2040540 34 O -1.6031906 -0.1008007 0.2482326 -0.1489584 -1.7455108 0.4517409 0.2696009 0.3747517 -2.1929218 35 O -2.2727294 0.2821850 -0.0919541 0.3171951 -1.6674611 0.0094968 -0.1116843 0.0156812 -1.5481961 36 O -2.2727294 -0.2821850 -0.0919541 -0.3171951 -1.6674611 -0.0094968 -0.1116843 -0.0156812 -1.5481961 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000000 (xxx) 0.00000000 (xxx) 0.00000000 (xxx) Max drift of fc2: 0.00000000 (zz) 0.00000000 (zz) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 5 7 5 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.44, Number of G-points: 295, Lambda: 0.08 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/52) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 52 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.624 ( 0.000 0.000 0.000) 0.000 0.772 ( 0.000 0.000 0.000) 0.000 0.897 ( 0.000 0.000 0.000) 0.000 1.078 ( 0.000 0.000 0.000) 0.000 1.144 ( 0.000 0.000 0.000) 0.000 1.169 ( 0.000 0.000 0.000) 0.000 1.258 ( 0.000 0.000 0.000) 0.000 1.278 ( 0.000 0.000 0.000) 0.000 1.427 ( 0.000 0.000 0.000) 0.000 1.478 ( 0.000 0.000 0.000) 0.000 1.484 ( 0.000 0.000 0.000) 0.000 1.514 ( 0.000 0.000 0.000) 0.000 1.617 ( 0.000 0.000 0.000) 0.000 1.627 ( 0.000 0.000 0.000) 0.000 1.709 ( 0.000 0.000 0.000) 0.000 1.718 ( 0.000 0.000 0.000) 0.000 1.776 ( 0.000 0.000 0.000) 0.000 1.828 ( 0.000 0.000 0.000) 0.000 1.881 ( 0.000 0.000 0.000) 0.000 1.894 ( 0.000 0.000 0.000) 0.000 1.916 ( 0.000 0.000 0.000) 0.000 1.918 ( 0.000 0.000 0.000) 0.000 2.045 ( 0.000 0.000 0.000) 0.000 2.089 ( 0.000 0.000 0.000) 0.000 2.169 ( 0.000 0.000 0.000) 0.000 2.169 ( 0.000 0.000 0.000) 0.000 2.206 ( 0.000 0.000 0.000) 0.000 2.218 ( 0.000 0.000 0.000) 0.000 2.269 ( 0.000 0.000 0.000) 0.000 2.354 ( 0.000 0.000 0.000) 0.000 2.387 ( 0.000 0.000 0.000) 0.000 2.404 ( 0.000 0.000 0.000) 0.000 2.457 ( 0.000 0.000 0.000) 0.000 2.535 ( 0.000 0.000 0.000) 0.000 2.598 ( 0.000 0.000 0.000) 0.000 2.598 ( 0.000 0.000 0.000) 0.000 2.659 ( 0.000 0.000 0.000) 0.000 2.828 ( 0.000 0.000 0.000) 0.000 2.832 ( 0.000 0.000 0.000) 0.000 2.864 ( 0.000 0.000 0.000) 0.000 2.899 ( 0.000 0.000 0.000) 0.000 2.903 ( 0.000 0.000 0.000) 0.000 2.942 ( 0.000 0.000 0.000) 0.000 2.967 ( 0.000 0.000 0.000) 0.000 3.024 ( 0.000 0.000 0.000) 0.000 3.099 ( 0.000 0.000 0.000) 0.000 3.099 ( 0.000 0.000 0.000) 0.000 3.107 ( 0.000 0.000 0.000) 0.000 3.195 ( 0.000 0.000 0.000) 0.000 3.241 ( 0.000 0.000 0.000) 0.000 3.317 ( 0.000 0.000 0.000) 0.000 3.360 ( 0.000 0.000 0.000) 0.000 3.385 ( 0.000 0.000 0.000) 0.000 3.393 ( 0.000 0.000 0.000) 0.000 3.415 ( 0.000 0.000 0.000) 0.000 3.443 ( 0.000 0.000 0.000) 0.000 3.503 ( 0.000 0.000 0.000) 0.000 3.897 ( 0.000 0.000 0.000) 0.000 3.932 ( 0.000 0.000 0.000) 0.000 3.994 ( 0.000 0.000 0.000) 0.000 4.127 ( 0.000 0.000 0.000) 0.000 4.172 ( 0.000 0.000 0.000) 0.000 4.188 ( 0.000 0.000 0.000) 0.000 4.303 ( 0.000 0.000 0.000) 0.000 4.313 ( 0.000 0.000 0.000) 0.000 4.832 ( 0.000 0.000 0.000) 0.000 4.881 ( 0.000 0.000 0.000) 0.000 4.950 ( 0.000 0.000 0.000) 0.000 4.963 ( 0.000 0.000 0.000) 0.000 5.449 ( 0.000 0.000 0.000) 0.000 5.453 ( 0.000 0.000 0.000) 0.000 5.564 ( 0.000 0.000 0.000) 0.000 5.703 ( 0.000 0.000 0.000) 0.000 5.705 ( 0.000 0.000 0.000) 0.000 5.866 ( 0.000 0.000 0.000) 0.000 6.203 ( 0.000 0.000 0.000) 0.000 6.503 ( 0.000 0.000 0.000) 0.000 6.610 ( 0.000 0.000 0.000) 0.000 6.644 ( 0.000 0.000 0.000) 0.000 6.735 ( 0.000 0.000 0.000) 0.000 6.780 ( 0.000 0.000 0.000) 0.000 6.875 ( 0.000 0.000 0.000) 0.000 6.920 ( 0.000 0.000 0.000) 0.000 7.010 ( 0.000 0.000 0.000) 0.000 7.428 ( 0.000 0.000 0.000) 0.000 7.598 ( 0.000 0.000 0.000) 0.000 7.779 ( 0.000 0.000 0.000) 0.000 7.929 ( 0.000 0.000 0.000) 0.000 8.185 ( 0.000 0.000 0.000) 0.000 14.627 ( 0.000 0.000 0.000) 0.000 14.681 ( 0.000 0.000 0.000) 0.000 14.755 ( 0.000 0.000 0.000) 0.000 15.066 ( 0.000 0.000 0.000) 0.000 15.089 ( 0.000 0.000 0.000) 0.000 15.125 ( 0.000 0.000 0.000) 0.000 15.184 ( 0.000 0.000 0.000) 0.000 15.384 ( 0.000 0.000 0.000) 0.000 15.657 ( 0.000 0.000 0.000) 0.000 15.784 ( 0.000 0.000 0.000) 0.000 15.867 ( 0.000 0.000 0.000) 0.000 16.066 ( 0.000 0.000 0.000) 0.000 16.752 ( 0.000 0.000 0.000) 0.000 16.760 ( 0.000 0.000 0.000) 0.000 16.789 ( 0.000 0.000 0.000) 0.000 16.880 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/52) ======================= q-point: ( 0.20 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 52 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.179 ( 10.649 0.000 -3.728) 11.283 0.304 ( 14.281 0.000 6.474) 15.679 0.563 ( 25.693 0.000 11.378) 28.100 0.604 ( -0.252 0.000 -1.728) 1.747 0.881 ( 7.108 0.000 7.455) 10.300 0.936 ( 3.040 0.000 -0.262) 3.052 1.082 ( -1.832 0.000 0.357) 1.866 1.134 ( -1.973 0.000 0.633) 2.072 1.190 ( 2.293 0.000 4.863) 5.376 1.279 ( 2.703 0.000 -6.212) 6.774 1.285 ( 4.977 0.000 -5.651) 7.530 1.387 ( -3.483 0.000 4.335) 5.561 1.436 ( -2.530 0.000 -3.196) 4.076 1.457 ( -3.147 0.000 2.755) 4.182 1.547 ( -8.866 0.000 8.756) 12.461 1.579 ( 6.234 0.000 -2.864) 6.860 1.636 ( 1.277 0.000 0.222) 1.297 1.679 ( -2.610 0.000 -0.208) 2.618 1.753 ( 3.457 0.000 -4.400) 5.595 1.805 ( -1.213 0.000 1.400) 1.853 1.869 ( -0.152 0.000 -0.965) 0.977 1.875 ( -0.475 0.000 -2.690) 2.732 1.922 ( 5.719 0.000 -1.412) 5.891 1.961 ( 3.461 0.000 1.642) 3.831 1.973 ( 1.621 0.000 2.033) 2.600 1.986 ( -3.475 0.000 2.398) 4.222 2.102 ( -0.751 0.000 2.565) 2.673 2.136 ( -0.101 0.000 -6.128) 6.129 2.141 ( -0.602 0.000 -0.206) 0.636 2.210 ( -3.768 0.000 1.098) 3.925 2.235 ( 5.063 0.000 -9.052) 10.372 2.255 ( -7.449 0.000 -4.164) 8.534 2.319 ( -1.870 0.000 -0.194) 1.880 2.328 ( -5.262 0.000 -2.600) 5.869 2.415 ( -1.256 0.000 9.623) 9.705 2.434 ( 1.476 0.000 2.987) 3.332 2.501 ( -2.559 0.000 2.380) 3.495 2.575 ( -2.634 0.000 1.825) 3.205 2.663 ( 4.109 0.000 -4.310) 5.955 2.708 ( -10.009 0.000 -0.648) 10.030 2.774 ( -0.985 0.000 1.984) 2.215 2.785 ( -1.574 0.000 -4.114) 4.404 2.836 ( -2.374 0.000 -3.158) 3.951 2.878 ( 3.139 0.000 -0.922) 3.271 2.953 ( 1.497 0.000 -0.045) 1.498 2.955 ( 1.370 0.000 -4.386) 4.595 2.999 ( -0.329 0.000 2.658) 2.678 3.022 ( -3.111 0.000 -0.403) 3.137 3.101 ( -0.621 0.000 0.978) 1.159 3.146 ( 3.648 0.000 6.387) 7.355 3.151 ( 3.089 0.000 -5.060) 5.928 3.228 ( -0.363 0.000 -1.151) 1.207 3.252 ( 2.833 0.000 0.341) 2.853 3.346 ( -2.154 0.000 1.302) 2.516 3.366 ( 0.536 0.000 5.748) 5.773 3.418 ( 0.432 0.000 0.302) 0.527 3.423 ( 3.166 0.000 2.124) 3.813 3.471 ( 2.202 0.000 -0.475) 2.253 3.523 ( 1.575 0.000 1.209) 1.985 3.598 ( -2.604 0.000 1.554) 3.033 3.938 ( 4.121 0.000 0.162) 4.124 3.956 ( -0.072 0.000 3.460) 3.461 4.024 ( 3.629 0.000 -1.849) 4.073 4.104 ( -1.899 0.000 -0.155) 1.905 4.138 ( -1.958 0.000 -2.278) 3.004 4.200 ( -1.298 0.000 2.036) 2.414 4.266 ( -3.377 0.000 -1.174) 3.576 4.316 ( 0.431 0.000 -1.041) 1.127 4.819 ( -0.243 0.000 -0.475) 0.533 4.943 ( 4.110 0.000 2.173) 4.649 4.953 ( -0.786 0.000 -1.980) 2.130 4.995 ( 1.540 0.000 -5.501) 5.712 5.412 ( -0.032 0.000 -3.461) 3.461 5.598 ( 3.910 0.000 6.331) 7.441 5.604 ( 3.422 0.000 2.526) 4.254 5.760 ( 4.774 0.000 2.299) 5.299 5.872 ( -0.546 0.000 3.534) 3.576 5.960 ( 14.076 0.000 -41.728) 44.038 6.180 ( -1.839 0.000 -1.962) 2.689 6.501 ( 0.072 0.000 -0.905) 0.908 6.546 ( -7.041 0.000 -3.622) 7.918 6.642 ( 0.132 0.000 -1.548) 1.554 6.779 ( -0.934 0.000 -1.333) 1.628 6.885 ( 3.058 0.000 -2.249) 3.796 6.899 ( -3.865 0.000 4.789) 6.154 7.074 ( 4.843 0.000 1.735) 5.145 7.078 ( 1.448 0.000 0.716) 1.615 7.490 ( -9.149 0.000 1.086) 9.214 7.882 ( 7.136 0.000 2.541) 7.575 7.915 ( -1.684 0.000 1.003) 1.960 8.173 ( -1.141 0.000 -0.800) 1.393 8.287 ( -5.733 0.000 16.175) 17.161 14.628 ( -0.057 0.000 0.436) 0.440 14.683 ( 0.076 0.000 0.324) 0.333 14.778 ( 2.073 0.000 -5.572) 5.945 15.073 ( -1.518 0.000 3.378) 3.703 15.152 ( 3.836 0.000 1.243) 4.032 15.192 ( 0.573 0.000 0.729) 0.928 15.418 ( 3.931 0.000 -2.515) 4.667 15.431 ( -8.007 0.000 15.179) 17.161 15.698 ( -7.538 0.000 -1.942) 7.784 15.882 ( 0.639 0.000 2.258) 2.346 16.096 ( 2.313 0.000 0.259) 2.328 16.392 ( 4.936 0.000 -12.636) 13.566 16.758 ( -0.428 0.000 0.598) 0.735 16.780 ( -1.095 0.000 0.763) 1.335 16.815 ( -1.011 0.000 2.879) 3.052 16.876 ( -0.008 0.000 -0.880) 0.880 ======================= Grid point 2 (3/52) ======================= q-point: ( 0.40 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 52 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.306 ( 4.581 0.000 -0.930) 4.674 0.577 ( 10.883 0.000 4.968) 11.963 0.599 ( 0.013 0.000 -0.042) 0.044 0.889 ( -5.479 0.000 -2.694) 6.105 0.950 ( 4.827 0.000 3.243) 5.815 1.053 ( 5.621 0.000 3.462) 6.601 1.096 ( -1.348 0.000 0.184) 1.360 1.155 ( 12.119 0.000 5.067) 13.135 1.254 ( 0.182 0.000 1.538) 1.548 1.321 ( -0.072 0.000 0.440) 0.446 1.326 ( 7.628 0.000 -7.319) 10.571 1.374 ( 0.486 0.000 -0.320) 0.582 1.397 ( -0.596 0.000 2.351) 2.425 1.460 ( -6.306 0.000 5.082) 8.099 1.462 ( 3.394 0.000 -0.041) 3.395 1.581 ( -7.509 0.000 -1.790) 7.719 1.632 ( 0.885 0.000 0.203) 0.908 1.691 ( 3.528 0.000 0.659) 3.590 1.764 ( -1.082 0.000 2.278) 2.522 1.770 ( -1.067 0.000 -1.807) 2.099 1.823 ( -4.118 0.000 -2.101) 4.623 1.837 ( -2.179 0.000 -1.019) 2.405 1.850 ( -8.866 0.000 -4.220) 9.819 1.988 ( 1.518 0.000 -0.561) 1.618 2.008 ( 0.756 0.000 -0.117) 0.765 2.053 ( 3.309 0.000 3.812) 5.047 2.107 ( 1.266 0.000 -2.934) 3.195 2.130 ( 0.398 0.000 -3.225) 3.249 2.143 ( 0.666 0.000 7.298) 7.328 2.147 ( 4.030 0.000 -3.608) 5.409 2.161 ( -3.511 0.000 1.822) 3.956 2.231 ( 0.214 0.000 -7.436) 7.439 2.266 ( -3.018 0.000 -0.228) 3.027 2.327 ( 3.942 0.000 -1.477) 4.210 2.451 ( -0.712 0.000 2.153) 2.268 2.453 ( -1.357 0.000 2.039) 2.450 2.509 ( -1.488 0.000 6.354) 6.526 2.530 ( -7.446 0.000 -0.477) 7.461 2.547 ( 0.288 0.000 4.850) 4.858 2.644 ( -1.016 0.000 -8.578) 8.638 2.722 ( -0.668 0.000 -0.937) 1.151 2.785 ( -0.947 0.000 -1.838) 2.068 2.788 ( -0.102 0.000 -0.895) 0.901 2.871 ( -1.440 0.000 -2.897) 3.235 2.963 ( 0.916 0.000 -0.349) 0.980 2.979 ( 0.467 0.000 0.493) 0.679 3.000 ( 3.003 0.000 0.183) 3.009 3.043 ( 1.688 0.000 0.790) 1.863 3.074 ( -3.193 0.000 1.143) 3.391 3.174 ( 0.785 0.000 0.250) 0.824 3.214 ( -0.416 0.000 -0.635) 0.760 3.243 ( 2.535 0.000 1.598) 2.997 3.298 ( 1.699 0.000 0.335) 1.732 3.333 ( 0.080 0.000 3.244) 3.245 3.390 ( 0.011 0.000 1.467) 1.467 3.406 ( -1.291 0.000 -2.047) 2.421 3.497 ( 0.909 0.000 -0.450) 1.014 3.500 ( 2.126 0.000 3.544) 4.133 3.554 ( -1.710 0.000 -2.091) 2.701 3.558 ( 0.963 0.000 0.976) 1.371 3.990 ( 1.308 0.000 2.601) 2.911 4.026 ( 4.992 0.000 -0.204) 4.996 4.063 ( 0.398 0.000 -3.367) 3.391 4.076 ( -1.433 0.000 0.829) 1.656 4.108 ( 1.616 0.000 0.023) 1.616 4.171 ( -2.697 0.000 0.517) 2.747 4.184 ( -3.974 0.000 -1.272) 4.172 4.313 ( 0.045 0.000 -0.639) 0.641 4.818 ( 0.122 0.000 -0.106) 0.162 4.919 ( -0.963 0.000 -1.231) 1.563 4.995 ( 0.580 0.000 -1.193) 1.327 5.014 ( 1.941 0.000 1.006) 2.186 5.410 ( 0.759 0.000 -0.991) 1.248 5.685 ( 1.823 0.000 2.840) 3.375 5.695 ( 3.379 0.000 2.602) 4.264 5.855 ( 2.981 0.000 1.346) 3.270 5.893 ( -1.509 0.000 8.070) 8.210 5.929 ( 4.439 0.000 -17.285) 17.846 6.122 ( -2.296 0.000 -1.786) 2.909 6.422 ( -3.249 0.000 -2.461) 4.076 6.495 ( -0.069 0.000 -0.552) 0.557 6.636 ( 0.213 0.000 -0.997) 1.020 6.738 ( -1.645 0.000 -0.694) 1.785 6.863 ( -2.238 0.000 2.370) 3.260 6.945 ( 3.309 0.000 -1.065) 3.476 7.107 ( 1.358 0.000 -0.753) 1.553 7.171 ( 5.194 0.000 -0.214) 5.198 7.336 ( -8.099 0.000 1.573) 8.251 7.893 ( -1.073 0.000 0.603) 1.231 8.014 ( 5.020 0.000 2.421) 5.574 8.131 ( -2.534 0.000 -1.511) 2.951 8.291 ( -1.171 0.000 3.557) 3.745 14.630 ( -0.036 0.000 0.272) 0.275 14.686 ( 0.046 0.000 0.201) 0.206 14.778 ( 0.552 0.000 -1.474) 1.574 15.061 ( -0.971 0.000 1.180) 1.528 15.209 ( 0.523 0.000 0.557) 0.764 15.273 ( 6.236 0.000 5.261) 8.159 15.391 ( -2.543 0.000 2.574) 3.619 15.437 ( -0.550 0.000 -7.478) 7.498 15.558 ( -4.978 0.000 1.331) 5.153 15.906 ( 0.358 0.000 1.241) 1.292 16.128 ( 0.925 0.000 -0.018) 0.925 16.397 ( 1.355 0.000 -3.200) 3.475 16.754 ( -0.279 0.000 0.383) 0.474 16.767 ( -0.576 0.000 0.322) 0.659 16.815 ( -0.213 0.000 0.510) 0.553 16.871 ( -0.013 0.000 -0.572) 0.572 ======================= Grid point 5 (4/52) ======================= q-point: ( 0.00 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 52 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.245 ( 0.000 12.856 0.000) 12.856 0.273 ( 0.000 13.447 0.000) 13.447 0.593 ( 0.000 26.909 0.000) 26.909 0.834 ( 0.000 16.269 0.000) 16.269 0.869 ( 0.000 5.261 0.000) 5.261 0.968 ( 0.000 5.878 0.000) 5.878 1.120 ( 0.000 3.134 0.000) 3.134 1.129 ( 0.000 -0.506 0.000) 0.506 1.233 ( 0.000 3.801 0.000) 3.801 1.305 ( 0.000 2.890 0.000) 2.890 1.309 ( 0.000 4.771 0.000) 4.771 1.433 ( 0.000 0.945 0.000) 0.945 1.455 ( 0.000 -2.816 0.000) 2.816 1.510 ( 0.000 3.352 0.000) 3.352 1.579 ( 0.000 -0.612 0.000) 0.612 1.582 ( 0.000 -0.588 0.000) 0.588 1.651 ( 0.000 0.078 0.000) 0.078 1.718 ( 0.000 0.624 0.000) 0.624 1.750 ( 0.000 -2.775 0.000) 2.775 1.798 ( 0.000 -1.712 0.000) 1.712 1.807 ( 0.000 2.403 0.000) 2.403 1.852 ( 0.000 -2.797 0.000) 2.797 1.881 ( 0.000 -2.341 0.000) 2.341 1.905 ( 0.000 1.247 0.000) 1.247 1.967 ( 0.000 2.452 0.000) 2.452 2.004 ( 0.000 -2.924 0.000) 2.924 2.057 ( 0.000 -2.600 0.000) 2.600 2.152 ( 0.000 -4.722 0.000) 4.722 2.193 ( 0.000 -0.970 0.000) 0.970 2.220 ( 0.000 0.994 0.000) 0.994 2.224 ( 0.000 0.675 0.000) 0.675 2.261 ( 0.000 0.966 0.000) 0.966 2.311 ( 0.000 -3.101 0.000) 3.101 2.380 ( 0.000 -3.023 0.000) 3.023 2.418 ( 0.000 1.583 0.000) 1.583 2.474 ( 0.000 -1.363 0.000) 1.363 2.535 ( 0.000 -2.756 0.000) 2.756 2.547 ( 0.000 1.361 0.000) 1.361 2.583 ( 0.000 -2.065 0.000) 2.065 2.623 ( 0.000 -2.978 0.000) 2.978 2.806 ( 0.000 -1.378 0.000) 1.378 2.828 ( 0.000 -1.623 0.000) 1.623 2.880 ( 0.000 -2.494 0.000) 2.494 2.911 ( 0.000 1.757 0.000) 1.757 2.912 ( 0.000 0.682 0.000) 0.682 2.972 ( 0.000 -0.849 0.000) 0.849 2.981 ( 0.000 1.492 0.000) 1.492 2.994 ( 0.000 -3.369 0.000) 3.369 3.053 ( 0.000 2.078 0.000) 2.078 3.093 ( 0.000 -3.164 0.000) 3.164 3.184 ( 0.000 -1.188 0.000) 1.188 3.191 ( 0.000 1.944 0.000) 1.944 3.240 ( 0.000 -2.362 0.000) 2.362 3.283 ( 0.000 3.689 0.000) 3.689 3.346 ( 0.000 -0.744 0.000) 0.744 3.353 ( 0.000 -0.958 0.000) 0.958 3.438 ( 0.000 -1.358 0.000) 1.358 3.439 ( 0.000 3.913 0.000) 3.913 3.540 ( 0.000 3.500 0.000) 3.500 3.609 ( 0.000 -0.069 0.000) 0.069 3.922 ( 0.000 -4.284 0.000) 4.284 3.953 ( 0.000 1.514 0.000) 1.514 4.000 ( 0.000 -1.952 0.000) 1.952 4.118 ( 0.000 -0.689 0.000) 0.689 4.149 ( 0.000 -2.110 0.000) 2.110 4.191 ( 0.000 0.029 0.000) 0.029 4.291 ( 0.000 -2.534 0.000) 2.534 4.291 ( 0.000 -1.234 0.000) 1.234 4.816 ( 0.000 -1.341 0.000) 1.341 4.819 ( 0.000 -3.918 0.000) 3.918 4.940 ( 0.000 -1.413 0.000) 1.413 4.985 ( 0.000 -0.454 0.000) 0.454 5.459 ( 0.000 1.073 0.000) 1.073 5.470 ( 0.000 1.082 0.000) 1.082 5.559 ( 0.000 -1.822 0.000) 1.822 5.646 ( 0.000 -4.204 0.000) 4.204 5.701 ( 0.000 1.047 0.000) 1.047 5.894 ( 0.000 0.948 0.000) 0.948 6.346 ( 0.000 -7.520 0.000) 7.520 6.466 ( 0.000 -12.232 0.000) 12.232 6.587 ( 0.000 -1.995 0.000) 1.995 6.706 ( 0.000 0.853 0.000) 0.853 6.748 ( 0.000 -8.428 0.000) 8.428 7.008 ( 0.000 9.660 0.000) 9.660 7.026 ( 0.000 9.307 0.000) 9.307 7.138 ( 0.000 12.597 0.000) 12.597 7.557 ( 0.000 9.788 0.000) 9.788 7.639 ( 0.000 3.524 0.000) 3.524 7.662 ( 0.000 -7.522 0.000) 7.522 7.750 ( 0.000 -4.875 0.000) 4.875 7.936 ( 0.000 -0.048 0.000) 0.048 8.195 ( 0.000 -1.275 0.000) 1.275 14.638 ( 0.000 1.087 0.000) 1.087 14.756 ( 0.000 0.054 0.000) 0.054 15.024 ( 0.000 -2.235 0.000) 2.235 15.030 ( 0.000 0.883 0.000) 0.883 15.114 ( 0.000 0.962 0.000) 0.962 15.187 ( 0.000 0.133 0.000) 0.133 15.341 ( 0.000 -2.629 0.000) 2.629 15.674 ( 0.000 -3.507 0.000) 3.507 15.746 ( 0.000 7.001 0.000) 7.001 15.830 ( 0.000 -2.962 0.000) 2.962 16.044 ( 0.000 -2.075 0.000) 2.075 16.143 ( 0.000 0.817 0.000) 0.817 16.718 ( 0.000 -1.176 0.000) 1.176 16.788 ( 0.000 -0.021 0.000) 0.021 16.800 ( 0.000 1.778 0.000) 1.778 16.869 ( 0.000 -1.093 0.000) 1.093 ======================= Grid point 6 (5/52) ======================= q-point: ( 0.20 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.375 ( 10.116 7.361 3.503) 12.992 0.438 ( 8.630 10.303 6.996) 15.151 0.705 ( 10.526 16.238 0.392) 19.356 0.753 ( -1.517 10.650 -1.640) 10.881 0.966 ( 4.005 4.357 4.358) 7.349 1.041 ( 5.098 9.842 3.007) 11.485 1.090 ( -0.923 1.198 -1.164) 1.908 1.131 ( -0.507 0.041 -0.235) 0.561 1.238 ( 0.546 4.214 -0.683) 4.303 1.298 ( 0.201 1.666 -1.937) 2.563 1.329 ( 2.979 2.233 -3.342) 5.003 1.402 ( -2.475 2.658 4.800) 6.019 1.449 ( -1.116 0.734 -1.284) 1.853 1.491 ( -1.689 2.538 0.596) 3.107 1.551 ( -5.683 2.634 3.044) 6.964 1.580 ( 1.151 -0.547 -2.621) 2.914 1.622 ( -1.153 -2.516 0.940) 2.923 1.656 ( -0.874 0.485 -2.295) 2.504 1.757 ( -0.202 -0.613 -2.638) 2.716 1.786 ( 0.294 -1.725 2.854) 3.348 1.837 ( -2.759 -0.255 0.229) 2.781 1.884 ( 5.647 -1.583 -1.605) 6.080 1.914 ( 1.827 -1.295 1.450) 2.668 1.935 ( 3.446 0.585 -1.416) 3.771 1.992 ( 0.081 -0.621 3.006) 3.071 2.008 ( 2.080 2.163 2.222) 3.734 2.075 ( 0.851 -2.467 0.733) 2.711 2.112 ( -1.569 -0.856 -4.240) 4.601 2.191 ( -0.301 1.354 -3.512) 3.776 2.196 ( -0.521 -1.910 -5.502) 5.847 2.231 ( -2.376 0.860 0.565) 2.589 2.248 ( 0.048 0.433 3.100) 3.130 2.303 ( -2.202 -1.638 -1.544) 3.149 2.349 ( -4.509 1.756 -0.821) 4.908 2.409 ( -0.873 -0.582 5.845) 5.939 2.441 ( -0.969 -0.288 1.505) 1.813 2.512 ( -1.608 -3.687 1.392) 4.256 2.517 ( -0.613 -0.932 2.186) 2.454 2.597 ( 1.257 -4.957 -2.760) 5.811 2.655 ( -3.492 -4.239 0.135) 5.494 2.746 ( -5.446 -0.992 -0.349) 5.547 2.778 ( -0.594 1.530 -3.517) 3.881 2.828 ( 0.284 -1.569 -2.771) 3.197 2.891 ( -0.648 0.798 -4.756) 4.866 2.932 ( 0.563 -2.216 -3.891) 4.513 2.960 ( -2.170 -0.810 5.881) 6.320 2.987 ( 1.520 -1.015 -0.047) 1.828 3.055 ( 2.155 -0.055 -1.318) 2.527 3.070 ( -2.033 -0.981 -0.061) 2.258 3.124 ( 4.076 -1.034 3.564) 5.512 3.204 ( 1.108 2.367 -0.653) 2.694 3.237 ( 0.989 -1.328 1.228) 2.061 3.245 ( 0.856 -0.440 2.975) 3.127 3.277 ( 0.555 -1.393 -2.045) 2.536 3.368 ( 1.430 0.025 2.909) 3.241 3.381 ( 2.061 -2.757 1.816) 3.892 3.427 ( 0.624 -0.278 0.682) 0.965 3.478 ( 2.669 1.382 0.720) 3.091 3.529 ( -1.987 1.607 0.080) 2.557 3.605 ( -0.593 0.716 0.110) 0.936 3.931 ( 0.100 -1.762 1.005) 2.031 3.953 ( 2.723 -1.274 -0.806) 3.113 4.018 ( 2.126 0.364 0.751) 2.284 4.077 ( -2.687 -2.094 -1.240) 3.625 4.137 ( -1.237 -0.489 -0.864) 1.586 4.188 ( -1.247 -0.817 0.841) 1.711 4.259 ( -2.849 -1.011 -1.263) 3.277 4.303 ( 1.064 -1.613 -0.686) 2.051 4.809 ( 0.162 -1.413 -0.817) 1.640 4.828 ( -0.406 -5.002 0.241) 5.024 4.963 ( 2.249 -2.246 -2.204) 3.867 5.002 ( 2.732 -0.200 0.291) 2.755 5.413 ( 0.013 0.858 -1.605) 1.820 5.576 ( 5.602 -0.254 2.501) 6.141 5.650 ( 5.022 -4.113 -0.100) 6.492 5.670 ( 1.649 -0.521 2.123) 2.739 5.759 ( 7.730 -5.356 -5.288) 10.789 5.910 ( 0.690 0.522 2.580) 2.721 6.309 ( -4.496 -4.822 1.115) 6.687 6.484 ( 0.306 -10.181 3.438) 10.750 6.522 ( -1.442 3.487 -8.660) 9.447 6.692 ( -4.822 -1.301 -2.569) 5.616 6.710 ( -1.046 -1.989 -4.822) 5.320 6.868 ( -7.118 13.212 -8.490) 17.243 6.983 ( 2.520 3.533 -3.226) 5.408 7.183 ( 3.751 10.190 2.277) 11.094 7.323 ( -5.260 13.541 -2.570) 14.752 7.486 ( -9.577 0.292 0.980) 9.632 7.750 ( 0.558 -9.703 4.874) 10.873 7.893 ( 5.633 -2.324 1.725) 6.333 8.170 ( 1.216 -0.909 1.161) 1.911 8.199 ( 5.194 -4.349 10.118) 12.176 14.640 ( -0.130 1.129 0.576) 1.274 14.752 ( -0.804 0.956 1.024) 1.615 14.857 ( -5.915 6.964 -6.558) 11.247 15.041 ( -0.920 -2.349 3.355) 4.197 15.159 ( 2.942 0.186 2.190) 3.672 15.204 ( 1.250 0.767 0.362) 1.511 15.324 ( 0.609 -1.968 1.726) 2.687 15.591 ( -7.172 4.670 1.157) 8.637 15.671 ( -6.138 -1.714 -4.439) 7.767 15.889 ( 1.836 1.907 7.036) 7.518 15.982 ( 2.897 -8.072 -5.858) 10.386 16.348 ( 8.166 -2.349 -1.922) 8.712 16.722 ( -0.305 -1.509 1.033) 1.854 16.781 ( -0.716 0.095 0.037) 0.723 16.830 ( 1.372 0.940 1.916) 2.538 16.867 ( 0.116 -0.957 -0.775) 1.237 ======================= Grid point 7 (6/52) ======================= q-point: ( 0.40 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.549 ( 4.871 13.576 0.509) 14.433 0.604 ( 7.113 4.521 3.973) 9.318 0.703 ( -0.676 9.128 -0.981) 9.205 0.917 ( -1.786 -0.378 -0.900) 2.036 0.929 ( 1.375 1.854 2.254) 3.226 1.109 ( -0.812 1.509 -1.142) 2.059 1.141 ( 3.025 5.986 2.341) 7.104 1.205 ( 7.372 0.035 6.107) 9.573 1.254 ( 2.907 1.333 0.197) 3.204 1.306 ( 2.497 2.637 -4.257) 5.595 1.360 ( 0.889 1.748 -0.654) 2.068 1.388 ( -0.653 1.784 2.772) 3.361 1.422 ( -2.568 0.554 -3.815) 4.632 1.459 ( -4.392 0.838 0.971) 4.576 1.512 ( -0.168 1.875 0.510) 1.950 1.560 ( 2.490 0.779 -2.382) 3.533 1.587 ( 0.126 -1.719 -1.281) 2.148 1.660 ( -0.174 0.473 1.885) 1.951 1.745 ( -2.775 0.012 1.930) 3.380 1.780 ( -1.609 -0.506 -0.084) 1.689 1.837 ( 0.780 2.265 0.785) 2.521 1.868 ( -2.983 1.532 -1.462) 3.658 1.941 ( -3.051 5.024 -2.307) 6.314 1.979 ( 0.469 0.253 -0.587) 0.793 2.006 ( 3.599 -1.565 -0.625) 3.974 2.057 ( -0.755 -1.059 0.578) 1.424 2.084 ( 2.043 0.358 1.932) 2.834 2.097 ( -0.482 0.192 -0.484) 0.709 2.110 ( 0.061 -2.187 0.430) 2.229 2.179 ( -0.007 0.872 1.686) 1.898 2.214 ( -0.683 2.932 0.169) 3.016 2.258 ( -0.304 1.578 -3.893) 4.211 2.274 ( 0.747 1.054 -2.004) 2.385 2.335 ( 4.493 0.238 -2.053) 4.945 2.384 ( -3.013 -1.646 2.302) 4.133 2.469 ( -3.488 -2.729 6.172) 7.597 2.480 ( -2.421 -4.080 -1.843) 5.090 2.530 ( 0.707 1.538 -0.344) 1.727 2.571 ( -0.984 1.439 6.356) 6.590 2.597 ( -0.294 -8.380 -1.397) 8.500 2.658 ( -2.654 0.664 -6.107) 6.692 2.744 ( -1.755 -3.314 -0.692) 3.814 2.821 ( 0.723 2.130 -2.492) 3.357 2.856 ( 0.241 -4.579 -2.568) 5.255 2.911 ( -1.573 -0.891 0.432) 1.859 2.981 ( 1.320 -2.575 1.537) 3.276 3.016 ( -0.420 -1.075 0.773) 1.389 3.022 ( 0.593 0.729 -2.575) 2.741 3.081 ( -0.466 1.260 2.837) 3.139 3.167 ( 0.045 -2.151 -1.184) 2.456 3.207 ( 0.432 -0.417 0.009) 0.601 3.264 ( 0.101 1.608 -0.959) 1.875 3.284 ( 1.395 -1.304 0.933) 2.126 3.305 ( 3.031 -1.901 5.547) 6.601 3.384 ( -1.393 -1.021 -2.210) 2.805 3.398 ( -0.098 -0.611 0.877) 1.073 3.477 ( -1.555 -1.590 -0.077) 2.226 3.485 ( 2.085 -1.924 1.157) 3.064 3.531 ( 1.637 -0.257 1.153) 2.019 3.587 ( -0.796 1.915 -1.267) 2.430 3.955 ( 1.141 -2.694 0.945) 3.075 4.015 ( 2.718 -1.914 -1.120) 3.508 4.032 ( 0.666 -1.683 -1.013) 2.074 4.069 ( 0.669 -0.299 1.689) 1.841 4.109 ( -0.523 -0.579 0.377) 0.867 4.157 ( -1.711 -0.854 -0.349) 1.944 4.187 ( -3.406 -0.061 -1.487) 3.717 4.311 ( 0.321 -0.429 -0.375) 0.655 4.808 ( 0.223 -1.351 -0.545) 1.473 4.814 ( -0.726 -5.554 -0.026) 5.601 4.978 ( 0.768 -1.990 -0.871) 2.304 5.062 ( 2.238 0.434 0.502) 2.334 5.420 ( 0.909 1.278 -0.686) 1.712 5.668 ( 1.975 -1.261 1.940) 3.042 5.684 ( 0.902 -6.945 -0.531) 7.024 5.753 ( 3.723 2.998 3.571) 5.967 5.834 ( 4.221 -6.739 -4.566) 9.169 5.919 ( -2.405 -4.076 0.554) 4.765 6.257 ( -1.430 7.757 3.955) 8.824 6.445 ( -0.909 4.619 -8.171) 9.430 6.505 ( -0.701 -3.008 2.990) 4.299 6.603 ( -0.945 -6.750 -2.736) 7.345 6.636 ( -2.283 -4.897 -3.380) 6.373 6.777 ( -2.048 6.594 0.108) 6.906 7.063 ( 5.970 -0.312 -0.933) 6.050 7.240 ( -2.025 12.900 0.325) 13.062 7.263 ( 2.344 6.140 -1.793) 6.813 7.337 ( -7.399 1.567 2.390) 7.932 7.760 ( -0.789 -9.525 1.716) 9.710 8.016 ( 6.037 -1.658 1.738) 6.497 8.120 ( -3.907 -0.719 -1.241) 4.162 8.312 ( 1.361 0.322 3.230) 3.520 14.640 ( -0.166 1.060 0.293) 1.112 14.747 ( -0.665 4.196 1.778) 4.605 14.780 ( -0.548 1.215 -2.920) 3.210 15.040 ( -0.546 -2.015 0.945) 2.291 15.223 ( 0.784 1.489 0.592) 1.784 15.263 ( 4.942 -0.933 4.076) 6.473 15.365 ( 1.365 -1.596 3.457) 4.045 15.464 ( -4.951 1.387 -8.151) 9.637 15.537 ( -4.635 -1.716 -0.239) 4.948 15.953 ( 0.920 4.314 3.157) 5.424 15.999 ( 1.248 -10.344 -1.912) 10.593 16.414 ( 1.858 0.486 -1.255) 2.294 16.721 ( -0.235 -1.453 0.418) 1.530 16.769 ( -0.458 0.239 0.011) 0.517 16.853 ( 0.279 1.800 0.753) 1.971 16.864 ( 0.070 -0.719 -0.541) 0.902 ======================= Grid point 10 (7/52) ======================= q-point: ( 0.00 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 52 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.469 ( 0.000 9.420 0.000) 9.420 0.538 ( 0.000 12.622 0.000) 12.622 0.895 ( 0.000 -1.897 0.000) 1.897 0.956 ( 0.000 3.163 0.000) 3.163 1.103 ( 0.000 8.379 0.000) 8.379 1.125 ( 0.000 10.109 0.000) 10.109 1.202 ( 0.000 5.997 0.000) 5.997 1.204 ( 0.000 8.241 0.000) 8.241 1.319 ( 0.000 2.705 0.000) 2.705 1.325 ( 0.000 -3.964 0.000) 3.964 1.385 ( 0.000 7.016 0.000) 7.016 1.475 ( 0.000 5.551 0.000) 5.551 1.482 ( 0.000 3.667 0.000) 3.667 1.583 ( 0.000 2.892 0.000) 2.892 1.599 ( 0.000 1.266 0.000) 1.266 1.639 ( 0.000 7.218 0.000) 7.218 1.649 ( 0.000 -0.382 0.000) 0.382 1.699 ( 0.000 -0.744 0.000) 0.744 1.740 ( 0.000 -3.269 0.000) 3.269 1.747 ( 0.000 1.692 0.000) 1.692 1.822 ( 0.000 0.329 0.000) 0.329 1.847 ( 0.000 0.768 0.000) 0.768 1.855 ( 0.000 1.045 0.000) 1.045 1.928 ( 0.000 -0.165 0.000) 0.165 1.958 ( 0.000 -0.888 0.000) 0.888 1.976 ( 0.000 -7.650 0.000) 7.650 2.014 ( 0.000 0.751 0.000) 0.751 2.057 ( 0.000 2.204 0.000) 2.204 2.148 ( 0.000 -2.601 0.000) 2.601 2.202 ( 0.000 -5.727 0.000) 5.727 2.230 ( 0.000 -0.023 0.000) 0.023 2.254 ( 0.000 -1.770 0.000) 1.770 2.279 ( 0.000 -0.436 0.000) 0.436 2.342 ( 0.000 0.983 0.000) 0.983 2.402 ( 0.000 -3.574 0.000) 3.574 2.419 ( 0.000 -1.620 0.000) 1.620 2.483 ( 0.000 -7.131 0.000) 7.131 2.531 ( 0.000 0.742 0.000) 0.742 2.573 ( 0.000 1.113 0.000) 1.113 2.591 ( 0.000 -0.151 0.000) 0.151 2.744 ( 0.000 -8.895 0.000) 8.895 2.793 ( 0.000 -1.510 0.000) 1.510 2.820 ( 0.000 -0.280 0.000) 0.280 2.893 ( 0.000 -5.221 0.000) 5.221 2.915 ( 0.000 -2.113 0.000) 2.113 2.947 ( 0.000 1.843 0.000) 1.843 2.977 ( 0.000 -0.170 0.000) 0.170 3.003 ( 0.000 0.955 0.000) 0.955 3.016 ( 0.000 -0.397 0.000) 0.397 3.089 ( 0.000 1.036 0.000) 1.036 3.147 ( 0.000 -2.347 0.000) 2.347 3.178 ( 0.000 -1.146 0.000) 1.146 3.274 ( 0.000 1.662 0.000) 1.662 3.304 ( 0.000 -2.275 0.000) 2.275 3.349 ( 0.000 0.803 0.000) 0.803 3.366 ( 0.000 2.456 0.000) 2.456 3.399 ( 0.000 -1.691 0.000) 1.691 3.543 ( 0.000 5.688 0.000) 5.688 3.589 ( 0.000 -2.292 0.000) 2.292 3.605 ( 0.000 2.682 0.000) 2.682 3.875 ( 0.000 0.105 0.000) 0.105 3.966 ( 0.000 -0.255 0.000) 0.255 3.968 ( 0.000 -0.190 0.000) 0.190 4.104 ( 0.000 -1.815 0.000) 1.815 4.106 ( 0.000 -0.675 0.000) 0.675 4.177 ( 0.000 -1.543 0.000) 1.543 4.223 ( 0.000 -3.616 0.000) 3.616 4.252 ( 0.000 -2.668 0.000) 2.668 4.757 ( 0.000 -2.444 0.000) 2.444 4.788 ( 0.000 -1.401 0.000) 1.401 4.882 ( 0.000 -4.133 0.000) 4.133 4.934 ( 0.000 -3.977 0.000) 3.977 5.472 ( 0.000 -1.052 0.000) 1.052 5.477 ( 0.000 -0.931 0.000) 0.931 5.512 ( 0.000 -0.098 0.000) 0.098 5.586 ( 0.000 -1.555 0.000) 1.555 5.747 ( 0.000 2.404 0.000) 2.404 5.870 ( 0.000 -2.930 0.000) 2.930 6.257 ( 0.000 -1.893 0.000) 1.893 6.286 ( 0.000 -5.648 0.000) 5.648 6.550 ( 0.000 -2.525 0.000) 2.525 6.647 ( 0.000 1.598 0.000) 1.598 6.653 ( 0.000 -4.534 0.000) 4.534 7.232 ( 0.000 11.248 0.000) 11.248 7.238 ( 0.000 10.867 0.000) 10.867 7.383 ( 0.000 10.748 0.000) 10.748 7.447 ( 0.000 -12.923 0.000) 12.923 7.662 ( 0.000 -3.402 0.000) 3.402 7.693 ( 0.000 1.756 0.000) 1.756 7.756 ( 0.000 8.682 0.000) 8.682 7.907 ( 0.000 -3.238 0.000) 3.238 8.139 ( 0.000 -4.336 0.000) 4.336 14.667 ( 0.000 1.701 0.000) 1.701 14.752 ( 0.000 -0.578 0.000) 0.578 15.005 ( 0.000 0.552 0.000) 0.552 15.051 ( 0.000 1.121 0.000) 1.121 15.123 ( 0.000 0.067 0.000) 0.067 15.181 ( 0.000 -0.882 0.000) 0.882 15.315 ( 0.000 0.214 0.000) 0.214 15.572 ( 0.000 -6.298 0.000) 6.298 15.781 ( 0.000 -1.281 0.000) 1.281 15.870 ( 0.000 3.386 0.000) 3.386 16.004 ( 0.000 -0.362 0.000) 0.362 16.152 ( 0.000 -0.184 0.000) 0.184 16.713 ( 0.000 0.713 0.000) 0.713 16.789 ( 0.000 0.184 0.000) 0.184 16.821 ( 0.000 0.257 0.000) 0.257 16.837 ( 0.000 -1.992 0.000) 1.992 ======================= Grid point 11 (8/52) ======================= q-point: ( 0.20 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.530 ( 6.000 7.423 -0.386) 9.552 0.610 ( 6.167 8.260 4.916) 11.420 0.890 ( -1.899 -0.205 0.602) 2.002 0.974 ( 0.664 2.891 1.878) 3.511 1.031 ( 0.391 6.651 -4.585) 8.088 1.142 ( -3.327 5.361 -0.924) 6.376 1.173 ( -2.308 4.107 -0.752) 4.771 1.242 ( 4.045 6.294 -4.436) 8.698 1.302 ( 0.168 0.214 -1.331) 1.358 1.334 ( -1.701 0.429 2.667) 3.193 1.385 ( 1.834 9.911 1.721) 10.225 1.458 ( -1.498 0.775 -2.723) 3.203 1.491 ( 1.076 3.001 -2.052) 3.791 1.544 ( -2.139 4.577 0.055) 5.052 1.585 ( -2.341 -0.354 -0.602) 2.443 1.635 ( -2.115 3.299 0.415) 3.941 1.659 ( -0.061 1.199 1.173) 1.679 1.679 ( -0.507 8.003 1.649) 8.187 1.720 ( -0.523 -2.965 -2.703) 4.046 1.762 ( 0.983 -1.035 4.935) 5.137 1.838 ( 0.350 0.383 -2.109) 2.172 1.858 ( 5.109 1.081 -2.600) 5.833 1.898 ( 3.367 0.766 3.759) 5.104 1.955 ( 1.644 -2.628 1.523) 3.454 1.987 ( 2.041 2.424 -1.276) 3.416 2.024 ( 2.839 -0.592 1.596) 3.311 2.060 ( 2.334 -2.271 0.031) 3.257 2.069 ( 2.328 1.466 -0.253) 2.763 2.146 ( 1.246 -2.404 -1.505) 3.098 2.184 ( -1.002 -2.006 -0.526) 2.303 2.211 ( -0.282 -2.217 1.119) 2.500 2.278 ( -1.175 -0.691 3.386) 3.650 2.303 ( -2.013 3.058 4.234) 5.598 2.353 ( 0.683 -3.917 3.920) 5.583 2.380 ( -1.176 -2.327 -1.456) 2.986 2.402 ( -1.377 -1.139 -3.418) 3.857 2.452 ( -3.545 -1.058 1.363) 3.943 2.486 ( -1.212 -5.575 -1.160) 5.822 2.507 ( -2.284 0.220 0.799) 2.430 2.607 ( -2.283 -1.520 -1.845) 3.305 2.723 ( -3.777 -2.383 -3.963) 5.970 2.764 ( -0.974 -1.372 -2.633) 3.124 2.805 ( 2.076 -5.957 -0.601) 6.337 2.841 ( -3.633 -0.506 -1.098) 3.829 2.890 ( -1.223 -2.772 -0.620) 3.092 2.967 ( -1.539 0.542 3.075) 3.482 2.984 ( -0.316 1.785 -1.008) 2.074 2.995 ( 0.693 -2.663 1.374) 3.076 3.067 ( 2.483 0.417 0.382) 2.547 3.113 ( 2.086 -0.514 1.484) 2.611 3.161 ( 3.094 -3.464 0.695) 4.696 3.228 ( -1.358 -2.326 -2.659) 3.785 3.255 ( 0.521 1.096 3.516) 3.720 3.301 ( 0.697 1.091 -0.208) 1.311 3.329 ( 0.867 -0.668 -2.427) 2.662 3.373 ( 0.400 0.010 -0.652) 0.765 3.418 ( 0.052 -0.161 3.904) 3.908 3.532 ( -3.750 -1.008 -1.270) 4.086 3.541 ( -0.375 3.725 0.139) 3.746 3.628 ( 0.945 1.128 -0.690) 1.625 3.893 ( 1.246 -0.512 0.416) 1.410 3.951 ( 0.873 0.208 -1.182) 1.484 4.004 ( 1.379 -1.227 2.471) 3.084 4.045 ( -2.237 -0.603 -2.005) 3.064 4.116 ( -1.376 -1.463 0.508) 2.072 4.163 ( -1.376 -2.190 -0.482) 2.631 4.227 ( -1.964 -1.715 0.410) 2.640 4.262 ( 2.718 -2.035 -0.324) 3.410 4.746 ( -1.000 -2.749 -0.407) 2.953 4.782 ( -0.399 -1.701 -0.414) 1.796 4.894 ( 1.136 -4.531 -0.713) 4.725 4.954 ( 2.705 -4.078 0.116) 4.895 5.438 ( -0.095 1.118 0.058) 1.124 5.536 ( 5.018 -3.228 0.907) 6.035 5.607 ( 5.165 -0.179 -1.050) 5.273 5.611 ( 3.977 -2.551 -3.143) 5.675 5.750 ( -0.143 0.757 2.227) 2.357 5.866 ( -0.851 -3.970 0.498) 4.091 6.256 ( -0.003 -0.734 3.665) 3.738 6.311 ( 0.981 -5.929 2.489) 6.505 6.535 ( -1.545 -1.202 1.643) 2.555 6.622 ( -0.103 1.788 -3.023) 3.514 6.699 ( 1.376 -2.436 2.221) 3.572 7.098 ( -4.022 7.563 -11.472) 14.318 7.155 ( -8.235 11.808 -8.593) 16.766 7.378 ( -6.434 1.130 -2.597) 7.029 7.441 ( 1.667 4.590 4.245) 6.471 7.541 ( -0.079 2.122 1.245) 2.461 7.586 ( -8.761 -3.048 0.627) 9.297 7.877 ( 6.313 1.643 2.696) 7.059 8.108 ( 7.836 -5.240 5.644) 10.987 8.130 ( 0.588 -3.437 1.790) 3.919 14.669 ( -0.201 1.688 0.816) 1.886 14.754 ( 0.061 -0.553 0.386) 0.677 14.967 ( -3.866 4.268 -3.307) 6.640 15.019 ( -2.056 0.804 3.718) 4.324 15.154 ( 1.819 -0.561 2.844) 3.423 15.201 ( 2.042 -1.293 1.378) 2.782 15.317 ( 0.741 0.746 -0.574) 1.198 15.545 ( -3.705 -5.538 1.426) 6.814 15.672 ( -5.119 0.144 -10.370) 11.566 15.842 ( -2.321 -5.801 -10.002) 11.793 15.987 ( 2.067 6.825 9.228) 11.662 16.301 ( 7.221 -2.690 3.107) 8.309 16.715 ( -0.154 0.679 0.505) 0.860 16.785 ( -0.391 0.376 -0.013) 0.543 16.834 ( 0.756 -1.162 0.468) 1.463 16.842 ( 0.782 -0.930 0.146) 1.223 ======================= Grid point 12 (9/52) ======================= q-point: ( 0.40 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.639 ( 5.287 3.383 -0.404) 6.290 0.773 ( 6.194 3.037 2.125) 7.219 0.841 ( -3.142 3.400 3.498) 5.803 0.971 ( -1.638 1.191 -1.030) 2.272 1.011 ( -1.193 9.886 -2.390) 10.241 1.118 ( -1.820 -0.144 -0.095) 1.828 1.160 ( 3.697 -1.553 3.349) 5.225 1.212 ( 1.744 0.064 -5.114) 5.403 1.309 ( -2.760 1.613 1.722) 3.631 1.363 ( 0.147 -2.060 -1.406) 2.499 1.385 ( -1.576 1.623 -1.540) 2.737 1.421 ( -0.525 7.271 0.594) 7.314 1.444 ( -1.988 1.204 -6.477) 6.882 1.476 ( -2.174 5.387 2.982) 6.530 1.587 ( 0.274 6.000 -0.130) 6.008 1.636 ( 4.369 3.835 -1.492) 6.002 1.671 ( -0.148 0.561 2.912) 2.969 1.698 ( 0.309 6.068 -0.030) 6.076 1.716 ( 0.426 -0.784 -1.125) 1.436 1.804 ( -1.666 0.370 2.669) 3.168 1.868 ( 3.309 0.511 1.726) 3.768 1.912 ( 1.586 4.817 -0.312) 5.081 1.953 ( 0.941 -4.616 0.166) 4.713 1.977 ( 0.447 0.470 -0.479) 0.806 2.013 ( 2.466 1.397 0.832) 2.953 2.042 ( -2.543 0.899 -0.309) 2.715 2.081 ( -1.358 1.127 -2.704) 3.229 2.102 ( 1.625 0.993 1.166) 2.233 2.144 ( 0.120 1.797 1.958) 2.660 2.189 ( 0.843 0.431 0.851) 1.273 2.254 ( 1.476 0.086 -0.622) 1.605 2.270 ( -0.635 1.275 4.941) 5.142 2.300 ( 3.442 -1.928 -2.195) 4.515 2.330 ( -0.130 1.155 -3.448) 3.639 2.362 ( -1.517 -3.724 -0.238) 4.028 2.394 ( -3.742 -2.637 2.981) 5.463 2.397 ( -1.444 -1.582 1.695) 2.732 2.451 ( -1.971 -5.134 -0.495) 5.521 2.522 ( 2.218 -2.398 0.031) 3.267 2.586 ( 1.848 -0.665 2.579) 3.242 2.633 ( -2.970 -3.033 -2.245) 4.802 2.690 ( -4.659 -2.511 -4.491) 6.941 2.762 ( -1.587 -0.724 -1.381) 2.225 2.848 ( 0.391 -5.157 0.578) 5.204 2.874 ( 0.965 -2.471 -2.950) 3.967 2.933 ( -3.427 1.817 3.900) 5.500 2.988 ( 0.763 -0.478 0.230) 0.929 3.040 ( 3.730 -0.221 -1.175) 3.917 3.095 ( -0.786 0.182 4.892) 4.958 3.144 ( -1.930 0.313 -6.397) 6.689 3.165 ( 0.531 -3.235 0.629) 3.338 3.215 ( 1.366 -3.747 0.670) 4.044 3.272 ( 1.705 -1.742 3.668) 4.404 3.325 ( 0.514 2.245 -0.815) 2.443 3.351 ( -0.515 -3.860 1.042) 4.031 3.363 ( -0.776 -0.926 -2.162) 2.477 3.423 ( -1.478 0.114 -1.185) 1.898 3.486 ( 0.901 -1.401 4.022) 4.353 3.543 ( -0.172 2.250 -1.222) 2.566 3.628 ( 0.093 1.515 -1.256) 1.970 3.907 ( 0.254 -1.741 -0.028) 1.759 3.970 ( 0.465 -2.409 -1.047) 2.668 4.011 ( 1.679 -0.332 -0.219) 1.726 4.058 ( -0.241 -0.741 2.076) 2.217 4.080 ( -0.811 -1.951 0.033) 2.113 4.133 ( -1.381 -1.978 -0.714) 2.516 4.190 ( -1.462 0.965 -0.425) 1.803 4.299 ( 1.041 -0.755 0.149) 1.294 4.726 ( -0.650 -3.004 -0.271) 3.085 4.773 ( -0.192 -2.240 -0.266) 2.264 4.907 ( 0.638 -4.621 -0.353) 4.678 5.010 ( 2.198 -5.029 0.301) 5.496 5.461 ( 1.802 2.558 -0.209) 3.136 5.601 ( 0.549 -2.098 -1.366) 2.563 5.652 ( 1.134 -0.142 1.981) 2.287 5.680 ( 5.284 -6.093 -0.522) 8.082 5.764 ( -0.538 -3.952 -0.450) 4.014 5.832 ( -2.292 -2.922 -0.967) 3.838 6.333 ( 1.670 -5.899 1.588) 6.333 6.344 ( 3.126 -1.902 7.004) 7.902 6.529 ( -0.717 1.699 3.686) 4.122 6.603 ( -0.201 7.064 -4.684) 8.478 6.653 ( -5.041 3.732 -4.587) 7.771 6.947 ( -3.450 8.425 -3.802) 9.866 7.071 ( 2.380 1.408 -3.759) 4.666 7.289 ( -1.613 -1.644 0.285) 2.320 7.379 ( -7.842 -0.208 -1.516) 7.990 7.511 ( 1.146 12.409 1.652) 12.571 7.595 ( 0.593 -5.254 2.162) 5.712 7.979 ( 3.598 -1.161 0.839) 3.872 8.092 ( -1.894 -1.935 -0.284) 2.723 8.262 ( 3.033 -5.392 2.828) 6.802 14.668 ( -0.294 1.655 0.422) 1.733 14.759 ( 0.165 -0.791 0.518) 0.960 14.890 ( -2.174 7.034 -0.979) 7.427 15.015 ( -0.367 0.365 0.773) 0.930 15.216 ( 2.376 -2.454 3.037) 4.571 15.258 ( 1.601 -0.685 1.272) 2.157 15.333 ( 1.264 -0.889 2.209) 2.696 15.471 ( -3.594 -0.880 -6.003) 7.051 15.522 ( -4.056 0.837 -1.707) 4.479 15.779 ( 0.069 -10.414 -4.247) 11.247 16.066 ( 1.219 6.441 3.443) 7.405 16.395 ( 2.174 -2.501 0.599) 3.367 16.714 ( -0.127 0.723 0.235) 0.771 16.778 ( -0.266 0.715 -0.019) 0.763 16.840 ( 0.226 -1.647 -0.371) 1.703 16.864 ( 0.593 -0.591 0.725) 1.108 ======================= Grid point 15 (10/52) ======================= q-point: ( 0.00 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 52 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.638 ( 0.000 7.842 0.000) 7.842 0.765 ( 0.000 9.820 0.000) 9.820 0.789 ( 0.000 -7.046 0.000) 7.046 0.921 ( 0.000 -5.258 0.000) 5.258 1.179 ( 0.000 1.538 0.000) 1.538 1.229 ( 0.000 -3.100 0.000) 3.100 1.260 ( 0.000 4.502 0.000) 4.502 1.311 ( 0.000 0.106 0.000) 0.106 1.347 ( 0.000 6.360 0.000) 6.360 1.409 ( 0.000 5.745 0.000) 5.745 1.487 ( 0.000 -1.486 0.000) 1.486 1.540 ( 0.000 -4.568 0.000) 4.568 1.544 ( 0.000 4.247 0.000) 4.247 1.590 ( 0.000 1.941 0.000) 1.941 1.630 ( 0.000 -0.135 0.000) 0.135 1.636 ( 0.000 0.252 0.000) 0.252 1.699 ( 0.000 -1.059 0.000) 1.059 1.702 ( 0.000 -0.652 0.000) 0.652 1.765 ( 0.000 4.971 0.000) 4.971 1.790 ( 0.000 4.325 0.000) 4.325 1.837 ( 0.000 -0.815 0.000) 0.815 1.853 ( 0.000 0.614 0.000) 0.614 1.892 ( 0.000 -0.782 0.000) 0.782 1.911 ( 0.000 0.948 0.000) 0.948 1.971 ( 0.000 5.439 0.000) 5.439 1.972 ( 0.000 1.537 0.000) 1.537 2.065 ( 0.000 0.795 0.000) 0.795 2.083 ( 0.000 -3.793 0.000) 3.793 2.097 ( 0.000 1.877 0.000) 1.877 2.131 ( 0.000 2.352 0.000) 2.352 2.196 ( 0.000 1.411 0.000) 1.411 2.212 ( 0.000 -3.298 0.000) 3.298 2.235 ( 0.000 -3.228 0.000) 3.228 2.313 ( 0.000 -8.485 0.000) 8.485 2.362 ( 0.000 -0.643 0.000) 0.643 2.385 ( 0.000 -2.960 0.000) 2.960 2.415 ( 0.000 4.759 0.000) 4.759 2.525 ( 0.000 -8.051 0.000) 8.051 2.555 ( 0.000 1.747 0.000) 1.747 2.592 ( 0.000 -1.680 0.000) 1.680 2.613 ( 0.000 3.713 0.000) 3.713 2.734 ( 0.000 -7.280 0.000) 7.280 2.782 ( 0.000 0.563 0.000) 0.563 2.823 ( 0.000 -3.557 0.000) 3.557 2.909 ( 0.000 3.629 0.000) 3.629 2.965 ( 0.000 -0.778 0.000) 0.778 3.001 ( 0.000 1.794 0.000) 1.794 3.029 ( 0.000 1.220 0.000) 1.220 3.037 ( 0.000 1.089 0.000) 1.089 3.060 ( 0.000 -3.408 0.000) 3.408 3.122 ( 0.000 0.224 0.000) 0.224 3.146 ( 0.000 -1.846 0.000) 1.846 3.270 ( 0.000 -0.422 0.000) 0.422 3.279 ( 0.000 -0.715 0.000) 0.715 3.375 ( 0.000 0.859 0.000) 0.859 3.387 ( 0.000 -0.139 0.000) 0.139 3.408 ( 0.000 3.537 0.000) 3.537 3.507 ( 0.000 -5.373 0.000) 5.373 3.630 ( 0.000 2.492 0.000) 2.492 3.643 ( 0.000 0.946 0.000) 0.946 3.911 ( 0.000 2.505 0.000) 2.505 3.951 ( 0.000 -1.413 0.000) 1.413 4.009 ( 0.000 4.076 0.000) 4.076 4.081 ( 0.000 -2.103 0.000) 2.103 4.094 ( 0.000 0.872 0.000) 0.872 4.131 ( 0.000 -2.733 0.000) 2.733 4.169 ( 0.000 -1.155 0.000) 1.155 4.191 ( 0.000 -2.904 0.000) 2.904 4.726 ( 0.000 -0.209 0.000) 0.209 4.754 ( 0.000 -2.309 0.000) 2.309 4.819 ( 0.000 -0.631 0.000) 0.631 4.853 ( 0.000 -3.428 0.000) 3.428 5.447 ( 0.000 -0.873 0.000) 0.873 5.447 ( 0.000 -0.845 0.000) 0.845 5.541 ( 0.000 1.592 0.000) 1.592 5.566 ( 0.000 -0.925 0.000) 0.925 5.781 ( 0.000 1.211 0.000) 1.211 5.812 ( 0.000 -2.247 0.000) 2.247 6.228 ( 0.000 -0.606 0.000) 0.606 6.236 ( 0.000 -0.784 0.000) 0.784 6.519 ( 0.000 0.300 0.000) 0.300 6.563 ( 0.000 -3.811 0.000) 3.811 6.807 ( 0.000 12.893 0.000) 12.893 7.112 ( 0.000 -16.221 0.000) 16.221 7.437 ( 0.000 7.656 0.000) 7.656 7.460 ( 0.000 6.406 0.000) 6.406 7.568 ( 0.000 7.316 0.000) 7.316 7.609 ( 0.000 -1.729 0.000) 1.729 7.686 ( 0.000 -0.878 0.000) 0.878 7.794 ( 0.000 -7.829 0.000) 7.829 7.912 ( 0.000 6.858 0.000) 6.858 8.036 ( 0.000 -5.648 0.000) 5.648 14.702 ( 0.000 1.709 0.000) 1.709 14.733 ( 0.000 -1.270 0.000) 1.270 15.040 ( 0.000 2.346 0.000) 2.346 15.066 ( 0.000 0.042 0.000) 0.042 15.124 ( 0.000 0.345 0.000) 0.345 15.149 ( 0.000 -2.016 0.000) 2.016 15.351 ( 0.000 3.320 0.000) 3.320 15.445 ( 0.000 -5.887 0.000) 5.887 15.788 ( 0.000 1.900 0.000) 1.900 15.847 ( 0.000 -3.434 0.000) 3.434 16.063 ( 0.000 4.202 0.000) 4.202 16.129 ( 0.000 -2.198 0.000) 2.198 16.743 ( 0.000 2.073 0.000) 2.073 16.788 ( 0.000 -1.853 0.000) 1.853 16.801 ( 0.000 0.041 0.000) 0.041 16.814 ( 0.000 -0.715 0.000) 0.715 ======================= Grid point 16 (11/52) ======================= q-point: ( 0.20 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.669 ( 3.697 6.833 -1.504) 7.913 0.773 ( 2.206 6.684 -0.874) 7.093 0.809 ( 0.855 -4.964 0.848) 5.108 0.918 ( 0.311 -5.619 -1.322) 5.781 1.130 ( -2.580 2.960 0.055) 3.927 1.194 ( -3.193 -3.028 -0.005) 4.400 1.259 ( -2.437 5.296 -2.702) 6.425 1.306 ( -0.226 3.448 -4.550) 5.714 1.334 ( 1.207 1.924 0.506) 2.327 1.389 ( -3.524 0.403 -0.728) 3.621 1.468 ( -1.217 1.389 -2.755) 3.317 1.520 ( 0.305 0.747 1.080) 1.348 1.553 ( -0.920 1.069 -0.838) 1.640 1.590 ( 0.207 2.285 0.157) 2.299 1.625 ( -1.080 0.157 -2.668) 2.882 1.654 ( 1.283 2.707 1.734) 3.461 1.671 ( 0.038 -0.420 -2.506) 2.542 1.684 ( -1.973 -1.233 0.739) 2.441 1.767 ( 2.332 1.888 1.638) 3.418 1.783 ( -0.711 3.555 1.868) 4.078 1.841 ( 1.134 -1.861 -1.314) 2.545 1.886 ( 6.216 0.348 -1.452) 6.392 1.903 ( 0.552 -0.024 -1.468) 1.569 1.967 ( 4.677 -0.408 1.990) 5.099 2.028 ( 1.533 4.979 3.826) 6.464 2.044 ( 0.621 3.904 -0.161) 3.956 2.084 ( 1.963 0.917 3.078) 3.764 2.096 ( 3.080 -0.161 0.999) 3.242 2.111 ( -0.320 -0.803 2.982) 3.104 2.153 ( 1.659 0.738 2.058) 2.744 2.169 ( -1.742 -0.038 1.438) 2.259 2.231 ( 0.698 -4.769 0.566) 4.853 2.247 ( 1.056 -2.401 0.833) 2.752 2.298 ( -2.097 -5.390 2.301) 6.224 2.352 ( -0.321 -0.889 1.351) 1.649 2.382 ( -0.508 -1.224 -2.371) 2.716 2.409 ( -1.122 1.885 1.703) 2.777 2.498 ( -3.537 -3.581 1.812) 5.349 2.506 ( -2.851 4.022 -0.790) 4.993 2.567 ( 1.201 -0.857 -3.241) 3.561 2.654 ( 0.811 -1.493 -5.632) 5.883 2.696 ( -1.882 -4.736 -3.943) 6.444 2.750 ( -3.194 -0.160 2.761) 4.225 2.789 ( -1.770 -4.431 0.553) 4.804 2.886 ( -2.652 4.097 0.299) 4.890 2.962 ( -1.656 -1.943 1.772) 3.108 2.996 ( -0.442 2.032 0.452) 2.128 3.038 ( 0.720 1.960 -1.209) 2.413 3.065 ( 1.453 -1.812 2.887) 3.706 3.079 ( 1.916 -2.220 -0.043) 2.933 3.116 ( 1.555 0.195 -1.314) 2.045 3.150 ( 0.527 -3.471 -3.868) 5.224 3.279 ( 0.611 1.249 2.379) 2.755 3.303 ( -0.311 -0.831 0.806) 1.198 3.365 ( -0.522 2.846 -1.911) 3.467 3.378 ( -0.189 0.886 0.114) 0.913 3.417 ( 0.144 0.040 3.165) 3.169 3.471 ( -2.975 -4.279 -0.992) 5.305 3.614 ( -0.777 2.620 -1.462) 3.100 3.639 ( 0.220 -0.099 -1.894) 1.910 3.906 ( -0.473 1.236 -0.425) 1.390 3.934 ( -0.882 -1.603 -0.893) 2.036 4.024 ( 0.580 2.889 0.935) 3.091 4.052 ( -1.566 0.974 -1.233) 2.219 4.084 ( -1.663 -1.512 0.897) 2.420 4.106 ( -1.662 -2.936 0.610) 3.429 4.204 ( 0.921 -0.331 1.228) 1.570 4.222 ( 3.448 -1.843 0.828) 3.997 4.716 ( -1.061 -0.058 -0.347) 1.118 4.744 ( -0.914 -2.258 -0.552) 2.497 4.826 ( 0.974 -0.769 -0.328) 1.283 4.866 ( 1.662 -3.975 -0.208) 4.313 5.453 ( 1.002 0.690 1.475) 1.912 5.479 ( 2.987 -2.137 1.368) 3.919 5.595 ( 5.313 0.569 -4.911) 7.257 5.609 ( 5.191 -0.375 -3.455) 6.247 5.758 ( -2.834 0.647 1.597) 3.317 5.792 ( -2.345 -2.848 1.091) 3.847 6.241 ( 0.875 -0.418 1.472) 1.762 6.252 ( 0.481 -1.125 2.424) 2.716 6.534 ( 0.732 1.851 3.497) 4.024 6.599 ( 2.501 -4.096 4.124) 6.328 6.805 ( -0.207 12.034 -0.070) 12.036 7.068 ( -2.833 -11.830 -3.465) 12.649 7.346 ( -9.277 7.096 -8.449) 14.415 7.381 ( -6.206 5.772 -6.727) 10.821 7.469 ( -2.918 -3.119 -1.281) 4.459 7.514 ( -5.378 -3.442 -3.067) 7.084 7.715 ( 2.219 10.899 5.056) 12.218 7.903 ( 2.496 -4.318 7.128) 8.699 7.999 ( 6.153 -1.045 0.881) 6.303 8.056 ( 2.100 -3.848 1.793) 4.736 14.703 ( -0.269 1.668 0.815) 1.876 14.734 ( -0.152 -1.324 0.588) 1.456 15.040 ( 0.059 3.231 -0.488) 3.268 15.060 ( -1.869 1.872 3.659) 4.515 15.139 ( 0.287 -0.788 2.181) 2.337 15.156 ( 0.935 -2.663 0.524) 2.870 15.350 ( 0.215 2.726 -0.002) 2.734 15.431 ( -1.218 -5.259 0.856) 5.466 15.687 ( -4.593 1.746 -10.210) 11.331 15.745 ( -4.636 -3.917 -10.577) 12.194 16.123 ( 2.966 6.277 6.741) 9.677 16.231 ( 5.077 -4.415 4.990) 8.377 16.744 ( 0.006 2.060 0.159) 2.066 16.787 ( -0.044 -1.572 0.012) 1.573 16.805 ( 0.408 0.155 -0.029) 0.438 16.824 ( 0.716 -1.129 0.497) 1.426 ======================= Grid point 17 (12/52) ======================= q-point: ( 0.40 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.728 ( 3.519 5.288 -1.797) 6.601 0.800 ( -1.722 0.540 0.782) 1.967 0.848 ( 4.388 -1.204 1.747) 4.874 0.912 ( -0.615 -5.417 -0.999) 5.543 1.115 ( -0.506 0.579 -0.640) 1.000 1.132 ( -1.447 -0.676 -1.637) 2.287 1.201 ( -0.824 5.448 0.017) 5.510 1.249 ( -3.296 1.882 -3.571) 5.211 1.334 ( -1.851 1.828 1.052) 2.807 1.351 ( 0.578 1.512 -0.085) 1.621 1.433 ( -0.657 1.545 -1.362) 2.162 1.493 ( -2.010 5.393 -3.483) 6.728 1.500 ( -1.653 -2.331 0.829) 2.976 1.593 ( -0.147 5.409 0.999) 5.503 1.620 ( 1.000 -4.785 -0.786) 4.952 1.666 ( -0.283 -0.857 0.768) 1.186 1.698 ( 2.842 1.558 -0.038) 3.241 1.722 ( 3.056 -0.750 -1.204) 3.369 1.789 ( 0.133 4.378 1.057) 4.506 1.810 ( -0.824 1.749 2.236) 2.956 1.877 ( 2.068 1.039 -0.299) 2.333 1.890 ( 0.334 2.190 -1.293) 2.564 1.967 ( 1.228 -1.302 1.160) 2.133 2.022 ( 1.150 -2.520 0.688) 2.854 2.028 ( -0.503 3.786 -0.445) 3.845 2.080 ( 0.862 2.021 1.528) 2.676 2.092 ( -0.604 1.265 0.503) 1.489 2.122 ( -0.250 0.017 0.329) 0.414 2.154 ( 2.117 -1.447 1.036) 2.765 2.179 ( 2.514 -2.605 0.109) 3.622 2.189 ( -0.562 -2.594 1.518) 3.058 2.229 ( -1.571 -5.736 1.550) 6.146 2.299 ( 3.255 0.975 0.349) 3.416 2.316 ( 2.709 2.721 0.793) 3.921 2.349 ( -1.542 -0.788 1.160) 2.085 2.361 ( 0.713 -0.715 -1.032) 1.444 2.399 ( -1.189 0.314 1.840) 2.213 2.421 ( -5.206 1.474 0.950) 5.493 2.506 ( 0.181 1.474 2.307) 2.744 2.552 ( -0.016 -2.126 -2.566) 3.332 2.596 ( -0.428 0.178 -3.831) 3.859 2.633 ( -2.062 -2.322 -4.475) 5.447 2.736 ( -0.497 -2.298 2.875) 3.714 2.788 ( 0.100 -4.171 -0.751) 4.239 2.839 ( -1.535 4.022 -0.179) 4.309 2.932 ( -2.143 -3.269 1.285) 4.114 2.997 ( 0.567 1.324 -0.441) 1.507 3.041 ( 0.002 -1.821 -0.137) 1.827 3.087 ( -0.100 0.363 0.856) 0.935 3.117 ( 1.418 1.361 -0.154) 1.972 3.137 ( 0.237 -2.646 1.769) 3.191 3.155 ( 2.081 -2.238 -1.376) 3.352 3.250 ( -2.125 0.825 -0.501) 2.334 3.281 ( -2.053 -2.123 -1.632) 3.374 3.359 ( 0.457 0.752 -0.902) 1.260 3.373 ( -0.869 0.682 0.785) 1.355 3.438 ( -0.155 0.394 0.105) 0.436 3.447 ( 0.852 -1.381 2.311) 2.824 3.595 ( -0.348 2.466 -1.049) 2.702 3.632 ( 0.283 -1.043 -1.232) 1.639 3.893 ( -0.430 0.398 -0.328) 0.672 3.921 ( -0.127 -2.256 -0.599) 2.338 4.017 ( -0.052 0.819 -0.604) 1.018 4.043 ( -1.691 -1.606 -0.553) 2.397 4.057 ( 0.529 0.792 1.417) 1.707 4.088 ( -1.255 -2.063 0.419) 2.451 4.228 ( 0.734 2.486 0.671) 2.677 4.274 ( 1.413 -1.844 0.636) 2.408 4.694 ( -0.713 -0.017 -0.266) 0.761 4.724 ( -0.605 -2.525 -0.377) 2.623 4.843 ( 0.730 -0.419 -0.113) 0.850 4.897 ( 1.290 -5.156 0.049) 5.315 5.509 ( 3.803 2.147 1.491) 4.615 5.562 ( 4.146 -3.290 2.184) 5.726 5.599 ( -1.247 0.770 -3.496) 3.790 5.650 ( 0.629 -2.880 -5.119) 5.908 5.715 ( -2.162 1.668 1.541) 3.136 5.773 ( -0.243 -3.223 1.020) 3.390 6.255 ( -0.089 -0.832 0.690) 1.085 6.283 ( 0.718 -3.163 1.822) 3.720 6.609 ( 3.963 4.462 6.192) 8.600 6.674 ( 0.998 -1.566 2.269) 2.932 6.797 ( -0.345 11.191 -0.912) 11.234 7.004 ( -0.862 -7.319 -3.333) 8.088 7.118 ( -6.811 6.565 -4.948) 10.676 7.250 ( -3.867 -5.006 -5.169) 8.170 7.362 ( -4.446 4.296 0.139) 6.184 7.486 ( 0.163 -5.806 -0.102) 5.809 7.777 ( 1.317 12.064 2.013) 12.301 7.950 ( 0.241 -3.770 1.904) 4.230 8.064 ( 1.475 -0.010 0.078) 1.477 8.125 ( 2.195 -6.474 1.831) 7.077 14.702 ( -0.290 1.670 0.446) 1.753 14.734 ( -0.135 -1.530 0.393) 1.586 15.030 ( -0.699 6.428 0.110) 6.467 15.056 ( -0.506 3.074 1.514) 3.463 15.154 ( 0.345 -3.231 0.862) 3.362 15.184 ( 0.566 -5.438 1.621) 5.703 15.363 ( 0.774 3.311 1.422) 3.685 15.436 ( 0.525 -2.992 1.131) 3.242 15.551 ( -3.271 1.829 -5.122) 6.346 15.614 ( -2.396 -5.419 -7.473) 9.537 16.199 ( 1.334 6.532 2.744) 7.209 16.317 ( 1.816 -5.078 1.781) 5.679 16.745 ( 0.010 2.135 0.064) 2.136 16.787 ( 0.003 -1.196 0.004) 1.196 16.812 ( 0.262 0.234 -0.055) 0.355 16.839 ( 0.393 -1.643 0.392) 1.734 ======================= Grid point 35 (13/52) ======================= q-point: ( 0.00 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 52 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.153 ( -6.661 0.000 11.583) 13.362 0.300 ( -3.023 0.000 15.808) 16.095 0.488 ( 6.430 0.000 24.559) 25.387 0.609 ( -1.810 0.000 2.748) 3.291 0.907 ( 2.079 0.000 7.647) 7.924 0.931 ( -0.429 0.000 -6.237) 6.251 1.004 ( 3.733 0.000 2.451) 4.466 1.086 ( 3.999 0.000 -6.058) 7.259 1.198 ( -1.437 0.000 0.547) 1.538 1.225 ( -1.833 0.000 -0.559) 1.916 1.286 ( 0.505 0.000 -1.996) 2.059 1.397 ( 4.568 0.000 -4.406) 6.347 1.415 ( -1.139 0.000 -3.684) 3.856 1.452 ( 0.787 0.000 1.510) 1.703 1.572 ( 1.966 0.000 -0.583) 2.050 1.601 ( -4.981 0.000 4.293) 6.575 1.632 ( 0.123 0.000 0.334) 0.356 1.731 ( -0.491 0.000 1.825) 1.889 1.749 ( 5.027 0.000 -4.316) 6.625 1.786 ( -0.079 0.000 2.051) 2.052 1.856 ( -4.531 0.000 -0.128) 4.533 1.873 ( 0.182 0.000 -1.607) 1.617 1.883 ( -3.790 0.000 3.112) 4.904 1.944 ( 2.134 0.000 0.977) 2.347 1.952 ( 0.114 0.000 2.274) 2.277 2.027 ( 1.536 0.000 2.116) 2.614 2.071 ( -1.805 0.000 -7.701) 7.909 2.118 ( -1.186 0.000 -0.339) 1.233 2.181 ( 0.360 0.000 3.107) 3.128 2.185 ( 0.428 0.000 -4.094) 4.117 2.269 ( -8.552 0.000 5.290) 10.055 2.318 ( 0.677 0.000 1.045) 1.245 2.337 ( -0.436 0.000 -0.123) 0.453 2.346 ( 6.606 0.000 -7.399) 9.919 2.428 ( -3.884 0.000 -1.506) 4.166 2.451 ( 1.658 0.000 4.863) 5.138 2.503 ( 2.972 0.000 -1.529) 3.342 2.606 ( -2.897 0.000 -4.422) 5.286 2.630 ( 0.759 0.000 -11.942) 11.966 2.660 ( 1.321 0.000 0.009) 1.322 2.709 ( 2.840 0.000 6.508) 7.100 2.750 ( 7.712 0.000 -7.015) 10.425 2.793 ( 2.354 0.000 -2.292) 3.286 2.814 ( -0.130 0.000 -6.104) 6.105 2.866 ( -4.310 0.000 -2.928) 5.210 2.965 ( -5.696 0.000 0.211) 5.699 3.045 ( -5.602 0.000 3.676) 6.701 3.100 ( 0.880 0.000 -0.052) 0.881 3.122 ( 1.868 0.000 -2.822) 3.384 3.147 ( -0.839 0.000 4.038) 4.124 3.204 ( 4.714 0.000 3.156) 5.673 3.205 ( -0.724 0.000 9.792) 9.819 3.220 ( -0.786 0.000 -1.373) 1.582 3.393 ( 1.400 0.000 0.879) 1.653 3.403 ( -0.180 0.000 -0.606) 0.632 3.404 ( 1.829 0.000 1.952) 2.675 3.417 ( -0.038 0.000 -1.989) 1.989 3.421 ( 0.360 0.000 2.398) 2.425 3.523 ( 0.993 0.000 2.632) 2.813 3.661 ( 1.659 0.000 0.179) 1.668 3.908 ( -0.282 0.000 1.094) 1.130 3.964 ( 3.740 0.000 0.479) 3.771 4.013 ( -2.559 0.000 1.533) 2.983 4.116 ( 0.259 0.000 -1.152) 1.181 4.157 ( -1.781 0.000 -0.319) 1.810 4.228 ( 1.183 0.000 1.137) 1.641 4.285 ( -0.748 0.000 -1.891) 2.034 4.296 ( -0.393 0.000 -1.690) 1.735 4.834 ( -1.358 0.000 0.701) 1.528 4.907 ( 2.652 0.000 2.233) 3.467 4.956 ( -0.293 0.000 -0.803) 0.855 5.021 ( -7.581 0.000 -1.964) 7.832 5.427 ( -4.014 0.000 0.581) 4.056 5.544 ( -1.826 0.000 6.137) 6.403 5.552 ( 3.126 0.000 -1.280) 3.377 5.703 ( 2.885 0.000 -0.056) 2.886 5.901 ( -3.534 0.000 3.597) 5.043 5.973 ( -29.989 0.000 3.381) 30.179 6.175 ( -1.158 0.000 -2.916) 3.138 6.503 ( 1.028 0.000 -11.191) 11.238 6.536 ( 0.532 0.000 3.483) 3.523 6.707 ( -3.726 0.000 5.676) 6.789 6.826 ( -1.391 0.000 -2.614) 2.961 6.862 ( -4.848 0.000 2.365) 5.394 6.943 ( 0.080 0.000 2.522) 2.523 7.018 ( 2.965 0.000 1.015) 3.134 7.220 ( -8.663 0.000 0.197) 8.665 7.529 ( 2.659 0.000 -7.036) 7.522 7.794 ( 3.600 0.000 1.520) 3.908 7.912 ( -2.098 0.000 -1.662) 2.677 8.164 ( 28.044 0.000 0.041) 28.044 8.181 ( -0.945 0.000 -0.369) 1.014 14.633 ( 0.176 0.000 0.572) 0.599 14.674 ( 0.675 0.000 -0.669) 0.950 14.845 ( -10.306 0.000 2.065) 10.511 15.055 ( 4.910 0.000 -1.769) 5.219 15.158 ( -1.314 0.000 3.522) 3.760 15.195 ( 1.346 0.000 0.973) 1.660 15.347 ( 0.039 0.000 -2.721) 2.722 15.528 ( 15.348 0.000 -1.868) 15.461 15.821 ( -5.657 0.000 2.854) 6.337 15.847 ( 6.937 0.000 -1.530) 7.103 16.070 ( 1.548 0.000 0.778) 1.733 16.270 ( -13.302 0.000 -2.980) 13.631 16.766 ( 0.543 0.000 0.603) 0.811 16.790 ( -1.244 0.000 0.067) 1.245 16.840 ( 3.660 0.000 0.317) 3.673 16.875 ( -0.931 0.000 -0.517) 1.065 ======================= Grid point 36 (14/52) ======================= q-point: ( 0.20 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 52 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.251 ( 5.027 0.000 10.509) 11.649 0.460 ( 9.191 0.000 11.359) 14.612 0.610 ( -0.548 0.000 3.259) 3.305 0.868 ( 12.907 0.000 10.896) 16.891 0.911 ( 3.472 0.000 -1.047) 3.627 0.999 ( 3.990 0.000 0.511) 4.022 1.085 ( 4.267 0.000 -2.274) 4.835 1.115 ( -4.153 0.000 -2.402) 4.797 1.152 ( 6.766 0.000 -6.007) 9.048 1.172 ( -2.911 0.000 4.355) 5.238 1.301 ( -0.230 0.000 3.251) 3.260 1.363 ( 1.153 0.000 -5.542) 5.661 1.389 ( -0.867 0.000 -3.860) 3.956 1.522 ( -5.366 0.000 4.262) 6.852 1.565 ( 6.758 0.000 1.148) 6.855 1.604 ( 0.348 0.000 0.285) 0.450 1.662 ( -0.689 0.000 0.064) 0.692 1.697 ( -1.426 0.000 0.716) 1.596 1.755 ( -3.113 0.000 4.349) 5.349 1.807 ( 1.499 0.000 -0.888) 1.742 1.842 ( 0.325 0.000 -1.425) 1.461 1.842 ( -2.608 0.000 0.724) 2.707 1.890 ( 4.881 0.000 -2.145) 5.331 1.976 ( -1.845 0.000 -5.443) 5.748 1.988 ( 1.359 0.000 1.087) 1.740 1.996 ( 2.396 0.000 -4.538) 5.132 2.055 ( -0.748 0.000 5.559) 5.609 2.090 ( -0.570 0.000 -5.263) 5.294 2.137 ( -2.363 0.000 0.984) 2.560 2.172 ( -12.378 0.000 -2.406) 12.610 2.182 ( 1.301 0.000 -2.279) 2.624 2.250 ( -0.463 0.000 8.131) 8.144 2.331 ( -1.225 0.000 2.389) 2.685 2.340 ( -0.696 0.000 1.802) 1.932 2.450 ( 3.091 0.000 -8.766) 9.295 2.484 ( -0.205 0.000 1.832) 1.843 2.494 ( -1.951 0.000 -3.592) 4.088 2.563 ( -1.344 0.000 -8.036) 8.148 2.590 ( 2.830 0.000 3.958) 4.865 2.650 ( -0.327 0.000 -5.051) 5.062 2.734 ( -1.206 0.000 -3.652) 3.846 2.735 ( -4.375 0.000 -5.949) 7.385 2.769 ( -0.630 0.000 5.397) 5.434 2.852 ( 3.047 0.000 -1.366) 3.339 2.862 ( -0.486 0.000 -1.649) 1.719 2.892 ( 4.143 0.000 -1.995) 4.599 3.008 ( 0.689 0.000 0.270) 0.740 3.107 ( -0.539 0.000 -0.737) 0.914 3.139 ( -3.191 0.000 6.328) 7.087 3.148 ( 2.215 0.000 -2.566) 3.390 3.207 ( 0.472 0.000 -0.241) 0.530 3.241 ( -0.841 0.000 4.459) 4.538 3.303 ( 1.716 0.000 5.466) 5.729 3.368 ( -1.709 0.000 -0.182) 1.718 3.399 ( -0.506 0.000 -1.601) 1.679 3.438 ( 2.968 0.000 -3.038) 4.247 3.440 ( 1.394 0.000 1.379) 1.961 3.494 ( 3.415 0.000 2.746) 4.382 3.570 ( 1.022 0.000 3.470) 3.617 3.606 ( -6.160 0.000 0.337) 6.170 3.946 ( 3.455 0.000 0.543) 3.498 4.000 ( 0.162 0.000 0.464) 0.492 4.014 ( 2.020 0.000 0.873) 2.200 4.102 ( -0.701 0.000 -0.058) 0.703 4.121 ( -1.621 0.000 1.045) 1.929 4.226 ( -1.803 0.000 0.840) 1.989 4.237 ( -3.235 0.000 -1.731) 3.669 4.289 ( 0.952 0.000 -1.740) 1.983 4.826 ( -0.390 0.000 1.332) 1.388 4.912 ( -1.614 0.000 -0.321) 1.646 4.964 ( 0.943 0.000 -0.796) 1.234 4.984 ( 3.268 0.000 2.045) 3.854 5.382 ( -0.372 0.000 -0.102) 0.386 5.607 ( 5.904 0.000 -1.436) 6.076 5.630 ( 5.292 0.000 -0.089) 5.293 5.792 ( 5.360 0.000 0.832) 5.424 5.801 ( -2.070 0.000 9.639) 9.859 5.990 ( 2.338 0.000 7.665) 8.014 6.122 ( -1.882 0.000 -4.082) 4.495 6.416 ( -1.665 0.000 -7.696) 7.874 6.556 ( -1.210 0.000 5.306) 5.442 6.680 ( -3.135 0.000 5.473) 6.307 6.783 ( -2.617 0.000 -2.776) 3.815 6.843 ( 2.969 0.000 0.706) 3.052 6.974 ( -1.199 0.000 4.494) 4.651 7.082 ( 3.634 0.000 -0.860) 3.734 7.119 ( -3.621 0.000 2.375) 4.330 7.452 ( -5.172 0.000 -5.128) 7.284 7.870 ( -0.837 0.000 -4.408) 4.487 7.923 ( 7.417 0.000 2.080) 7.704 8.143 ( -2.244 0.000 -2.644) 3.468 8.329 ( 1.042 0.000 -4.284) 4.408 14.632 ( -0.445 0.000 0.002) 0.445 14.679 ( 0.364 0.000 -0.640) 0.736 14.781 ( -1.094 0.000 3.270) 3.448 15.124 ( -3.673 0.000 1.667) 4.034 15.161 ( 7.562 0.000 -1.800) 7.773 15.220 ( 0.524 0.000 1.926) 1.996 15.375 ( 2.629 0.000 0.591) 2.695 15.471 ( -6.281 0.000 -5.546) 8.380 15.686 ( -8.304 0.000 -0.569) 8.323 15.972 ( -0.928 0.000 4.728) 4.818 16.123 ( 1.944 0.000 2.965) 3.545 16.214 ( 7.995 0.000 -6.929) 10.579 16.769 ( -0.940 0.000 -0.627) 1.130 16.772 ( -0.593 0.000 0.840) 1.028 16.859 ( 0.012 0.000 -0.973) 0.973 16.861 ( -0.762 0.000 1.512) 1.693 ======================= Grid point 37 (15/52) ======================= q-point: ( 0.40 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 52 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.383 ( 1.926 0.000 8.340) 8.559 0.612 ( -1.456 0.000 2.107) 2.562 0.659 ( 0.941 0.000 3.202) 3.338 0.835 ( -0.593 0.000 -1.038) 1.195 0.995 ( -0.253 0.000 -1.086) 1.115 1.040 ( 3.156 0.000 -3.802) 4.941 1.091 ( 4.429 0.000 -10.485) 11.382 1.139 ( -4.801 0.000 2.512) 5.418 1.227 ( 4.106 0.000 -9.310) 10.175 1.245 ( 0.533 0.000 0.214) 0.574 1.313 ( 6.203 0.000 -0.662) 6.238 1.414 ( 7.840 0.000 -1.578) 7.997 1.429 ( -7.477 0.000 4.849) 8.911 1.437 ( 6.068 0.000 4.093) 7.320 1.516 ( -11.777 0.000 2.348) 12.008 1.573 ( -3.709 0.000 0.264) 3.719 1.673 ( 1.624 0.000 2.342) 2.850 1.729 ( 0.240 0.000 -0.819) 0.854 1.787 ( 3.072 0.000 2.295) 3.835 1.792 ( -0.937 0.000 0.137) 0.947 1.795 ( -7.700 0.000 0.178) 7.702 1.824 ( 0.175 0.000 -0.677) 0.699 1.826 ( -1.481 0.000 3.955) 4.223 1.964 ( -2.681 0.000 1.976) 3.331 1.991 ( 2.661 0.000 -2.495) 3.648 2.046 ( 2.905 0.000 -3.830) 4.807 2.051 ( 5.026 0.000 -3.461) 6.103 2.082 ( 2.882 0.000 -4.768) 5.571 2.096 ( -1.337 0.000 1.239) 1.823 2.133 ( 1.761 0.000 0.746) 1.913 2.193 ( 0.099 0.000 1.324) 1.327 2.289 ( -1.447 0.000 4.910) 5.118 2.326 ( -1.869 0.000 0.427) 1.918 2.348 ( 3.822 0.000 -1.863) 4.252 2.389 ( -0.348 0.000 -6.340) 6.350 2.444 ( -2.839 0.000 -2.050) 3.502 2.479 ( -1.794 0.000 2.047) 2.722 2.503 ( -2.470 0.000 2.421) 3.458 2.556 ( -3.284 0.000 -1.543) 3.628 2.674 ( 1.796 0.000 -7.684) 7.891 2.687 ( -1.082 0.000 -2.385) 2.619 2.724 ( 4.849 0.000 3.124) 5.768 2.778 ( -1.335 0.000 4.574) 4.765 2.875 ( 3.774 0.000 0.677) 3.834 2.878 ( 1.776 0.000 -3.142) 3.609 2.975 ( 4.210 0.000 -0.785) 4.283 3.020 ( 0.739 0.000 -2.679) 2.779 3.055 ( -3.606 0.000 -2.870) 4.609 3.121 ( -4.346 0.000 7.952) 9.062 3.159 ( 1.191 0.000 -2.831) 3.072 3.231 ( 0.931 0.000 2.455) 2.625 3.247 ( 0.134 0.000 -1.043) 1.052 3.307 ( -2.569 0.000 -4.275) 4.988 3.342 ( -0.881 0.000 4.834) 4.914 3.406 ( 0.827 0.000 1.159) 1.424 3.466 ( 0.860 0.000 -2.750) 2.881 3.470 ( 2.523 0.000 -1.982) 3.209 3.493 ( -6.138 0.000 2.234) 6.532 3.543 ( 0.985 0.000 0.346) 1.044 3.584 ( -1.305 0.000 1.175) 1.756 3.993 ( -1.163 0.000 -1.335) 1.771 4.012 ( 3.311 0.000 -1.119) 3.496 4.064 ( 2.869 0.000 1.962) 3.476 4.107 ( -0.101 0.000 2.169) 2.172 4.134 ( 1.103 0.000 3.036) 3.230 4.164 ( -2.552 0.000 -0.778) 2.668 4.187 ( -3.269 0.000 1.412) 3.561 4.303 ( 1.365 0.000 -0.577) 1.482 4.831 ( -0.297 0.000 1.479) 1.508 4.907 ( 0.832 0.000 0.051) 0.833 4.986 ( 1.869 0.000 -0.479) 1.930 5.024 ( 0.123 0.000 0.148) 0.192 5.401 ( 1.850 0.000 0.055) 1.851 5.676 ( 2.908 0.000 -3.210) 4.331 5.681 ( 0.362 0.000 -4.054) 4.070 5.827 ( -1.795 0.000 6.552) 6.793 5.857 ( 1.270 0.000 -1.354) 1.857 6.083 ( 1.307 0.000 -2.412) 2.744 6.104 ( 3.716 0.000 10.743) 11.367 6.393 ( 1.566 0.000 -0.133) 1.572 6.575 ( -1.067 0.000 7.422) 7.499 6.680 ( -1.273 0.000 7.257) 7.368 6.745 ( -0.008 0.000 1.096) 1.096 6.924 ( -5.978 0.000 3.744) 7.054 6.929 ( 5.045 0.000 -0.452) 5.065 7.133 ( 4.387 0.000 -3.804) 5.806 7.135 ( 1.624 0.000 3.443) 3.807 7.309 ( -6.832 0.000 -4.090) 7.963 7.819 ( -0.452 0.000 -7.528) 7.542 8.031 ( 0.458 0.000 -1.692) 1.753 8.085 ( 1.416 0.000 -2.372) 2.762 8.280 ( -2.845 0.000 -3.496) 4.508 14.623 ( -0.224 0.000 -0.608) 0.648 14.677 ( 0.066 0.000 -1.090) 1.092 14.805 ( 0.787 0.000 3.537) 3.623 15.067 ( -2.740 0.000 -0.605) 2.806 15.232 ( -0.802 0.000 1.917) 2.078 15.243 ( 1.846 0.000 -6.115) 6.388 15.350 ( -3.013 0.000 -5.496) 6.268 15.436 ( 4.457 0.000 3.031) 5.390 15.576 ( -3.993 0.000 2.571) 4.749 15.946 ( -3.185 0.000 1.906) 3.711 16.161 ( -0.284 0.000 3.541) 3.552 16.324 ( 7.488 0.000 -4.156) 8.564 16.750 ( -0.522 0.000 -0.893) 1.035 16.758 ( -0.977 0.000 -0.014) 0.977 16.853 ( -1.370 0.000 2.272) 2.653 16.866 ( 0.967 0.000 0.092) 0.971 ======================= Grid point 38 (16/52) ======================= q-point: (-0.40 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 52 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.408 ( -5.887 0.000 8.793) 10.582 0.474 ( -13.644 0.000 -4.044) 14.230 0.602 ( 0.005 0.000 0.805) 0.805 0.915 ( -7.748 0.000 2.113) 8.031 0.973 ( 3.898 0.000 3.183) 5.032 1.003 ( -9.624 0.000 0.457) 9.635 1.070 ( -4.517 0.000 -5.723) 7.291 1.091 ( 4.046 0.000 -2.637) 4.830 1.155 ( -5.366 0.000 -4.764) 7.176 1.188 ( 1.248 0.000 -12.641) 12.702 1.299 ( -1.181 0.000 -6.008) 6.123 1.368 ( -1.878 0.000 3.609) 4.068 1.397 ( 4.706 0.000 -1.550) 4.955 1.476 ( -5.265 0.000 6.725) 8.541 1.548 ( -2.762 0.000 4.648) 5.407 1.584 ( 7.064 0.000 1.184) 7.162 1.649 ( -0.775 0.000 -5.605) 5.658 1.696 ( -0.320 0.000 4.444) 4.456 1.784 ( -5.354 0.000 4.103) 6.745 1.788 ( -0.158 0.000 -1.631) 1.638 1.848 ( 2.577 0.000 -0.487) 2.623 1.849 ( 3.594 0.000 0.787) 3.679 1.907 ( 6.640 0.000 0.929) 6.705 1.949 ( -0.676 0.000 1.487) 1.633 1.986 ( -0.424 0.000 -3.878) 3.901 2.050 ( -2.951 0.000 -0.235) 2.960 2.066 ( -1.031 0.000 0.406) 1.108 2.076 ( 4.169 0.000 -3.542) 5.471 2.181 ( 6.543 0.000 2.252) 6.920 2.184 ( 1.686 0.000 0.960) 1.940 2.202 ( 1.838 0.000 0.952) 2.070 2.263 ( -0.897 0.000 -6.089) 6.155 2.291 ( 0.179 0.000 0.876) 0.894 2.363 ( -3.418 0.000 1.461) 3.717 2.409 ( 2.208 0.000 -3.076) 3.787 2.419 ( 2.216 0.000 -0.972) 2.420 2.453 ( -4.445 0.000 6.150) 7.588 2.514 ( 3.443 0.000 2.041) 4.003 2.526 ( 1.151 0.000 0.529) 1.267 2.664 ( 2.290 0.000 -7.395) 7.742 2.701 ( 4.210 0.000 -4.436) 6.116 2.775 ( 0.081 0.000 2.980) 2.981 2.820 ( 1.602 0.000 1.789) 2.402 2.876 ( 0.500 0.000 -2.366) 2.418 2.942 ( -1.990 0.000 -2.529) 3.218 2.990 ( 3.072 0.000 1.308) 3.339 2.995 ( -1.142 0.000 -3.439) 3.624 3.027 ( 1.977 0.000 0.423) 2.022 3.098 ( -1.843 0.000 1.379) 2.302 3.155 ( 0.551 0.000 -3.203) 3.250 3.191 ( -4.271 0.000 2.268) 4.836 3.253 ( -0.523 0.000 2.124) 2.187 3.297 ( 1.803 0.000 -0.437) 1.855 3.349 ( -2.286 0.000 5.230) 5.708 3.386 ( -3.585 0.000 -2.493) 4.366 3.415 ( -0.015 0.000 -0.797) 0.797 3.463 ( -2.086 0.000 1.424) 2.525 3.492 ( 0.287 0.000 -0.611) 0.675 3.545 ( -2.495 0.000 -0.883) 2.646 3.552 ( 1.081 0.000 -1.822) 2.119 3.954 ( -2.059 0.000 -0.832) 2.221 4.016 ( -2.963 0.000 -0.949) 3.111 4.081 ( -0.506 0.000 0.967) 1.091 4.125 ( -1.561 0.000 1.663) 2.281 4.139 ( -0.059 0.000 3.497) 3.498 4.170 ( 0.880 0.000 1.113) 1.419 4.205 ( 4.347 0.000 0.755) 4.412 4.322 ( 0.726 0.000 0.031) 0.727 4.833 ( -0.451 0.000 1.491) 1.558 4.936 ( 1.945 0.000 0.240) 1.960 4.989 ( -3.280 0.000 -1.435) 3.580 5.020 ( 1.814 0.000 0.674) 1.935 5.437 ( 1.676 0.000 1.541) 2.277 5.611 ( -2.865 0.000 -5.627) 6.314 5.652 ( -4.617 0.000 0.635) 4.660 5.807 ( -4.094 0.000 -3.720) 5.532 5.836 ( 0.180 0.000 2.175) 2.182 6.142 ( 4.427 0.000 0.110) 4.428 6.270 ( 6.725 0.000 11.550) 13.365 6.435 ( 3.756 0.000 -2.118) 4.312 6.614 ( -0.466 0.000 7.527) 7.541 6.746 ( 1.657 0.000 14.773) 14.866 6.805 ( 2.881 0.000 6.808) 7.393 6.849 ( -4.086 0.000 1.289) 4.285 6.955 ( -2.048 0.000 -0.398) 2.087 7.144 ( -5.676 0.000 -2.874) 6.362 7.182 ( -0.727 0.000 8.103) 8.136 7.255 ( 10.010 0.000 -6.443) 11.904 7.752 ( 0.417 0.000 -14.240) 14.246 7.935 ( -4.545 0.000 -6.448) 7.889 8.148 ( 2.876 0.000 0.725) 2.966 8.179 ( -5.527 0.000 -5.622) 7.884 14.619 ( 0.175 0.000 -0.437) 0.471 14.670 ( 0.175 0.000 -1.385) 1.396 14.858 ( 2.150 0.000 6.216) 6.577 15.025 ( -0.687 0.000 -2.667) 2.754 15.182 ( -2.575 0.000 -3.285) 4.175 15.217 ( -1.639 0.000 1.322) 2.105 15.270 ( -2.456 0.000 -7.518) 7.909 15.479 ( -1.288 0.000 -4.413) 4.597 15.633 ( 5.564 0.000 9.971) 11.418 15.899 ( -2.242 0.000 -0.781) 2.374 16.154 ( -2.835 0.000 2.392) 3.709 16.420 ( 5.345 0.000 -1.348) 5.512 16.741 ( 0.160 0.000 -0.729) 0.747 16.746 ( -0.036 0.000 -0.332) 0.333 16.842 ( -1.611 0.000 1.950) 2.529 16.884 ( 0.504 0.000 0.737) 0.893 ======================= Grid point 39 (17/52) ======================= q-point: (-0.20 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 52 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.244 ( -9.247 0.000 8.750) 12.731 0.295 ( -11.800 0.000 6.885) 13.661 0.610 ( -24.356 0.000 11.676) 27.011 0.619 ( -0.083 0.000 1.706) 1.708 0.874 ( -5.189 0.000 6.276) 8.143 0.963 ( -0.900 0.000 0.748) 1.170 1.003 ( -2.466 0.000 -6.652) 7.094 1.096 ( -0.376 0.000 -4.972) 4.986 1.152 ( 3.824 0.000 2.501) 4.569 1.195 ( 7.097 0.000 -8.728) 11.249 1.299 ( 2.902 0.000 -8.356) 8.845 1.371 ( 0.473 0.000 -0.673) 0.823 1.427 ( -0.813 0.000 1.587) 1.783 1.479 ( -5.239 0.000 3.609) 6.361 1.510 ( 4.017 0.000 4.249) 5.847 1.644 ( -2.376 0.000 1.143) 2.636 1.645 ( 0.551 0.000 2.795) 2.849 1.715 ( -2.168 0.000 2.110) 3.025 1.745 ( -0.669 0.000 -5.542) 5.582 1.766 ( 2.919 0.000 0.574) 2.974 1.868 ( 1.099 0.000 -1.235) 1.653 1.902 ( 0.804 0.000 -0.683) 1.055 1.917 ( -0.266 0.000 -3.885) 3.894 1.945 ( -0.290 0.000 1.430) 1.459 1.960 ( -2.753 0.000 1.873) 3.330 2.004 ( -2.921 0.000 4.043) 4.988 2.111 ( 4.463 0.000 0.769) 4.529 2.125 ( 1.696 0.000 -5.394) 5.654 2.163 ( -3.713 0.000 2.244) 4.338 2.215 ( 1.765 0.000 -1.354) 2.224 2.235 ( 5.694 0.000 -5.234) 7.734 2.289 ( -3.261 0.000 0.124) 3.263 2.340 ( 2.872 0.000 0.264) 2.884 2.385 ( -3.702 0.000 5.054) 6.265 2.385 ( 5.006 0.000 2.870) 5.770 2.399 ( -1.370 0.000 1.257) 1.860 2.466 ( 3.218 0.000 -1.778) 3.677 2.594 ( 3.866 0.000 0.430) 3.890 2.623 ( 9.470 0.000 -7.079) 11.824 2.649 ( 0.063 0.000 -1.924) 1.925 2.704 ( 0.462 0.000 -8.890) 8.902 2.746 ( -5.057 0.000 0.426) 5.075 2.822 ( -1.593 0.000 -2.669) 3.108 2.876 ( -1.615 0.000 -4.216) 4.515 2.901 ( 1.032 0.000 1.804) 2.078 2.979 ( 3.048 0.000 2.666) 4.050 3.030 ( -0.063 0.000 -3.846) 3.847 3.071 ( 1.950 0.000 1.502) 2.461 3.108 ( 1.489 0.000 5.221) 5.429 3.138 ( 0.335 0.000 -4.243) 4.256 3.171 ( -3.072 0.000 9.238) 9.735 3.228 ( -3.067 0.000 -2.409) 3.900 3.270 ( -4.417 0.000 -0.308) 4.428 3.339 ( 2.766 0.000 1.121) 2.985 3.387 ( 0.122 0.000 2.981) 2.983 3.403 ( -0.182 0.000 -1.153) 1.167 3.432 ( -2.247 0.000 0.892) 2.417 3.459 ( -2.427 0.000 -1.121) 2.673 3.515 ( -0.736 0.000 0.149) 0.751 3.577 ( 2.912 0.000 1.944) 3.501 3.924 ( -0.442 0.000 0.193) 0.482 3.943 ( -3.959 0.000 0.736) 4.026 4.065 ( -4.352 0.000 2.148) 4.854 4.101 ( 1.751 0.000 -0.723) 1.894 4.177 ( -0.524 0.000 0.200) 0.561 4.191 ( 1.569 0.000 2.451) 2.910 4.274 ( 2.745 0.000 -0.351) 2.767 4.320 ( -0.777 0.000 -0.818) 1.128 4.839 ( 0.076 0.000 1.579) 1.581 4.911 ( -3.528 0.000 -0.965) 3.657 4.960 ( 0.647 0.000 -0.781) 1.014 5.059 ( 1.956 0.000 0.027) 1.956 5.479 ( 0.892 0.000 0.914) 1.277 5.546 ( -0.535 0.000 -3.615) 3.655 5.553 ( -6.479 0.000 4.785) 8.054 5.713 ( -2.750 0.000 -2.670) 3.833 5.864 ( 1.226 0.000 2.248) 2.561 6.191 ( 0.981 0.000 -0.732) 1.224 6.454 ( 6.141 0.000 2.817) 6.756 6.497 ( 5.876 0.000 -7.407) 9.455 6.616 ( -5.384 0.000 -4.509) 7.022 6.770 ( -5.920 0.000 -1.723) 6.166 6.887 ( -1.150 0.000 -0.511) 1.258 6.894 ( -2.607 0.000 7.263) 7.716 6.943 ( 3.240 0.000 8.916) 9.487 7.020 ( -3.982 0.000 -3.796) 5.502 7.322 ( 12.479 0.000 23.547) 26.649 7.425 ( 11.620 0.000 -5.496) 12.854 7.588 ( -5.699 0.000 -13.754) 14.888 7.819 ( -3.783 0.000 -4.191) 5.646 8.012 ( -8.248 0.000 -2.496) 8.618 8.183 ( 0.653 0.000 0.563) 0.862 14.623 ( 0.422 0.000 0.200) 0.467 14.668 ( 0.543 0.000 -1.145) 1.267 15.013 ( 1.751 0.000 -3.117) 3.575 15.015 ( 10.214 0.000 11.152) 15.122 15.110 ( -8.438 0.000 -8.699) 12.119 15.148 ( -0.500 0.000 1.257) 1.353 15.217 ( 0.118 0.000 4.902) 4.904 15.405 ( -3.284 0.000 -3.396) 4.724 15.792 ( 4.199 0.000 7.506) 8.600 15.859 ( -1.111 0.000 -2.832) 3.043 16.097 ( -3.808 0.000 -0.048) 3.808 16.476 ( 0.981 0.000 -6.453) 6.527 16.752 ( 0.667 0.000 -0.024) 0.667 16.753 ( 1.747 0.000 2.043) 2.688 16.818 ( -2.114 0.000 0.910) 2.302 16.889 ( -0.454 0.000 0.390) 0.598 ======================= Grid point 40 (18/52) ======================= q-point: ( 0.00 0.14 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.390 ( -1.825 9.149 10.538) 14.074 0.451 ( 5.022 7.500 14.027) 16.681 0.613 ( -1.809 19.577 3.107) 19.904 0.814 ( -3.025 13.410 4.148) 14.359 0.965 ( 1.318 2.658 0.474) 3.004 1.006 ( 0.561 5.563 -4.593) 7.236 1.049 ( 1.547 7.090 6.430) 9.696 1.163 ( 4.433 3.612 -1.740) 5.977 1.201 ( -2.719 -0.201 -2.261) 3.541 1.238 ( 1.044 5.766 -1.680) 6.096 1.304 ( 0.315 -0.050 -4.560) 4.571 1.411 ( -0.597 1.212 -1.076) 1.727 1.452 ( 0.619 -0.001 1.584) 1.701 1.462 ( 3.631 4.254 -7.180) 9.101 1.548 ( -0.334 -0.096 0.701) 0.782 1.601 ( -4.731 -1.183 3.002) 5.726 1.636 ( 0.521 0.633 -0.674) 1.061 1.724 ( 3.711 -0.848 -0.755) 3.881 1.740 ( 0.243 -1.349 -0.785) 1.580 1.818 ( -1.509 1.449 0.216) 2.103 1.836 ( -2.703 -0.655 -0.715) 2.872 1.878 ( -4.536 -0.130 6.339) 7.796 1.882 ( 1.976 -0.401 -1.517) 2.524 1.920 ( 0.313 -0.768 2.980) 3.093 1.963 ( 3.133 0.910 -1.958) 3.805 2.021 ( 1.437 -0.118 3.339) 3.637 2.071 ( -1.983 -0.677 -4.379) 4.855 2.103 ( -1.244 -4.199 -3.844) 5.827 2.126 ( -0.713 -1.790 2.257) 2.967 2.190 ( -0.536 0.446 -1.585) 1.731 2.279 ( -0.240 -1.572 1.274) 2.037 2.284 ( -0.427 -0.479 1.818) 1.928 2.328 ( 1.160 -0.717 0.267) 1.390 2.359 ( 3.472 0.632 -1.238) 3.740 2.420 ( -0.729 -0.768 0.998) 1.455 2.445 ( -1.152 -0.795 -1.075) 1.765 2.517 ( 4.028 -0.143 0.142) 4.033 2.544 ( 0.907 -3.746 -4.904) 6.238 2.610 ( -1.409 -1.066 -3.348) 3.785 2.626 ( 0.041 -5.362 4.199) 6.810 2.691 ( -2.124 3.346 -7.108) 8.138 2.785 ( 5.179 0.645 -1.411) 5.407 2.803 ( -3.914 -0.804 -5.353) 6.679 2.827 ( 4.369 1.915 -3.879) 6.148 2.860 ( -2.471 -1.012 -4.921) 5.599 2.964 ( -4.538 -1.318 -0.526) 4.755 3.002 ( 0.440 -3.647 1.726) 4.059 3.068 ( -2.003 -1.931 -3.667) 4.603 3.096 ( 1.094 -1.979 4.214) 4.783 3.123 ( 2.460 -1.480 2.616) 3.884 3.191 ( 3.103 -3.114 1.209) 4.559 3.234 ( -1.641 -0.135 -3.808) 4.148 3.245 ( 0.503 2.768 7.351) 7.871 3.286 ( 1.170 -2.547 2.568) 3.801 3.382 ( -0.075 -3.324 1.728) 3.747 3.412 ( -0.468 1.417 4.454) 4.697 3.448 ( -1.840 1.936 -1.347) 2.991 3.466 ( 0.739 3.216 2.611) 4.208 3.561 ( 1.036 3.392 2.009) 4.077 3.631 ( -0.269 -1.289 2.378) 2.719 3.916 ( 0.575 -0.768 0.402) 1.040 3.972 ( -2.759 -2.216 1.097) 3.705 3.990 ( 2.508 0.717 0.224) 2.618 4.102 ( -0.494 -1.349 -1.545) 2.110 4.146 ( -1.235 -0.817 0.435) 1.544 4.214 ( 0.068 -0.943 1.073) 1.430 4.273 ( 0.206 -2.315 -1.238) 2.633 4.281 ( -1.074 -0.811 -1.548) 2.051 4.810 ( -0.846 -2.157 0.393) 2.350 4.844 ( 0.486 -3.321 1.758) 3.789 4.950 ( -1.062 -2.858 -0.171) 3.054 4.985 ( -2.159 -1.544 -0.311) 2.673 5.434 ( -4.391 0.756 -0.320) 4.467 5.498 ( 3.562 -1.542 1.747) 4.256 5.559 ( 0.864 -1.829 0.091) 2.025 5.653 ( -0.944 -4.098 0.215) 4.210 5.815 ( -4.529 -1.315 8.967) 10.132 5.946 ( 0.867 1.941 5.093) 5.518 6.338 ( 1.272 -6.440 -1.300) 6.692 6.455 ( 1.345 -1.381 -2.571) 3.213 6.522 ( -5.207 -2.934 -2.922) 6.653 6.683 ( -0.547 -4.528 -3.230) 5.589 6.793 ( -7.605 2.916 -1.375) 8.260 6.899 ( -2.414 2.956 -1.501) 4.101 6.976 ( -5.440 9.094 -2.716) 10.939 7.153 ( 2.263 10.692 2.631) 11.241 7.394 ( -5.094 9.462 -4.777) 11.760 7.557 ( 0.811 4.489 -5.266) 6.967 7.719 ( 5.147 -6.849 1.998) 8.797 7.861 ( -3.262 -5.024 -0.703) 6.031 8.065 ( 18.145 -3.561 8.763) 20.462 8.192 ( -0.187 -0.831 -0.301) 0.903 14.647 ( 0.223 1.404 0.893) 1.679 14.752 ( 1.236 2.965 -1.470) 3.532 14.882 ( -3.962 2.591 -2.820) 5.510 15.104 ( 0.528 3.418 -1.367) 3.719 15.143 ( -0.536 -1.287 3.964) 4.202 15.195 ( 1.058 -0.030 0.770) 1.309 15.310 ( -0.752 -2.230 -1.918) 3.036 15.538 ( 11.081 0.836 -4.945) 12.163 15.726 ( -2.278 -6.052 -1.284) 6.593 15.874 ( -3.964 -0.727 -4.009) 5.684 16.039 ( -0.405 -0.138 5.563) 5.580 16.255 ( -2.601 -0.780 2.666) 3.806 16.746 ( 0.195 -1.667 1.680) 2.375 16.783 ( -0.045 -0.156 -0.118) 0.200 16.825 ( 1.995 0.190 1.673) 2.610 16.865 ( -0.964 -1.009 -0.344) 1.437 ======================= Grid point 41 (19/52) ======================= q-point: ( 0.20 0.14 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.479 ( 3.886 5.376 8.119) 10.484 0.563 ( 4.092 15.972 5.631) 17.423 0.721 ( 0.772 9.626 3.865) 10.401 0.885 ( 7.568 2.900 7.565) 11.087 0.961 ( 0.965 3.473 -5.685) 6.732 1.038 ( 3.493 0.041 -0.084) 3.495 1.093 ( -0.443 2.906 -1.002) 3.106 1.157 ( 0.701 5.078 0.188) 5.130 1.229 ( 1.353 3.216 2.720) 4.424 1.243 ( 2.516 7.444 -2.981) 8.404 1.282 ( 1.551 -0.623 -2.256) 2.807 1.369 ( -0.555 1.141 -5.025) 5.183 1.440 ( 0.961 3.432 0.024) 3.564 1.507 ( 1.003 -2.472 -1.221) 2.934 1.525 ( -5.853 -1.117 1.210) 6.080 1.572 ( 1.505 -0.471 2.405) 2.876 1.643 ( -3.081 -0.539 -0.496) 3.167 1.693 ( -0.075 -0.201 0.752) 0.782 1.758 ( -2.039 -0.318 2.510) 3.249 1.814 ( 2.972 0.193 0.853) 3.098 1.837 ( -0.638 0.737 0.761) 1.237 1.852 ( 0.725 -0.102 -0.604) 0.949 1.913 ( 4.034 0.304 -1.991) 4.509 1.953 ( -0.016 -0.635 2.113) 2.207 1.998 ( 1.164 -0.481 -5.249) 5.398 2.024 ( 0.398 2.797 -1.839) 3.371 2.067 ( 1.257 0.798 2.836) 3.203 2.084 ( 0.409 -0.152 -1.346) 1.415 2.144 ( 0.755 -0.690 0.637) 1.205 2.169 ( -0.961 -0.112 -0.193) 0.987 2.223 ( -8.250 3.942 -1.121) 9.212 2.263 ( -2.475 1.403 4.791) 5.572 2.321 ( -1.507 -1.186 -1.695) 2.560 2.351 ( 0.631 0.511 3.639) 3.728 2.419 ( 0.647 -1.860 -3.841) 4.317 2.456 ( -1.434 -1.949 -1.143) 2.676 2.497 ( 1.156 -1.233 -1.227) 2.089 2.569 ( 0.385 -2.193 -0.304) 2.247 2.588 ( -1.735 1.174 -7.244) 7.541 2.628 ( 1.558 -5.333 2.047) 5.921 2.654 ( -0.119 -0.666 -0.109) 0.685 2.696 ( -2.446 -2.720 -6.028) 7.051 2.767 ( -3.843 0.190 -3.716) 5.349 2.822 ( 0.548 -1.838 1.074) 2.198 2.862 ( 1.405 -1.513 -2.396) 3.163 2.941 ( 2.778 0.423 -2.796) 3.964 3.011 ( -0.469 0.267 -1.485) 1.580 3.052 ( 1.545 -2.872 -2.190) 3.928 3.112 ( -1.401 -1.751 3.467) 4.129 3.138 ( 0.464 -2.416 -0.396) 2.492 3.203 ( 0.387 -0.457 -1.853) 1.948 3.281 ( -1.323 3.398 5.573) 6.660 3.295 ( 3.443 -2.470 4.275) 6.019 3.327 ( 0.768 -1.871 4.085) 4.558 3.377 ( -0.586 -1.368 -2.865) 3.228 3.410 ( -0.260 -0.150 -1.544) 1.573 3.446 ( 1.541 -2.296 1.038) 2.954 3.514 ( 1.235 1.145 2.542) 3.049 3.575 ( -2.071 2.318 3.105) 4.393 3.605 ( -2.358 -0.155 1.537) 2.819 3.945 ( 1.440 -0.312 0.549) 1.573 3.960 ( 1.230 -2.877 1.545) 3.489 4.021 ( 0.277 -0.067 -0.986) 1.026 4.080 ( 0.600 -1.435 1.581) 2.218 4.135 ( -0.738 0.818 0.822) 1.374 4.192 ( -2.668 -2.165 -0.355) 3.454 4.234 ( -2.834 -0.847 -0.868) 3.082 4.285 ( 1.457 -0.614 -1.297) 2.045 4.803 ( -0.327 -2.135 0.524) 2.222 4.847 ( -1.483 -4.266 1.507) 4.761 4.941 ( 1.334 -1.355 -0.609) 1.996 5.005 ( 3.462 -0.961 0.026) 3.593 5.391 ( -0.166 0.984 -0.483) 1.109 5.586 ( 4.581 -0.833 -0.482) 4.681 5.619 ( 4.933 -2.545 -0.195) 5.555 5.703 ( 5.707 -5.968 1.610) 8.413 5.838 ( -1.003 2.083 8.212) 8.531 5.990 ( -1.253 -2.570 4.868) 5.645 6.288 ( -4.976 10.980 -5.856) 13.402 6.394 ( 1.548 1.351 -0.534) 2.123 6.536 ( 1.821 -11.661 1.510) 11.898 6.599 ( -3.671 2.468 -4.571) 6.361 6.683 ( -3.691 -3.555 2.693) 5.789 6.883 ( -4.376 5.163 3.192) 7.483 6.956 ( 4.606 -1.740 1.951) 5.297 7.199 ( 2.109 7.888 -1.375) 8.280 7.295 ( -4.268 11.440 -0.186) 12.211 7.468 ( -5.751 2.885 -2.910) 7.061 7.776 ( -1.887 -7.376 -2.214) 7.929 7.897 ( 8.186 -2.798 0.650) 8.675 8.151 ( -2.516 -0.224 -2.184) 3.340 8.291 ( 4.537 -3.049 -0.458) 5.486 14.649 ( -0.578 1.602 0.401) 1.750 14.752 ( -0.080 4.274 -3.169) 5.321 14.806 ( -2.731 3.336 3.398) 5.489 15.089 ( -3.039 -2.799 0.877) 4.224 15.175 ( 4.785 1.606 -1.517) 5.270 15.225 ( 1.417 0.130 1.901) 2.375 15.356 ( 3.332 -1.479 3.076) 4.770 15.479 ( -5.742 0.192 -7.740) 9.639 15.634 ( -7.366 -3.783 -1.845) 8.484 15.911 ( 6.966 -10.207 -1.068) 12.404 16.050 ( -3.504 2.728 6.895) 8.201 16.300 ( 5.515 3.199 -2.776) 6.954 16.746 ( -1.117 -1.349 1.265) 2.160 16.773 ( -0.609 0.052 -0.545) 0.819 16.851 ( 0.082 -0.781 -0.878) 1.178 16.867 ( 0.831 0.262 1.554) 1.782 ======================= Grid point 42 (20/52) ======================= q-point: ( 0.40 0.14 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.578 ( 1.538 9.170 3.196) 9.832 0.665 ( 0.189 5.980 2.728) 6.576 0.731 ( -1.737 10.239 2.590) 10.704 0.868 ( 0.678 2.786 -0.781) 2.972 1.012 ( -1.931 0.754 1.836) 2.769 1.059 ( 2.053 1.308 -5.843) 6.330 1.100 ( 4.951 -0.178 -6.610) 8.260 1.180 ( -1.824 4.019 0.236) 4.420 1.228 ( -1.337 0.350 -4.820) 5.014 1.307 ( 0.077 4.326 -1.920) 4.733 1.353 ( 3.923 3.213 -4.743) 6.943 1.381 ( 6.226 0.490 2.374) 6.681 1.409 ( -1.625 -1.153 4.995) 5.378 1.498 ( -0.011 1.851 1.574) 2.430 1.514 ( 1.921 -0.166 1.929) 2.727 1.560 ( -3.905 -0.445 2.016) 4.417 1.599 ( 0.569 -1.456 2.467) 2.921 1.707 ( -0.715 -0.737 0.380) 1.094 1.783 ( -4.464 -0.337 0.719) 4.534 1.787 ( -2.500 1.128 1.424) 3.091 1.823 ( -0.392 2.164 -0.016) 2.200 1.873 ( 1.027 2.928 0.735) 3.189 1.929 ( 0.072 5.327 1.560) 5.552 1.974 ( -0.710 0.070 0.299) 0.774 1.984 ( 2.538 0.377 -1.566) 3.006 2.023 ( 2.251 -0.754 -2.242) 3.266 2.080 ( -0.171 -0.068 -0.133) 0.227 2.093 ( 0.296 2.737 -5.133) 5.825 2.106 ( -1.229 1.801 0.861) 2.344 2.165 ( 2.329 2.009 -2.939) 4.254 2.173 ( -0.339 -1.818 2.360) 2.998 2.280 ( -0.308 -0.691 1.749) 1.905 2.301 ( 2.297 -0.906 -2.526) 3.532 2.375 ( -2.102 -1.734 -1.475) 3.099 2.388 ( -1.535 0.345 4.867) 5.115 2.432 ( 0.995 2.466 -0.878) 2.800 2.471 ( -2.181 -2.911 -2.407) 4.362 2.510 ( -2.897 -0.107 -1.315) 3.183 2.568 ( -0.735 1.830 0.178) 1.980 2.636 ( 1.813 -2.315 -9.142) 9.603 2.642 ( -1.717 -8.062 4.416) 9.351 2.682 ( 1.940 -1.644 -3.815) 4.585 2.738 ( 1.829 0.104 5.425) 5.726 2.838 ( 0.945 -3.709 -0.152) 3.830 2.893 ( 3.706 -2.415 -3.049) 5.373 2.962 ( 1.476 -1.390 -3.552) 4.090 3.012 ( 0.121 -0.707 -0.260) 0.764 3.029 ( -0.228 -2.027 -3.420) 3.982 3.085 ( -2.080 -2.706 1.761) 3.840 3.167 ( 0.566 -0.094 1.235) 1.362 3.206 ( 0.437 -0.404 -0.750) 0.958 3.283 ( -1.338 1.651 2.967) 3.649 3.298 ( -3.613 0.008 -4.143) 5.497 3.347 ( -0.590 -0.264 2.748) 2.823 3.378 ( 1.972 -2.277 1.447) 3.342 3.426 ( 0.759 -2.342 1.914) 3.118 3.440 ( -0.536 -2.491 -3.778) 4.557 3.509 ( -1.922 0.929 1.412) 2.559 3.564 ( -1.072 0.756 1.605) 2.073 3.604 ( -0.273 2.297 2.598) 3.479 3.959 ( -0.031 -2.496 -0.401) 2.528 4.005 ( 1.951 -1.594 -0.267) 2.534 4.034 ( 2.459 -1.216 1.307) 3.039 4.118 ( -3.725 -1.152 1.808) 4.298 4.134 ( 0.529 -0.355 3.194) 3.257 4.143 ( 1.628 -0.453 -0.710) 1.833 4.174 ( -3.253 -1.049 0.276) 3.429 4.303 ( 1.206 -0.129 -0.681) 1.391 4.805 ( 0.134 -2.815 0.655) 2.894 4.835 ( -0.732 -3.989 1.484) 4.319 4.971 ( 1.901 -1.501 -0.067) 2.424 5.057 ( 1.623 -0.185 -0.984) 1.907 5.406 ( 1.590 0.757 -0.381) 1.801 5.643 ( 2.727 -2.092 -0.886) 3.550 5.671 ( 0.263 -1.655 -2.432) 2.954 5.823 ( -0.489 0.501 4.480) 4.535 5.852 ( 2.603 -3.383 1.454) 4.509 5.975 ( -2.243 -7.823 6.182) 10.220 6.172 ( -1.859 7.904 -7.976) 11.381 6.447 ( 0.398 -0.267 -2.273) 2.323 6.540 ( 0.556 -3.043 5.521) 6.329 6.608 ( 3.284 -4.730 5.148) 7.724 6.685 ( -0.116 -1.935 7.961) 8.194 6.841 ( -2.652 3.203 4.259) 5.953 7.074 ( 6.723 -0.418 2.032) 7.036 7.196 ( -1.424 5.501 -3.035) 6.442 7.250 ( 0.186 11.308 -0.319) 11.314 7.344 ( -5.844 4.185 -1.638) 7.372 7.714 ( -1.576 -7.784 -5.963) 9.931 8.037 ( 6.182 -2.532 1.106) 6.771 8.065 ( -4.118 -0.000 -5.155) 6.598 8.298 ( -1.345 0.457 -3.798) 4.055 14.637 ( -0.560 1.411 -0.235) 1.536 14.723 ( -0.425 3.780 -2.378) 4.486 14.819 ( 0.111 1.594 4.554) 4.826 15.043 ( -1.967 -2.280 -0.613) 3.073 15.219 ( 0.822 -0.205 -3.114) 3.227 15.257 ( 0.159 0.348 -0.961) 1.035 15.344 ( -3.440 -0.724 -6.110) 7.049 15.441 ( 4.214 0.760 2.896) 5.169 15.545 ( -1.585 -2.653 3.462) 4.641 15.976 ( -1.882 -0.154 0.964) 2.120 16.038 ( 0.542 -6.192 3.645) 7.205 16.371 ( 4.185 1.965 -3.011) 5.517 16.730 ( -1.098 -1.107 0.512) 1.641 16.759 ( -0.279 0.199 -0.803) 0.873 16.856 ( 0.632 -0.559 -0.042) 0.845 16.876 ( -0.622 0.826 1.149) 1.546 ======================= Grid point 43 (21/52) ======================= q-point: (-0.40 0.14 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.505 ( -10.759 3.958 -3.636) 12.027 0.569 ( -6.131 11.082 2.383) 12.887 0.760 ( 2.362 13.183 3.713) 13.899 0.924 ( -8.975 0.926 4.106) 9.913 0.977 ( 4.539 0.361 2.866) 5.380 1.071 ( -2.114 2.241 -4.907) 5.794 1.095 ( -2.486 5.050 -2.241) 6.058 1.114 ( 2.033 2.559 -4.207) 5.327 1.216 ( 3.817 1.548 -3.745) 5.567 1.261 ( -1.200 7.517 -6.060) 9.730 1.299 ( -4.172 2.561 -3.813) 6.205 1.380 ( 0.960 2.970 -0.047) 3.122 1.455 ( -2.941 0.553 4.248) 5.196 1.491 ( -3.291 4.637 -2.347) 6.151 1.536 ( -1.307 -0.808 3.065) 3.428 1.599 ( 2.679 0.001 3.009) 4.029 1.637 ( 2.975 0.237 1.654) 3.412 1.689 ( 1.277 -0.998 0.347) 1.657 1.724 ( -1.158 -2.226 6.035) 6.535 1.778 ( -0.855 -0.322 -2.893) 3.034 1.832 ( -2.331 1.081 1.348) 2.902 1.892 ( 2.572 -0.533 0.735) 2.727 1.953 ( 0.496 1.678 -2.286) 2.879 1.968 ( -1.999 0.647 -3.334) 3.940 1.986 ( -0.897 2.874 1.163) 3.227 2.056 ( -0.598 -0.959 1.121) 1.592 2.072 ( 2.194 1.034 -0.391) 2.456 2.094 ( 4.057 0.964 0.080) 4.171 2.121 ( 1.186 -1.183 -0.650) 1.797 2.159 ( -0.175 -1.471 1.128) 1.861 2.205 ( 2.995 -1.168 -0.849) 3.325 2.279 ( -0.388 0.835 -6.354) 6.420 2.321 ( 3.721 0.573 -2.599) 4.575 2.335 ( -4.000 -1.118 5.999) 7.297 2.398 ( -0.111 -0.853 3.582) 3.684 2.432 ( -3.491 -3.314 1.989) 5.208 2.445 ( 1.956 1.233 -4.365) 4.940 2.494 ( 2.407 -0.799 -0.590) 2.604 2.541 ( -0.388 -0.086 -0.930) 1.011 2.633 ( 1.892 -2.665 -3.706) 4.941 2.679 ( 1.891 -4.211 4.913) 6.741 2.714 ( 5.184 0.062 -5.536) 7.585 2.803 ( 1.881 -1.136 0.539) 2.263 2.847 ( 0.349 -3.005 0.494) 3.065 2.927 ( 0.934 -4.048 -3.193) 5.240 2.961 ( 0.050 -0.225 -2.866) 2.876 2.994 ( 1.974 -3.285 -1.815) 4.241 3.022 ( -0.506 -0.943 0.206) 1.090 3.088 ( 0.977 -0.141 1.258) 1.599 3.150 ( -0.474 -1.999 -6.100) 6.437 3.193 ( -2.143 -0.003 2.184) 3.060 3.233 ( -0.849 -0.592 1.317) 1.676 3.273 ( -1.154 -0.556 -1.032) 1.645 3.348 ( -1.850 -0.098 4.525) 4.890 3.375 ( -1.841 -0.748 -1.215) 2.330 3.406 ( -1.038 0.106 0.623) 1.216 3.473 ( -2.183 0.340 0.700) 2.317 3.484 ( 2.346 -0.708 0.366) 2.478 3.541 ( -2.019 0.533 1.939) 2.850 3.606 ( -0.807 3.291 0.185) 3.393 3.942 ( -1.449 -1.138 -0.220) 1.855 4.012 ( -1.985 -0.610 -1.488) 2.555 4.051 ( -0.946 -2.486 1.646) 3.128 4.100 ( -3.164 -2.583 2.969) 5.050 4.116 ( 2.235 -1.349 1.139) 2.848 4.168 ( 0.760 0.066 1.256) 1.470 4.209 ( 3.601 -0.579 0.610) 3.697 4.315 ( 0.320 -0.807 -0.277) 0.912 4.814 ( 0.250 -2.394 0.807) 2.539 4.838 ( -0.186 -4.561 1.278) 4.740 4.999 ( 0.760 -2.362 1.083) 2.707 5.039 ( -2.193 0.254 -1.927) 2.930 5.430 ( 0.869 0.047 0.752) 1.150 5.611 ( -2.994 -0.338 -4.273) 5.228 5.670 ( -0.382 0.847 0.619) 1.116 5.744 ( -6.858 -2.248 2.850) 7.760 5.885 ( -1.235 0.123 -3.129) 3.367 5.998 ( -1.961 -8.109 8.225) 11.716 6.181 ( 6.294 -4.416 -1.579) 7.849 6.411 ( 0.818 -6.524 -6.211) 9.045 6.577 ( 0.026 -3.418 3.759) 5.080 6.719 ( -1.399 -3.579 6.421) 7.483 6.762 ( 4.077 -1.795 8.855) 9.913 6.901 ( 4.594 10.555 12.248) 16.808 7.111 ( -5.246 4.074 3.745) 7.625 7.207 ( 0.343 6.622 -3.006) 7.281 7.266 ( 6.671 4.701 -3.287) 8.798 7.296 ( 2.506 8.008 2.105) 8.651 7.649 ( -0.090 -7.678 -9.151) 11.946 7.936 ( -5.317 -1.018 -7.862) 9.546 8.132 ( 3.344 -1.388 0.405) 3.643 8.202 ( -5.550 0.641 -6.216) 8.357 14.631 ( 0.060 1.207 -0.211) 1.227 14.714 ( 1.115 3.433 -1.879) 4.069 14.861 ( 1.295 0.708 5.008) 5.221 15.014 ( -0.276 -1.290 -1.562) 2.045 15.172 ( -2.021 -0.933 -2.988) 3.726 15.228 ( -2.130 0.248 -1.504) 2.620 15.282 ( -0.127 1.662 -2.986) 3.420 15.489 ( 1.386 -0.217 -5.104) 5.293 15.647 ( 5.901 1.411 10.252) 11.913 15.902 ( -4.229 0.961 -2.570) 5.041 16.078 ( -0.875 -6.415 5.818) 8.705 16.401 ( 1.178 -1.874 -2.997) 3.726 16.719 ( -0.380 -0.944 0.324) 1.068 16.757 ( 0.667 0.439 -0.913) 1.213 16.853 ( -1.635 0.583 0.600) 1.837 16.875 ( 0.238 -0.901 0.547) 1.081 ======================= Grid point 44 (22/52) ======================= q-point: (-0.20 0.14 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.332 ( -5.241 9.301 5.449) 11.986 0.452 ( -8.591 10.353 5.496) 14.533 0.757 ( -13.274 11.946 4.989) 18.542 0.833 ( 1.141 15.892 2.018) 16.060 0.921 ( -2.552 4.087 4.766) 6.777 1.046 ( -4.637 5.780 2.113) 7.706 1.071 ( -0.624 5.972 -4.033) 7.233 1.109 ( 1.736 -0.189 -2.634) 3.161 1.218 ( 2.838 6.614 -9.600) 11.998 1.232 ( 2.288 4.334 -0.951) 4.992 1.299 ( 3.576 0.999 -4.559) 5.880 1.392 ( 0.095 1.873 1.509) 2.407 1.434 ( 0.443 0.447 0.428) 0.761 1.472 ( -0.219 0.957 -2.311) 2.511 1.534 ( -0.071 1.627 4.223) 4.526 1.630 ( 0.349 -1.339 2.014) 2.444 1.660 ( -3.571 -0.143 3.985) 5.352 1.712 ( 0.633 -0.283 -1.631) 1.772 1.725 ( 0.158 -1.090 -3.314) 3.492 1.785 ( 2.398 1.280 1.955) 3.348 1.832 ( 2.962 -1.196 0.514) 3.235 1.891 ( -2.493 -1.147 -0.877) 2.881 1.910 ( -1.815 -2.422 1.947) 3.598 1.938 ( -0.973 2.004 -1.650) 2.772 1.963 ( -1.938 0.708 0.548) 2.135 2.012 ( -3.710 0.369 2.184) 4.321 2.103 ( -0.005 -2.672 -0.339) 2.693 2.126 ( 1.454 -1.692 -3.220) 3.918 2.173 ( 2.663 2.669 -0.119) 3.772 2.206 ( -1.572 -1.953 -3.005) 3.913 2.242 ( 5.034 -0.395 -3.196) 5.976 2.257 ( 1.767 -3.444 -0.759) 3.945 2.289 ( -1.928 0.772 5.055) 5.465 2.353 ( -4.046 -3.462 3.471) 6.356 2.397 ( 1.636 -0.472 -0.347) 1.738 2.425 ( 3.521 0.468 0.121) 3.554 2.463 ( 2.217 -0.726 -2.171) 3.187 2.547 ( 3.308 -3.254 -4.809) 6.682 2.576 ( 1.782 -2.460 4.159) 5.150 2.649 ( 1.908 -1.611 -0.778) 2.616 2.709 ( 2.011 1.013 -6.067) 6.472 2.762 ( 2.302 1.861 -5.442) 6.195 2.800 ( -0.196 -1.113 -2.311) 2.573 2.876 ( -0.418 -1.353 1.035) 1.754 2.907 ( -0.538 0.167 -3.118) 3.169 2.960 ( 4.117 -1.103 2.460) 4.921 3.004 ( -0.331 -4.998 0.373) 5.023 3.020 ( 0.410 -1.184 -3.342) 3.569 3.104 ( -0.230 -4.480 -0.604) 4.526 3.138 ( -0.516 -1.023 -1.651) 2.010 3.173 ( 0.516 -0.153 2.827) 2.877 3.232 ( -4.333 -0.322 1.154) 4.496 3.249 ( 1.125 -2.660 0.544) 2.939 3.297 ( -3.014 1.246 -1.003) 3.412 3.369 ( -0.297 -0.179 3.779) 3.795 3.394 ( -0.935 0.928 2.347) 2.691 3.444 ( -1.152 0.941 1.886) 2.402 3.502 ( -1.779 3.471 1.553) 4.198 3.539 ( 0.053 2.030 0.510) 2.094 3.599 ( 0.850 0.664 1.383) 1.754 3.919 ( -0.710 -1.024 -0.093) 1.250 3.966 ( -1.173 0.843 0.553) 1.547 4.024 ( -3.530 -2.847 1.169) 4.683 4.089 ( 1.526 -0.929 -0.314) 1.814 4.162 ( -0.108 -1.744 1.544) 2.332 4.188 ( 1.299 0.087 1.177) 1.756 4.264 ( 2.129 -1.941 -0.616) 2.946 4.306 ( -0.867 -1.219 -0.675) 1.641 4.822 ( -0.123 -2.183 0.575) 2.260 4.835 ( -0.775 -3.694 0.760) 3.850 4.979 ( -2.214 -1.393 -1.168) 2.865 5.014 ( -0.458 -3.142 1.134) 3.372 5.449 ( 0.607 -1.366 2.103) 2.581 5.530 ( -4.228 0.375 -2.075) 4.724 5.599 ( -4.823 -0.260 -0.931) 4.919 5.684 ( -2.258 -0.362 0.970) 2.484 5.853 ( -1.528 -4.387 2.488) 5.270 5.967 ( -7.004 -5.857 6.525) 11.222 6.289 ( 5.306 -7.621 -1.113) 9.353 6.415 ( 3.149 -8.701 -3.507) 9.896 6.595 ( -0.635 -2.604 1.546) 3.094 6.706 ( -1.351 -6.381 -0.475) 6.540 6.837 ( -1.926 -3.936 6.535) 7.868 7.024 ( -1.691 8.624 0.596) 8.808 7.065 ( -2.098 8.989 1.548) 9.360 7.146 ( -2.616 11.739 -2.501) 12.284 7.438 ( 11.646 0.769 -3.919) 12.312 7.457 ( 9.924 8.364 4.694) 13.801 7.618 ( 6.022 0.440 1.720) 6.278 7.776 ( -6.015 -3.612 -7.249) 10.088 8.013 ( -8.988 0.019 -4.162) 9.905 8.184 ( 1.217 -0.847 0.637) 1.614 14.636 ( 0.397 1.209 0.390) 1.331 14.733 ( 1.967 3.560 -1.655) 4.391 14.918 ( 1.727 -1.694 -0.985) 2.612 15.052 ( 4.661 -1.020 4.856) 6.808 15.138 ( -1.409 0.078 0.025) 1.411 15.181 ( -0.389 0.769 -2.626) 2.764 15.305 ( 4.268 3.988 1.654) 6.072 15.433 ( -1.768 4.346 -8.997) 10.147 15.788 ( -0.706 -0.002 1.698) 1.839 15.846 ( 2.774 -0.484 3.776) 4.710 16.069 ( -2.945 -2.729 1.404) 4.253 16.355 ( -5.351 -7.538 -1.327) 9.339 16.724 ( 0.489 -1.116 1.239) 1.737 16.769 ( 1.132 0.469 -0.443) 1.303 16.821 ( -1.792 0.487 0.431) 1.906 16.879 ( -0.476 -1.020 0.525) 1.242 ======================= Grid point 45 (23/52) ======================= q-point: ( 0.00 0.29 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.569 ( -4.335 8.115 8.511) 12.534 0.600 ( 3.662 7.849 6.974) 11.120 0.928 ( 0.680 -0.426 1.506) 1.706 0.981 ( -0.258 5.196 2.634) 5.831 1.008 ( -5.343 9.025 -5.151) 11.685 1.151 ( 2.212 3.619 -1.500) 4.499 1.177 ( 1.110 4.584 -1.067) 4.836 1.214 ( -0.535 7.439 0.572) 7.480 1.277 ( -2.559 1.504 -2.324) 3.770 1.322 ( -0.004 4.968 -1.636) 5.230 1.386 ( 0.830 5.214 -3.531) 6.352 1.415 ( -1.959 0.277 -1.702) 2.609 1.487 ( -2.370 5.744 0.633) 6.246 1.561 ( 4.706 4.200 -3.645) 7.285 1.587 ( 0.006 1.726 -1.062) 2.027 1.602 ( 0.140 3.846 -1.630) 4.179 1.652 ( 0.850 1.062 -2.111) 2.511 1.683 ( 4.006 -2.336 3.406) 5.753 1.731 ( 0.034 -1.233 -0.447) 1.311 1.821 ( -4.870 -1.345 -0.109) 5.053 1.832 ( -0.488 1.950 1.197) 2.339 1.853 ( -1.999 -1.122 4.737) 5.262 1.901 ( 0.800 2.093 2.017) 3.015 1.933 ( -1.099 -3.376 -2.300) 4.230 1.944 ( 0.242 0.289 0.616) 0.722 1.995 ( 1.273 -1.673 3.370) 3.972 2.056 ( 0.943 2.992 2.627) 4.092 2.066 ( 0.405 -0.573 -2.892) 2.976 2.121 ( 0.344 0.861 3.104) 3.240 2.193 ( -0.306 0.216 -3.477) 3.497 2.218 ( 1.909 -3.588 0.667) 4.119 2.260 ( 1.922 -2.997 -0.049) 3.561 2.316 ( -0.374 -1.743 1.802) 2.535 2.340 ( 3.948 -3.409 3.086) 6.061 2.390 ( 1.235 -0.933 2.443) 2.891 2.419 ( -3.564 -0.381 -3.294) 4.868 2.476 ( 2.094 -2.673 -1.064) 3.558 2.500 ( 0.227 -2.253 -1.321) 2.622 2.552 ( 3.754 -0.805 -2.361) 4.507 2.615 ( -3.568 -0.154 1.150) 3.752 2.707 ( -3.604 -8.381 -3.758) 9.866 2.745 ( 0.433 -0.254 -4.989) 5.015 2.806 ( -2.023 0.760 -2.777) 3.519 2.817 ( 0.552 1.772 -5.903) 6.188 2.856 ( 1.915 -1.368 -4.108) 4.734 2.914 ( 0.299 -1.696 -1.453) 2.254 2.948 ( 0.133 -6.690 -0.299) 6.698 2.987 ( 2.117 0.690 -1.865) 2.904 3.077 ( -0.657 -0.536 0.877) 1.220 3.112 ( 5.176 -1.108 3.801) 6.516 3.142 ( -0.672 -0.196 1.984) 2.104 3.219 ( -2.789 -2.241 -4.294) 5.590 3.265 ( 1.861 0.126 4.048) 4.457 3.288 ( 1.156 1.041 1.020) 1.860 3.352 ( -2.065 0.488 2.427) 3.224 3.436 ( -1.641 0.731 4.185) 4.554 3.478 ( -1.180 1.012 2.845) 3.242 3.538 ( -1.535 1.801 -2.110) 3.171 3.597 ( 0.376 -0.799 1.937) 2.129 3.610 ( -0.515 0.786 1.761) 1.996 3.888 ( 0.388 -0.417 1.646) 1.742 3.955 ( -1.208 0.010 0.255) 1.234 3.997 ( 1.685 0.220 1.318) 2.150 4.070 ( -2.286 -1.361 -2.379) 3.569 4.134 ( 0.291 -0.361 1.973) 2.027 4.187 ( -1.163 -2.041 -0.286) 2.367 4.213 ( 2.373 -2.862 0.732) 3.789 4.260 ( -1.326 -1.390 -0.033) 1.921 4.762 ( -0.467 -2.326 0.636) 2.456 4.793 ( -0.460 -2.098 0.622) 2.237 4.875 ( -0.431 -4.412 -0.758) 4.497 4.923 ( -0.166 -4.322 -1.228) 4.496 5.441 ( -0.867 -0.496 -0.741) 1.243 5.478 ( 3.390 -0.571 -0.198) 3.443 5.522 ( -1.583 -1.115 -0.050) 1.937 5.577 ( -2.160 -2.434 -0.871) 3.369 5.838 ( -0.988 1.555 7.782) 7.997 5.937 ( -2.136 -2.575 6.338) 7.167 6.258 ( 2.523 -2.210 0.799) 3.447 6.298 ( 2.670 -6.002 0.767) 6.613 6.570 ( 0.740 -2.910 1.777) 3.489 6.594 ( -0.816 5.517 -2.692) 6.193 6.749 ( -0.112 -4.791 6.903) 8.403 7.052 ( -6.394 7.597 -11.882) 15.485 7.190 ( -6.236 9.637 -8.060) 14.026 7.376 ( 0.611 9.428 -2.087) 9.676 7.495 ( -4.510 0.232 -4.007) 6.037 7.535 ( 4.479 -5.140 4.916) 8.405 7.733 ( 2.212 8.746 -2.233) 9.294 7.760 ( -2.639 -4.371 -0.429) 5.124 8.008 ( 11.360 -3.311 7.498) 14.008 8.142 ( -0.580 -4.244 0.264) 4.292 14.685 ( 0.146 2.277 1.853) 2.939 14.779 ( -0.336 0.203 2.538) 2.568 14.933 ( 0.927 2.863 -3.815) 4.859 15.117 ( 0.466 -1.132 3.490) 3.698 15.147 ( 1.249 0.810 1.555) 2.153 15.185 ( 0.814 -1.217 0.497) 1.546 15.295 ( -0.923 0.869 -1.996) 2.365 15.534 ( 6.237 -3.104 -3.148) 7.645 15.624 ( -5.985 -1.871 -8.008) 10.171 15.824 ( -8.527 -3.730 -8.319) 12.483 16.081 ( 2.855 3.467 8.124) 9.283 16.238 ( 2.550 -1.042 4.549) 5.318 16.731 ( 0.091 0.262 1.595) 1.619 16.784 ( 0.126 0.286 -0.388) 0.498 16.827 ( 1.216 -0.509 0.431) 1.387 16.837 ( -0.836 -1.598 0.044) 1.804 ======================= Grid point 46 (24/52) ======================= q-point: ( 0.20 0.29 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.591 ( 0.851 6.162 6.105) 8.716 0.760 ( 6.105 3.959 10.044) 12.403 0.906 ( -0.701 3.351 0.464) 3.454 0.969 ( 1.261 6.910 -3.136) 7.693 1.010 ( 1.407 -1.935 1.462) 2.804 1.099 ( -3.278 8.311 -4.594) 10.046 1.141 ( -3.285 2.275 0.804) 4.076 1.194 ( -1.242 -1.221 0.016) 1.742 1.280 ( 2.602 4.310 -1.416) 5.229 1.354 ( 1.556 2.036 -6.450) 6.941 1.371 ( -0.484 1.814 -0.906) 2.084 1.398 ( 2.577 4.221 0.289) 4.954 1.449 ( -2.119 4.231 0.264) 4.739 1.516 ( -3.479 1.674 -2.433) 4.564 1.575 ( 0.561 5.041 -1.642) 5.331 1.619 ( 2.805 1.632 -1.686) 3.657 1.666 ( -2.573 2.257 -0.217) 3.430 1.722 ( 0.338 -0.319 2.427) 2.471 1.730 ( -1.745 1.257 2.103) 3.008 1.804 ( 2.996 -0.744 -0.657) 3.156 1.843 ( -1.365 -0.239 4.262) 4.481 1.871 ( 4.253 3.480 2.242) 5.936 1.929 ( 2.535 2.387 0.052) 3.482 1.955 ( 3.172 -0.830 -2.657) 4.220 1.981 ( 1.660 0.857 1.161) 2.199 2.035 ( 1.504 -3.094 1.292) 3.675 2.063 ( 0.866 -0.881 -2.117) 2.451 2.098 ( 1.663 2.364 1.284) 3.163 2.143 ( -0.696 0.870 0.894) 1.428 2.187 ( 1.308 1.130 -0.547) 1.813 2.260 ( -0.313 -3.756 -2.126) 4.327 2.265 ( -0.023 -1.021 4.004) 4.132 2.289 ( -3.579 -2.154 -3.048) 5.170 2.344 ( 0.052 1.950 0.161) 1.958 2.410 ( 1.465 -2.766 2.363) 3.922 2.430 ( -3.218 0.465 4.701) 5.716 2.456 ( -1.353 0.375 -2.613) 2.966 2.491 ( -0.679 -4.852 0.265) 4.907 2.539 ( -1.260 -1.813 3.943) 4.519 2.571 ( -3.753 -3.313 -3.373) 6.036 2.641 ( 1.665 -1.211 -3.417) 3.989 2.695 ( -2.001 -6.030 -4.352) 7.701 2.735 ( -1.965 3.804 -8.603) 9.610 2.798 ( 1.770 -1.077 -1.584) 2.607 2.841 ( -2.098 1.162 -2.384) 3.382 2.910 ( 1.480 -2.409 -3.574) 4.557 2.941 ( 1.387 -5.532 -1.882) 6.005 3.023 ( -0.053 -0.641 -3.941) 3.993 3.071 ( -0.431 -2.733 1.715) 3.255 3.133 ( 0.361 0.595 -1.724) 1.859 3.187 ( 1.007 -0.674 2.647) 2.911 3.218 ( 3.234 -3.713 3.034) 5.783 3.310 ( -0.068 -0.284 3.696) 3.707 3.325 ( 0.498 -1.833 -0.094) 1.901 3.348 ( -0.054 1.705 2.879) 3.346 3.421 ( -1.940 1.019 2.169) 3.083 3.440 ( -2.394 1.137 -0.993) 2.830 3.526 ( -0.177 -1.007 0.079) 1.026 3.583 ( -3.054 -0.287 3.981) 5.026 3.619 ( 0.625 0.620 1.188) 1.479 3.912 ( 0.068 -1.262 1.419) 1.900 3.945 ( 0.570 -0.192 0.578) 0.834 4.012 ( -1.663 -0.557 -1.266) 2.164 4.047 ( 2.644 -1.273 1.136) 3.146 4.136 ( -1.948 -1.142 1.734) 2.847 4.155 ( -1.800 -1.351 0.137) 2.255 4.217 ( -2.180 -0.234 -0.666) 2.291 4.271 ( 2.346 -0.628 0.355) 2.454 4.749 ( -1.376 -2.654 0.815) 3.099 4.782 ( -0.868 -2.525 0.436) 2.705 4.881 ( 1.395 -4.268 -0.627) 4.534 4.945 ( 3.441 -4.558 -0.965) 5.792 5.423 ( 0.259 2.205 -0.973) 2.424 5.550 ( 3.259 -2.400 0.487) 4.077 5.576 ( 5.616 -2.647 -0.069) 6.209 5.596 ( 5.145 -3.293 -0.166) 6.111 5.862 ( -2.088 0.054 6.986) 7.292 5.902 ( -5.650 -4.538 3.660) 8.119 6.312 ( 1.769 -4.938 0.692) 5.291 6.356 ( 3.125 -4.799 2.791) 6.370 6.564 ( -1.606 10.150 -2.610) 10.602 6.592 ( 0.549 0.985 2.807) 3.025 6.735 ( -6.591 3.757 0.164) 7.589 6.940 ( 3.207 1.006 -2.253) 4.046 7.026 ( -6.290 8.103 -3.763) 10.927 7.281 ( -2.321 -0.748 -6.468) 6.912 7.505 ( -0.425 6.728 2.443) 7.170 7.548 ( -7.919 5.914 -0.648) 9.905 7.624 ( -0.806 -6.844 1.721) 7.103 7.871 ( 7.647 1.983 -1.762) 8.093 8.111 ( -2.156 -3.773 -1.648) 4.648 8.210 ( 6.145 -5.380 1.943) 8.395 14.690 ( -0.930 2.370 1.413) 2.912 14.790 ( -0.573 0.387 2.568) 2.659 14.907 ( -1.536 5.097 -1.895) 5.651 15.062 ( -4.381 0.840 -0.031) 4.461 15.188 ( 2.138 -1.259 -0.990) 2.671 15.230 ( 2.918 0.374 1.072) 3.131 15.328 ( 2.975 -0.761 3.776) 4.867 15.468 ( -5.056 -1.143 -8.009) 9.540 15.572 ( -4.030 -2.187 -2.117) 5.050 15.703 ( 3.697 -9.362 -2.612) 10.399 16.133 ( -1.872 4.596 5.482) 7.395 16.325 ( 4.498 -0.398 -0.397) 4.533 16.734 ( -0.863 0.253 1.367) 1.637 16.778 ( -0.320 0.532 -0.664) 0.909 16.827 ( 0.212 -1.536 -0.522) 1.636 16.861 ( 1.350 -0.988 0.952) 1.925 ======================= Grid point 47 (25/52) ======================= q-point: ( 0.40 0.29 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.665 ( 2.714 4.196 3.472) 6.085 0.814 ( -2.996 4.676 1.126) 5.667 0.924 ( -2.472 4.790 1.656) 5.639 1.000 ( -3.200 3.399 3.367) 5.756 1.016 ( 0.879 6.887 4.396) 8.217 1.045 ( 2.203 -2.308 -3.399) 4.662 1.120 ( 6.546 3.164 -5.517) 9.126 1.228 ( -5.278 0.846 -1.956) 5.692 1.250 ( 1.105 -2.588 0.560) 2.869 1.328 ( 3.343 0.634 -0.675) 3.469 1.386 ( 2.677 4.069 -0.588) 4.906 1.418 ( -0.569 -1.879 2.969) 3.559 1.454 ( 0.463 6.621 0.332) 6.645 1.522 ( 3.737 7.229 -0.381) 8.147 1.575 ( -4.562 1.456 1.496) 5.017 1.591 ( 2.047 3.722 -2.807) 5.091 1.662 ( 2.055 1.596 -1.053) 2.807 1.719 ( -1.661 2.860 0.997) 3.454 1.756 ( -0.194 0.338 3.418) 3.440 1.813 ( -1.755 -1.032 -1.554) 2.561 1.851 ( -0.206 0.864 0.617) 1.081 1.945 ( 1.427 3.984 1.172) 4.391 1.954 ( 0.656 -1.447 -0.649) 1.716 1.994 ( -0.071 -0.423 -0.743) 0.858 2.017 ( 2.934 2.897 -0.070) 4.124 2.041 ( -0.893 1.808 0.426) 2.061 2.060 ( -0.454 -0.212 1.900) 1.965 2.124 ( -0.774 0.447 -3.583) 3.693 2.135 ( 1.157 0.673 0.688) 1.505 2.189 ( -0.811 1.155 -2.213) 2.625 2.206 ( -1.141 2.004 -0.672) 2.402 2.262 ( 2.572 -1.439 -2.795) 4.062 2.275 ( 1.629 -0.344 -1.148) 2.022 2.348 ( -3.108 -0.751 2.718) 4.197 2.369 ( -4.158 -4.216 -2.501) 6.428 2.395 ( -1.472 0.432 3.337) 3.673 2.442 ( -3.225 -6.261 -1.448) 7.190 2.469 ( -1.419 -6.247 2.819) 6.999 2.517 ( 2.954 3.129 -0.108) 4.304 2.586 ( -0.020 -1.864 -0.812) 2.033 2.629 ( -2.081 -1.047 -0.154) 2.335 2.671 ( 4.791 2.655 -9.837) 11.259 2.703 ( 2.698 -4.498 4.685) 7.033 2.778 ( -2.028 -1.954 -0.290) 2.831 2.808 ( 0.805 -1.779 -4.568) 4.968 2.904 ( 1.724 -3.694 -4.957) 6.418 2.977 ( 1.303 -2.972 -5.860) 6.698 3.005 ( 4.172 0.201 -0.823) 4.257 3.030 ( -3.627 -3.080 -0.461) 4.781 3.153 ( -0.138 -1.250 -0.452) 1.336 3.215 ( -0.098 1.123 3.253) 3.443 3.272 ( -1.169 -3.557 -1.573) 4.061 3.288 ( -1.094 -2.715 0.263) 2.939 3.331 ( -0.602 0.290 3.862) 3.920 3.346 ( 0.417 -0.248 1.416) 1.496 3.408 ( 0.097 0.424 -1.412) 1.477 3.423 ( -0.931 1.016 3.532) 3.791 3.504 ( -2.226 -1.362 0.291) 2.625 3.575 ( -1.138 0.926 3.523) 3.816 3.649 ( 0.757 1.316 2.972) 3.337 3.914 ( 0.052 -1.661 0.671) 1.792 3.962 ( 0.888 -2.298 0.016) 2.463 4.020 ( 2.007 -0.431 1.197) 2.377 4.076 ( -2.444 -2.292 -0.205) 3.356 4.103 ( -1.050 -2.034 1.887) 2.967 4.127 ( -0.857 -1.823 -0.052) 2.015 4.184 ( -0.897 2.161 0.414) 2.377 4.300 ( 0.783 -0.229 -0.296) 0.868 4.736 ( -0.676 -3.013 1.232) 3.324 4.777 ( -0.041 -2.608 0.494) 2.655 4.905 ( 1.215 -4.564 0.153) 4.726 4.996 ( 2.142 -5.301 -1.582) 5.932 5.441 ( 1.894 2.882 -0.898) 3.564 5.602 ( 2.015 -1.969 0.467) 2.856 5.646 ( 1.662 -1.202 0.924) 2.250 5.730 ( 6.981 -6.001 1.787) 9.377 5.804 ( -5.862 -3.728 1.715) 7.156 5.863 ( -2.409 -2.286 6.909) 7.665 6.300 ( -1.376 -3.681 -5.555) 6.805 6.354 ( -5.873 -1.499 -6.506) 8.892 6.497 ( 0.364 3.970 -0.860) 4.078 6.650 ( 1.485 4.055 4.374) 6.146 6.692 ( -0.254 3.613 9.352) 10.029 6.950 ( 1.854 5.285 -1.189) 5.726 7.060 ( 5.304 -0.734 6.526) 8.442 7.249 ( 1.583 0.760 -3.140) 3.597 7.378 ( -6.139 -1.452 0.644) 6.341 7.514 ( -1.439 11.786 -1.338) 11.949 7.600 ( -2.148 -1.922 -1.850) 3.424 7.979 ( 3.663 -2.110 -0.154) 4.230 8.047 ( -1.379 -2.003 -4.948) 5.513 8.256 ( -0.262 -4.870 -3.042) 5.748 14.675 ( -1.193 2.267 0.621) 2.636 14.781 ( -1.326 1.041 0.217) 1.700 14.882 ( -0.542 4.755 1.369) 4.978 15.010 ( -1.118 0.088 -1.382) 1.780 15.193 ( -0.176 -2.696 -4.512) 5.259 15.264 ( -0.069 -0.638 -0.121) 0.653 15.319 ( -2.069 -0.878 -4.291) 4.844 15.475 ( 1.881 2.161 -0.325) 2.884 15.489 ( 2.176 -2.159 5.186) 6.024 15.808 ( 4.475 -9.596 6.679) 12.519 16.094 ( -4.145 5.308 -0.794) 6.781 16.373 ( 1.742 -1.722 -2.731) 3.668 16.724 ( -0.858 0.577 0.747) 1.276 16.769 ( -0.000 0.858 -0.876) 1.226 16.835 ( 0.757 -1.492 -0.113) 1.677 16.874 ( -0.423 -1.115 0.204) 1.210 ======================= Grid point 48 (26/52) ======================= q-point: (-0.40 0.29 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.630 ( -6.067 8.254 -1.123) 10.306 0.765 ( -7.188 6.941 1.376) 10.087 0.880 ( 0.266 -0.940 6.782) 6.852 0.999 ( -0.120 3.535 1.926) 4.027 1.052 ( 3.154 6.428 -0.813) 7.207 1.083 ( -0.272 1.892 -3.788) 4.243 1.134 ( 0.737 0.535 1.470) 1.729 1.238 ( 6.677 1.701 -0.301) 6.897 1.286 ( 1.462 9.162 -1.719) 9.436 1.331 ( -0.007 2.487 -1.715) 3.021 1.406 ( -1.989 2.401 0.835) 3.228 1.442 ( -1.092 3.399 2.956) 4.635 1.486 ( 1.505 1.414 2.489) 3.234 1.542 ( -0.100 4.638 -1.630) 4.917 1.576 ( -0.037 1.938 -5.119) 5.474 1.609 ( 2.717 1.160 2.976) 4.194 1.677 ( -0.421 3.962 0.627) 4.034 1.702 ( -3.746 1.168 0.479) 3.953 1.722 ( 1.213 1.361 3.113) 3.607 1.764 ( -2.000 0.124 -0.923) 2.206 1.841 ( -1.158 -0.919 -0.476) 1.554 1.914 ( -3.314 2.774 0.690) 4.377 1.944 ( -0.947 -0.323 -1.392) 1.714 1.992 ( -3.408 1.040 -0.544) 3.605 2.018 ( 1.640 -2.417 -2.728) 3.997 2.054 ( 1.233 -0.010 0.962) 1.564 2.070 ( -2.075 2.724 2.337) 4.146 2.109 ( -4.415 -0.761 -1.764) 4.815 2.123 ( 4.675 2.691 1.341) 5.558 2.168 ( 0.173 -1.910 -1.581) 2.485 2.208 ( 1.986 3.000 -1.590) 3.933 2.266 ( -2.122 -4.025 -5.065) 6.809 2.268 ( -3.819 -4.317 1.701) 6.010 2.319 ( 1.060 -1.334 -1.347) 2.172 2.360 ( 2.217 0.255 0.911) 2.410 2.380 ( -0.171 -1.680 -0.374) 1.730 2.404 ( 0.865 -3.497 0.086) 3.604 2.457 ( -1.190 -5.033 0.734) 5.224 2.517 ( 0.012 -2.948 -2.300) 3.739 2.594 ( 1.605 2.533 1.520) 3.362 2.669 ( 3.977 0.529 3.013) 5.017 2.717 ( 5.735 -0.989 -8.689) 10.458 2.780 ( 2.336 -7.345 -2.511) 8.107 2.795 ( 2.257 0.027 -4.137) 4.713 2.800 ( 2.736 -1.517 6.031) 6.794 2.910 ( 1.736 -2.896 -3.294) 4.717 2.950 ( -0.934 -2.165 -2.266) 3.270 2.973 ( -0.331 -2.486 -3.064) 3.960 3.078 ( 0.034 -1.165 -2.524) 2.781 3.100 ( 1.107 -1.697 -2.813) 3.467 3.209 ( -2.476 1.550 -1.185) 3.153 3.240 ( -1.880 -0.520 4.430) 4.841 3.264 ( -0.674 -0.586 -1.821) 2.028 3.334 ( -1.825 -0.848 2.121) 2.923 3.381 ( 0.501 0.738 -1.718) 1.936 3.407 ( -0.219 -1.088 4.215) 4.359 3.450 ( 1.205 -1.739 3.410) 4.013 3.479 ( -0.603 0.458 2.870) 2.969 3.572 ( -1.209 2.482 2.627) 3.811 3.662 ( -1.315 1.776 1.412) 2.622 3.916 ( -0.917 -1.058 0.812) 1.619 3.984 ( 1.061 -2.514 -0.620) 2.798 4.015 ( -3.543 -0.145 0.939) 3.668 4.054 ( -0.774 -1.753 1.612) 2.504 4.082 ( 1.662 -1.690 0.327) 2.392 4.153 ( 1.350 -3.184 1.004) 3.602 4.189 ( 1.029 0.592 -0.006) 1.187 4.296 ( -0.789 -1.057 -0.349) 1.364 4.743 ( 0.414 -3.051 1.369) 3.370 4.784 ( 0.307 -2.317 0.629) 2.420 4.918 ( -0.236 -5.201 0.758) 5.261 4.985 ( -1.650 -4.889 -2.093) 5.568 5.453 ( -0.594 2.054 -0.102) 2.141 5.597 ( -1.659 -0.744 -1.367) 2.275 5.658 ( -3.939 -4.721 -0.477) 6.167 5.714 ( -2.074 2.300 6.841) 7.509 5.831 ( -1.113 -3.641 -0.756) 3.881 5.886 ( -0.452 -4.859 9.161) 10.380 6.176 ( -0.852 2.460 -8.663) 9.046 6.275 ( -0.209 -5.329 -4.838) 7.200 6.513 ( 0.457 -1.687 1.634) 2.393 6.655 ( -1.435 0.591 1.003) 1.848 6.748 ( -1.419 -2.444 5.095) 5.827 7.094 ( 10.123 5.167 4.420) 12.195 7.184 ( 2.492 3.701 11.407) 12.249 7.259 ( 3.139 3.098 -1.073) 4.539 7.414 ( 6.499 1.196 1.528) 6.783 7.453 ( -1.841 8.441 -3.962) 9.504 7.542 ( -1.704 1.087 -2.419) 3.152 7.906 ( -5.060 -1.590 -8.289) 9.841 8.084 ( 3.561 -3.176 -0.113) 4.773 8.170 ( -5.780 -3.923 -5.714) 9.025 14.665 ( -0.314 2.075 0.427) 2.142 14.767 ( -0.264 0.991 0.366) 1.089 14.897 ( 1.580 2.995 -0.127) 3.389 14.997 ( 0.523 0.326 -0.717) 0.945 15.148 ( -1.183 -1.446 -2.644) 3.238 15.214 ( -1.996 -1.690 -2.840) 3.861 15.317 ( 0.800 1.352 -0.059) 1.572 15.453 ( 1.701 -2.927 -4.017) 5.254 15.678 ( 7.619 1.639 10.697) 13.235 15.919 ( 1.302 -4.638 6.911) 8.424 15.987 ( -5.142 3.310 -2.583) 6.639 16.343 ( -2.385 -3.979 -5.027) 6.840 16.717 ( -0.364 0.811 0.537) 1.038 16.769 ( 0.630 0.820 -0.910) 1.377 16.847 ( 0.288 -1.773 0.433) 1.848 16.852 ( -1.535 -0.806 -0.492) 1.803 ======================= Grid point 49 (27/52) ======================= q-point: (-0.20 0.29 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.551 ( -1.853 11.315 2.349) 11.704 0.638 ( -8.543 7.979 6.697) 13.472 0.914 ( -1.135 0.840 2.707) 3.053 0.983 ( -2.086 2.181 3.006) 4.259 1.081 ( 3.345 4.871 -0.520) 5.932 1.119 ( 4.725 3.369 -5.886) 8.266 1.164 ( -2.162 6.048 0.908) 6.487 1.230 ( -2.827 9.616 -2.612) 10.358 1.310 ( 0.117 3.103 1.299) 3.366 1.361 ( -0.653 5.775 -1.414) 5.981 1.414 ( 0.285 3.099 3.205) 4.467 1.424 ( 1.969 6.687 -1.729) 7.182 1.460 ( 2.007 1.995 -3.524) 4.519 1.526 ( -1.110 4.038 -0.928) 4.289 1.588 ( 0.590 4.287 -3.421) 5.516 1.595 ( -0.427 -1.321 0.561) 1.497 1.658 ( -1.374 1.376 2.938) 3.523 1.697 ( -1.746 -0.527 -3.315) 3.784 1.717 ( 0.058 -0.947 0.212) 0.972 1.798 ( 1.195 0.233 5.102) 5.245 1.840 ( 1.450 1.401 1.433) 2.473 1.870 ( -1.429 0.080 -0.570) 1.540 1.907 ( -0.271 1.651 3.257) 3.661 1.952 ( -1.598 -0.007 0.424) 1.653 1.977 ( -6.711 -1.324 -4.420) 8.144 2.031 ( 0.322 -0.438 0.062) 0.548 2.058 ( -3.136 -1.494 1.763) 3.896 2.082 ( 0.462 0.261 1.786) 1.863 2.124 ( -3.458 -2.925 -2.675) 5.260 2.190 ( 0.321 -5.694 -1.192) 5.827 2.206 ( 2.496 0.629 -1.268) 2.869 2.243 ( 1.373 -0.179 -1.587) 2.106 2.253 ( 1.039 -2.477 3.591) 4.484 2.304 ( -0.794 -2.276 0.671) 2.502 2.374 ( 0.465 -1.448 -0.366) 1.564 2.417 ( 3.399 -0.980 0.012) 3.537 2.452 ( 5.418 -0.438 -2.355) 5.924 2.483 ( 1.086 -2.298 -1.386) 2.895 2.500 ( 0.157 -3.991 -0.966) 4.109 2.652 ( 0.494 1.142 3.099) 3.340 2.731 ( 4.529 0.855 -6.843) 8.250 2.751 ( 1.328 -6.781 -2.520) 7.355 2.793 ( 2.383 -4.054 -1.146) 4.840 2.823 ( 2.679 2.195 -4.938) 6.031 2.865 ( -0.003 -2.945 1.183) 3.174 2.909 ( 1.240 -1.345 -1.341) 2.268 2.947 ( 0.261 -5.914 -1.256) 6.051 2.983 ( 4.034 1.148 -0.243) 4.202 3.013 ( -1.454 -0.495 -2.854) 3.241 3.129 ( -2.262 0.330 -3.743) 4.386 3.160 ( 0.223 -0.869 2.088) 2.272 3.213 ( -3.036 -1.909 2.759) 4.525 3.258 ( 1.214 1.380 -0.725) 1.976 3.306 ( -1.923 -0.263 -0.673) 2.054 3.373 ( -1.050 0.240 0.618) 1.242 3.423 ( -1.224 1.061 5.894) 6.113 3.468 ( -1.328 0.959 5.060) 5.318 3.538 ( 4.044 -2.010 -0.716) 4.572 3.578 ( -0.809 3.039 3.934) 5.036 3.625 ( -2.520 2.300 -0.431) 3.439 3.893 ( -1.512 -0.441 0.384) 1.621 3.973 ( -0.866 -1.638 -0.645) 1.962 3.981 ( -1.113 0.531 1.687) 2.090 4.076 ( 1.991 -0.219 0.244) 2.017 4.118 ( 0.516 -2.288 1.536) 2.804 4.177 ( 0.875 -2.755 0.952) 3.043 4.202 ( 0.437 -1.997 -1.351) 2.450 4.277 ( -1.069 -1.869 0.453) 2.200 4.759 ( 0.298 -2.681 0.815) 2.818 4.792 ( 0.095 -1.856 0.520) 1.930 4.902 ( -1.844 -5.170 -0.038) 5.489 4.942 ( -1.174 -4.327 -0.978) 4.589 5.435 ( -0.556 -0.322 0.343) 0.728 5.524 ( -5.716 -2.301 0.300) 6.169 5.578 ( -2.451 0.479 -3.026) 3.923 5.671 ( -7.009 -0.959 0.954) 7.138 5.806 ( -1.163 0.553 6.575) 6.700 5.919 ( -1.233 -2.762 6.602) 7.262 6.199 ( 4.770 -1.483 -2.445) 5.562 6.262 ( 1.477 -5.349 -2.184) 5.963 6.538 ( 1.133 -3.159 1.821) 3.818 6.630 ( -0.920 1.978 -2.491) 3.312 6.731 ( -2.821 -6.305 5.539) 8.854 7.213 ( -2.126 6.298 -6.772) 9.489 7.266 ( 2.450 10.512 6.610) 12.657 7.321 ( 2.586 0.522 -6.512) 7.026 7.418 ( 2.731 4.207 2.620) 5.659 7.577 ( 8.041 1.623 -0.049) 8.204 7.639 ( 11.112 2.752 10.755) 15.708 7.726 ( -6.946 -0.475 -11.920) 13.804 7.996 ( -8.589 -1.890 -4.223) 9.756 8.132 ( 1.315 -4.234 0.821) 4.509 14.670 ( 0.289 2.087 1.096) 2.374 14.771 ( -0.224 0.211 1.652) 1.680 14.926 ( 2.761 2.160 -4.235) 5.498 15.037 ( 3.463 -0.191 2.816) 4.467 15.132 ( 0.025 -0.479 0.861) 0.985 15.179 ( -0.324 -0.893 -1.317) 1.624 15.324 ( -0.306 0.186 0.208) 0.414 15.473 ( 3.858 -1.879 -5.691) 7.128 15.785 ( -5.396 0.051 -5.537) 7.732 15.902 ( 4.038 5.678 7.116) 9.959 15.995 ( -0.668 -4.210 3.343) 5.417 16.239 ( -4.803 -4.549 -1.360) 6.754 16.719 ( 0.084 0.692 0.917) 1.152 16.777 ( 0.838 0.504 -0.647) 1.172 16.824 ( -0.892 -0.438 -0.256) 1.026 16.850 ( -0.569 -1.756 0.531) 1.921 ======================= Grid point 50 (28/52) ======================= q-point: ( 0.00 0.43 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.705 ( -3.203 5.535 6.128) 8.857 0.743 ( -0.158 4.773 0.651) 4.819 0.868 ( -1.885 -2.179 5.840) 6.512 0.934 ( -2.427 -5.073 1.509) 5.822 1.178 ( -0.803 3.540 -0.076) 3.630 1.211 ( 2.728 2.499 -2.751) 4.611 1.255 ( -1.026 0.688 -0.635) 1.389 1.266 ( -4.487 0.792 -1.844) 4.916 1.343 ( -1.363 3.897 -1.416) 4.365 1.413 ( -1.654 0.405 -2.016) 2.639 1.425 ( 2.393 5.726 -1.912) 6.493 1.483 ( -2.744 4.690 -4.150) 6.837 1.561 ( 2.520 -4.827 0.472) 5.466 1.598 ( -0.635 -6.255 -0.484) 6.305 1.607 ( -0.394 2.324 -4.180) 4.799 1.618 ( -0.280 0.361 -5.429) 5.448 1.681 ( -0.081 2.563 -1.747) 3.103 1.700 ( 0.084 3.038 -1.462) 3.372 1.730 ( 4.153 4.843 1.470) 6.547 1.782 ( 0.603 -1.101 1.865) 2.248 1.842 ( -1.385 -1.528 0.174) 2.070 1.863 ( -2.053 -0.584 3.699) 4.270 1.895 ( -0.244 -0.930 1.493) 1.775 1.930 ( 1.609 1.036 3.222) 3.748 2.008 ( 2.161 4.517 -1.470) 5.219 2.039 ( 0.491 1.782 -1.232) 2.221 2.043 ( -0.632 3.372 0.234) 3.439 2.085 ( 3.464 -0.917 1.911) 4.061 2.141 ( 0.937 0.132 2.428) 2.606 2.160 ( 2.082 -1.501 0.029) 2.567 2.187 ( 0.316 -1.452 0.742) 1.660 2.235 ( -0.447 0.946 0.977) 1.431 2.240 ( 0.850 -1.712 3.013) 3.569 2.275 ( 0.756 -5.902 0.706) 5.992 2.376 ( 0.582 -0.300 1.552) 1.684 2.392 ( 1.191 -3.142 0.931) 3.487 2.447 ( 0.235 2.028 0.927) 2.242 2.500 ( 2.226 0.632 -2.126) 3.142 2.515 ( 0.231 -1.649 -3.800) 4.149 2.577 ( -0.810 -3.279 1.305) 3.621 2.595 ( -3.076 0.045 -1.076) 3.259 2.681 ( -1.100 -5.316 -4.970) 7.360 2.815 ( -1.001 -0.043 -1.506) 1.809 2.821 ( 2.087 -1.121 -5.766) 6.233 2.863 ( 0.856 -0.331 -0.714) 1.163 2.872 ( 2.276 0.273 -1.513) 2.747 2.931 ( -0.966 3.725 -4.903) 6.233 2.994 ( 1.205 -0.969 -3.432) 3.764 3.084 ( -2.787 1.032 1.723) 3.435 3.095 ( 1.929 -0.565 2.182) 2.966 3.120 ( 1.792 -1.261 1.867) 2.878 3.151 ( -3.146 -3.537 -0.801) 4.801 3.288 ( 1.032 1.979 2.726) 3.523 3.312 ( 0.972 0.313 1.003) 1.431 3.374 ( -0.311 2.123 0.396) 2.182 3.435 ( -0.753 -1.971 3.416) 4.015 3.481 ( -1.374 -0.502 4.371) 4.609 3.497 ( -1.302 -2.088 -0.156) 2.466 3.617 ( -1.206 1.171 -0.889) 1.902 3.625 ( -1.139 0.434 -1.088) 1.634 3.906 ( -0.031 1.654 -0.293) 1.680 3.942 ( -0.471 -1.685 -0.677) 1.876 4.020 ( 0.452 2.302 0.313) 2.366 4.059 ( -0.961 -0.716 -1.441) 1.874 4.121 ( -0.019 0.011 2.197) 2.197 4.157 ( -0.931 -2.221 2.102) 3.196 4.177 ( 2.292 1.035 2.021) 3.226 4.221 ( -0.460 -2.466 1.972) 3.191 4.730 ( -0.370 -0.416 0.406) 0.689 4.753 ( -0.325 -2.144 -0.097) 2.170 4.808 ( -0.202 -0.955 -1.007) 1.402 4.839 ( -0.110 -3.409 -1.466) 3.712 5.432 ( 1.795 0.169 -0.084) 1.805 5.453 ( 2.188 -1.706 0.076) 2.776 5.527 ( -3.531 1.268 -1.155) 3.926 5.551 ( -2.523 -0.970 -1.858) 3.280 5.858 ( -1.725 0.739 6.839) 7.092 5.883 ( -2.799 -2.095 6.658) 7.520 6.222 ( 1.769 -0.711 -0.509) 1.973 6.234 ( 2.760 -1.574 -0.385) 3.201 6.565 ( 1.825 2.439 5.109) 5.948 6.644 ( 1.403 -4.870 7.640) 9.168 6.786 ( 0.954 12.307 -1.679) 12.457 7.038 ( -0.860 -10.248 -6.373) 12.099 7.344 ( -4.952 6.713 -9.886) 12.935 7.431 ( -8.239 -1.083 -13.611) 15.947 7.479 ( -0.053 3.554 3.313) 4.859 7.575 ( -1.480 -2.536 0.218) 2.944 7.741 ( 1.937 6.174 4.260) 7.747 7.879 ( 7.945 0.374 1.776) 8.150 7.925 ( 2.401 -0.213 3.569) 4.307 8.035 ( 0.518 -5.992 -0.085) 6.015 14.731 ( -0.171 2.157 2.953) 3.661 14.767 ( -0.453 -1.313 3.522) 3.786 15.005 ( 1.694 4.160 -2.720) 5.250 15.082 ( 2.425 -2.954 -0.016) 3.822 15.153 ( 1.198 0.027 2.118) 2.433 15.159 ( 0.513 -0.805 1.882) 2.110 15.339 ( 0.070 3.395 -1.127) 3.578 15.429 ( 1.535 -5.493 -1.030) 5.796 15.655 ( -6.442 3.446 -9.936) 12.333 15.738 ( -8.069 -4.514 -9.182) 13.031 16.153 ( 3.660 3.344 6.601) 8.256 16.208 ( 3.657 -2.093 5.266) 6.745 16.752 ( -0.070 1.686 0.911) 1.917 16.790 ( -0.020 -1.220 0.211) 1.238 16.798 ( 0.025 -0.129 -0.245) 0.278 16.815 ( 0.430 -0.995 0.038) 1.085 ======================= Grid point 51 (29/52) ======================= q-point: ( 0.20 0.43 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.718 ( 0.177 6.329 5.945) 8.685 0.809 ( 4.980 -0.023 4.926) 7.004 0.874 ( -1.890 -1.605 5.351) 5.898 0.928 ( 0.499 -4.542 3.507) 5.760 1.105 ( -3.033 3.367 -4.840) 6.630 1.143 ( -4.702 -0.615 -2.906) 5.562 1.221 ( -1.370 3.604 -0.243) 3.864 1.255 ( -0.209 3.419 -1.166) 3.618 1.327 ( 0.054 1.432 -0.816) 1.650 1.367 ( -1.683 -1.510 -2.267) 3.201 1.404 ( -2.303 4.414 -3.891) 6.319 1.487 ( 1.350 5.967 -0.352) 6.128 1.522 ( 1.123 -4.016 -4.473) 6.115 1.589 ( 0.539 3.605 -1.584) 3.975 1.607 ( -0.055 -0.113 0.632) 0.645 1.622 ( 2.700 -1.379 -1.549) 3.405 1.677 ( 0.695 2.334 -0.796) 2.562 1.707 ( 1.617 -1.245 0.716) 2.163 1.802 ( 0.318 2.161 0.121) 2.187 1.827 ( -0.115 1.655 1.254) 2.080 1.840 ( 0.330 2.291 4.345) 4.923 1.865 ( 2.261 -0.306 2.637) 3.487 1.928 ( 2.374 -4.164 1.871) 5.146 1.983 ( 0.703 -5.158 0.323) 5.216 2.035 ( 0.869 4.543 -0.309) 4.636 2.041 ( 2.271 5.147 -3.688) 6.727 2.057 ( 4.137 4.392 -1.578) 6.237 2.122 ( 0.835 -3.385 -1.004) 3.628 2.161 ( 0.434 1.581 -2.994) 3.414 2.183 ( 2.148 0.028 -1.644) 2.705 2.196 ( -1.191 -0.816 0.896) 1.700 2.225 ( -2.124 -2.009 0.273) 2.937 2.259 ( 0.894 -0.920 4.102) 4.298 2.302 ( -0.443 -6.656 0.258) 6.676 2.384 ( -1.274 0.253 0.699) 1.475 2.409 ( -1.364 -1.002 3.108) 3.539 2.470 ( -1.793 0.179 2.869) 3.388 2.483 ( -0.518 3.060 -1.082) 3.287 2.502 ( 2.270 0.886 1.954) 3.123 2.552 ( -2.795 -2.334 2.089) 4.198 2.574 ( -0.123 -1.154 -2.680) 2.920 2.611 ( -1.899 -3.612 -3.613) 5.451 2.765 ( -1.978 -0.302 -3.883) 4.368 2.796 ( -0.545 -3.514 -3.712) 5.140 2.849 ( -0.662 3.637 -2.612) 4.526 2.896 ( 0.560 2.451 -4.138) 4.842 2.902 ( 3.091 -0.093 -2.220) 3.807 2.986 ( -0.746 -4.975 -4.978) 7.077 3.034 ( -1.987 1.935 -0.874) 2.908 3.104 ( 1.116 -3.544 -0.991) 3.846 3.172 ( 1.437 -0.352 2.924) 3.277 3.180 ( 2.227 -0.519 3.840) 4.469 3.303 ( -1.445 0.027 0.751) 1.629 3.314 ( -1.804 -0.309 0.909) 2.043 3.374 ( -0.268 2.007 1.503) 2.522 3.428 ( -1.576 -1.857 1.098) 2.672 3.463 ( -1.816 1.195 1.931) 2.908 3.486 ( -0.945 -1.425 2.920) 3.384 3.595 ( -0.641 1.048 0.191) 1.243 3.615 ( 0.556 -0.811 0.404) 1.063 3.902 ( -0.467 0.213 0.139) 0.532 3.922 ( -0.785 -1.671 -0.344) 1.878 4.019 ( -0.598 1.142 -0.518) 1.389 4.037 ( -0.081 -0.406 -0.834) 0.931 4.117 ( -2.491 -0.041 2.391) 3.454 4.132 ( -2.222 -1.076 1.538) 2.908 4.228 ( 0.786 1.109 1.413) 1.960 4.254 ( 2.384 -1.193 1.713) 3.169 4.716 ( -1.362 -0.305 0.482) 1.477 4.738 ( -1.061 -1.948 -0.082) 2.219 4.814 ( 1.470 -1.128 -0.803) 2.020 4.850 ( 2.368 -4.110 -1.282) 4.914 5.473 ( 1.449 2.469 0.362) 2.886 5.509 ( 3.896 -1.618 1.568) 4.501 5.527 ( 3.838 -0.789 -1.483) 4.190 5.551 ( 3.843 -2.288 -2.057) 4.922 5.845 ( -5.545 -0.898 5.818) 8.087 5.850 ( -3.564 -0.929 5.273) 6.432 6.247 ( 0.943 -0.682 -0.714) 1.365 6.276 ( 1.724 -3.136 -0.121) 3.581 6.649 ( 2.549 4.145 8.044) 9.402 6.726 ( 0.358 -2.584 5.580) 6.160 6.788 ( 0.115 10.531 1.086) 10.587 6.956 ( -1.745 -3.411 -6.306) 7.379 7.164 ( -7.867 5.083 -9.842) 13.587 7.229 ( -3.352 -2.242 -8.138) 9.082 7.486 ( -6.809 -2.083 0.105) 7.121 7.510 ( 0.044 -3.860 3.433) 5.166 7.779 ( 0.470 11.983 1.723) 12.115 7.960 ( 2.181 4.131 -0.519) 4.700 7.996 ( 1.743 -6.688 -1.218) 7.018 8.086 ( 4.170 -6.230 0.858) 7.546 14.738 ( -1.340 2.250 2.699) 3.761 14.777 ( -1.321 -1.528 3.725) 4.237 15.006 ( 0.497 5.057 -2.962) 5.881 15.091 ( -0.881 -1.331 -1.978) 2.542 15.152 ( -1.410 0.532 0.331) 1.543 15.205 ( 0.993 -2.700 2.602) 3.879 15.355 ( 1.738 3.247 1.323) 3.913 15.430 ( -0.749 -3.214 -2.069) 3.896 15.542 ( -0.417 -0.638 -2.634) 2.742 15.566 ( -2.698 -3.613 -6.915) 8.255 16.223 ( 0.327 4.142 3.283) 5.295 16.293 ( 2.669 -2.707 1.374) 4.042 16.754 ( -0.424 1.528 0.786) 1.770 16.788 ( -0.156 -1.259 0.076) 1.271 16.801 ( 0.432 0.701 -0.407) 0.918 16.832 ( 0.917 -1.746 0.177) 1.980 ======================= Grid point 52 (30/52) ======================= q-point: ( 0.40 0.43 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.775 ( 1.453 6.226 5.872) 8.680 0.864 ( -2.991 0.485 4.829) 5.701 0.911 ( -1.183 -2.478 2.650) 3.816 0.963 ( -0.955 -4.224 7.174) 8.380 1.063 ( 2.981 3.023 -3.167) 5.297 1.112 ( 2.953 -1.964 0.656) 3.607 1.207 ( -3.121 4.121 -1.426) 5.363 1.232 ( 2.412 2.176 2.484) 4.089 1.275 ( -1.993 3.988 -4.097) 6.055 1.343 ( 1.439 -1.164 -3.035) 3.555 1.407 ( 1.257 3.114 3.150) 4.605 1.481 ( 0.531 1.803 -0.843) 2.060 1.544 ( 0.952 -0.510 1.915) 2.199 1.594 ( -0.056 5.254 -0.137) 5.256 1.625 ( 1.251 -1.442 -0.451) 1.961 1.660 ( 1.631 -2.184 -1.360) 3.047 1.687 ( 1.358 5.940 -0.105) 6.094 1.731 ( 0.250 -0.677 -0.021) 0.722 1.789 ( -0.993 1.592 -0.115) 1.880 1.808 ( -1.224 0.097 -1.552) 1.979 1.875 ( 0.067 2.954 1.389) 3.265 1.905 ( 0.149 0.430 1.673) 1.734 1.959 ( -1.108 -2.534 -0.144) 2.769 2.001 ( 3.072 -2.821 -3.139) 5.220 2.044 ( 0.156 1.450 -0.382) 1.507 2.067 ( 2.469 2.318 -2.531) 4.228 2.102 ( 1.250 1.944 -0.500) 2.364 2.124 ( -1.679 -1.231 -0.547) 2.152 2.148 ( -0.005 -1.974 -2.175) 2.937 2.153 ( -3.603 -2.502 -0.432) 4.408 2.167 ( 0.261 -1.650 -0.502) 1.744 2.224 ( 0.604 -2.722 -2.085) 3.481 2.285 ( 3.369 0.203 -1.033) 3.530 2.308 ( 1.499 -1.899 -1.478) 2.835 2.355 ( -1.759 0.175 -0.941) 2.003 2.381 ( -5.173 2.145 -0.951) 5.681 2.393 ( -1.973 -0.143 0.199) 1.988 2.447 ( -5.813 -1.436 1.765) 6.243 2.510 ( -1.989 1.488 -1.355) 2.830 2.574 ( 3.391 1.096 -0.846) 3.663 2.586 ( 2.057 -2.181 4.616) 5.504 2.636 ( 3.638 -2.384 3.135) 5.362 2.716 ( -0.348 1.131 -3.247) 3.456 2.766 ( 0.274 -0.115 -3.812) 3.824 2.822 ( -2.296 1.966 0.888) 3.150 2.888 ( 2.760 2.696 -6.902) 7.907 2.915 ( -0.047 -3.473 -2.578) 4.326 2.942 ( 0.492 -3.967 -4.690) 6.162 3.039 ( 3.151 2.180 0.485) 3.862 3.108 ( -0.766 -3.868 -3.840) 5.504 3.188 ( -0.365 -1.218 1.399) 1.890 3.217 ( -0.645 -1.871 2.138) 2.914 3.271 ( -2.044 0.438 1.737) 2.718 3.295 ( -0.277 -1.850 2.577) 3.184 3.379 ( -0.122 1.950 0.936) 2.166 3.410 ( -0.604 -0.790 -0.792) 1.272 3.456 ( -1.723 1.634 3.810) 4.490 3.479 ( -1.703 -0.891 2.726) 3.335 3.605 ( 0.521 1.945 2.258) 3.026 3.644 ( 1.238 -1.576 2.180) 2.961 3.898 ( -0.072 0.135 0.851) 0.865 3.919 ( 0.426 -1.799 0.365) 1.884 4.018 ( 0.602 0.278 0.725) 0.982 4.036 ( 0.102 -1.538 -0.005) 1.542 4.081 ( -2.392 -0.082 0.673) 2.486 4.093 ( -2.300 -1.183 0.186) 2.593 4.238 ( -0.498 2.809 0.339) 2.873 4.284 ( 0.132 -1.553 0.101) 1.562 4.701 ( -0.605 -0.186 0.985) 1.171 4.727 ( -0.181 -2.269 0.544) 2.341 4.836 ( 1.109 -0.971 -0.441) 1.538 4.882 ( 1.647 -4.951 -1.447) 5.415 5.517 ( 2.357 4.410 -0.527) 5.028 5.576 ( 2.044 -0.102 1.121) 2.333 5.597 ( 0.685 -3.189 -0.037) 3.262 5.621 ( 6.254 -4.727 2.122) 8.122 5.783 ( -4.307 1.351 5.025) 6.754 5.822 ( -2.904 -2.105 5.134) 6.263 6.238 ( -0.615 -0.613 -2.538) 2.683 6.274 ( -1.318 -3.833 -2.947) 5.011 6.652 ( -6.318 6.392 -3.433) 9.620 6.715 ( -2.276 0.247 3.021) 3.791 6.795 ( -0.198 7.906 0.351) 7.916 6.953 ( 3.067 -5.686 -4.792) 8.044 7.088 ( 3.510 4.195 6.118) 8.206 7.196 ( 3.854 -5.743 0.234) 6.920 7.394 ( -3.697 5.302 3.130) 7.182 7.520 ( -1.121 -5.531 2.708) 6.259 7.771 ( -1.332 11.271 -2.607) 11.645 7.939 ( -2.073 -4.513 -3.192) 5.903 8.024 ( 2.537 1.931 -3.744) 4.918 8.124 ( 0.123 -7.098 -1.940) 7.359 14.723 ( -1.725 2.380 1.804) 3.449 14.767 ( -1.956 -1.869 2.648) 3.786 14.986 ( 0.114 5.111 -3.913) 6.438 15.045 ( -1.116 1.247 -3.739) 4.097 15.135 ( -0.313 -1.303 -1.267) 1.844 15.195 ( -1.721 -4.866 -0.974) 5.253 15.349 ( -0.477 3.118 -2.250) 3.875 15.423 ( -1.129 -3.744 -3.030) 4.948 15.549 ( 5.266 4.160 6.780) 9.540 15.649 ( 5.202 -6.195 8.763) 11.926 16.206 ( -2.602 5.636 -2.059) 6.540 16.309 ( -0.464 -4.424 -2.607) 5.156 16.750 ( -0.328 1.871 0.492) 1.962 16.786 ( -0.034 -0.519 -0.172) 0.547 16.807 ( 0.472 0.106 -0.350) 0.597 16.840 ( -0.079 -2.046 -0.319) 2.072 ======================= Grid point 53 (31/52) ======================= q-point: (-0.40 0.43 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.804 ( -4.029 7.123 3.858) 9.047 0.846 ( -4.290 2.318 4.703) 6.774 0.858 ( -0.439 0.307 3.166) 3.211 0.983 ( -2.222 -5.727 5.676) 8.364 1.105 ( -1.829 1.121 -1.759) 2.774 1.117 ( 3.437 2.077 -1.706) 4.363 1.220 ( 2.824 3.985 0.059) 4.885 1.280 ( 6.113 0.988 -1.612) 6.399 1.341 ( 3.578 0.012 2.478) 4.353 1.358 ( 1.002 0.528 3.586) 3.761 1.451 ( 1.407 2.282 2.091) 3.400 1.500 ( 0.875 -0.576 1.418) 1.763 1.571 ( -0.645 5.851 -0.538) 5.911 1.601 ( 1.240 2.252 1.967) 3.237 1.638 ( 1.181 0.648 0.334) 1.388 1.667 ( -0.204 0.077 0.238) 0.322 1.675 ( -1.951 0.903 -3.398) 4.020 1.721 ( -3.843 3.160 -1.922) 5.333 1.751 ( -0.215 -0.349 0.892) 0.982 1.785 ( 0.331 0.965 0.861) 1.335 1.866 ( -0.812 3.309 -4.052) 5.294 1.904 ( -0.236 -1.188 1.310) 1.784 1.948 ( -0.138 -1.245 0.698) 1.434 1.991 ( -1.325 -5.057 -3.007) 6.031 2.012 ( -1.669 2.157 -4.992) 5.688 2.040 ( -3.816 0.927 -2.558) 4.687 2.073 ( 0.057 0.708 -0.014) 0.711 2.097 ( -1.794 -3.738 -0.570) 4.185 2.144 ( -0.995 0.238 1.143) 1.534 2.158 ( 0.857 0.237 -0.656) 1.104 2.171 ( 0.657 -2.330 -0.545) 2.481 2.209 ( -1.682 -2.745 0.862) 3.333 2.246 ( -2.851 2.371 -4.263) 5.650 2.305 ( -2.334 0.076 -0.108) 2.337 2.351 ( -0.605 -2.494 0.659) 2.650 2.354 ( 0.404 -0.656 -1.085) 1.331 2.377 ( 2.394 -3.788 -2.984) 5.384 2.386 ( 3.781 -0.358 -1.235) 3.994 2.489 ( -0.419 5.827 0.396) 5.855 2.605 ( 1.266 -3.005 0.027) 3.261 2.668 ( 2.298 -0.747 -3.441) 4.205 2.676 ( 2.109 -1.402 1.980) 3.214 2.729 ( 1.764 2.033 0.416) 2.723 2.777 ( 1.771 -1.304 1.403) 2.609 2.799 ( 0.696 -0.037 -1.738) 1.872 2.872 ( -0.540 -4.576 -4.104) 6.170 2.915 ( 3.307 2.534 -4.021) 5.790 2.954 ( 3.083 -0.315 -3.255) 4.495 3.058 ( -0.911 1.191 -2.486) 2.903 3.106 ( 2.274 0.504 1.908) 3.010 3.187 ( -2.138 -3.342 2.005) 4.445 3.209 ( -0.443 -2.973 0.624) 3.070 3.263 ( -0.256 1.650 -0.310) 1.698 3.303 ( -0.131 -2.038 0.323) 2.068 3.385 ( 0.803 0.567 -0.197) 1.003 3.394 ( 0.028 -0.084 -2.000) 2.002 3.451 ( -2.216 1.230 6.664) 7.129 3.478 ( -1.329 -0.923 5.115) 5.365 3.628 ( 0.171 2.777 2.294) 3.606 3.668 ( -0.317 -1.019 1.917) 2.194 3.908 ( 0.193 0.397 1.134) 1.217 3.934 ( 0.484 -2.093 0.513) 2.209 4.029 ( -1.225 1.188 -0.156) 1.714 4.040 ( 1.121 0.501 1.065) 1.625 4.057 ( 0.427 -0.950 0.238) 1.068 4.081 ( 0.902 -3.185 -0.119) 3.313 4.219 ( -1.430 2.123 -0.054) 2.560 4.265 ( -1.800 -2.138 -0.460) 2.832 4.709 ( 0.539 -0.093 1.214) 1.332 4.737 ( 0.724 -2.318 0.791) 2.554 4.840 ( -0.410 -1.210 -0.295) 1.311 4.880 ( -0.595 -4.546 -1.555) 4.841 5.495 ( -3.630 2.026 0.291) 4.167 5.549 ( -5.121 -3.632 1.013) 6.359 5.634 ( 2.645 3.219 -0.900) 4.262 5.731 ( 2.534 -5.786 -0.452) 6.333 5.772 ( -1.838 2.588 8.198) 8.791 5.817 ( -2.515 -2.285 8.285) 8.955 6.202 ( -0.535 0.157 -5.978) 6.004 6.213 ( -0.306 -1.259 -4.416) 4.602 6.543 ( -3.485 4.217 -0.406) 5.486 6.648 ( -4.825 -5.366 0.946) 7.278 6.778 ( 0.439 9.348 -3.391) 9.954 6.996 ( 4.768 -10.676 -4.377) 12.484 7.282 ( 9.195 4.871 11.903) 15.810 7.361 ( 9.846 -3.257 6.026) 11.994 7.403 ( 1.213 8.160 4.890) 9.590 7.519 ( -0.119 -2.289 2.284) 3.236 7.698 ( -3.286 10.064 -6.259) 12.299 7.854 ( -3.171 -4.694 -8.778) 10.447 8.032 ( 0.728 -0.937 -2.147) 2.453 8.071 ( -3.568 -4.599 -3.571) 6.829 14.709 ( -0.790 2.305 1.391) 2.806 14.753 ( -1.176 -1.818 2.032) 2.970 14.971 ( 1.659 3.828 -4.524) 6.154 15.016 ( 0.698 0.203 -3.388) 3.465 15.124 ( -0.113 -0.063 -0.558) 0.573 15.163 ( -0.878 -3.008 -1.023) 3.297 15.342 ( 0.418 1.563 -0.834) 1.820 15.389 ( 0.371 -3.061 -2.701) 4.099 15.724 ( 5.893 3.188 11.170) 13.025 15.807 ( 4.181 -5.054 11.588) 13.315 16.110 ( -4.486 6.967 -6.473) 10.515 16.242 ( -3.520 -5.982 -6.162) 9.282 16.749 ( -0.242 2.127 0.447) 2.187 16.784 ( 0.082 -0.127 -0.370) 0.400 16.810 ( -0.064 -0.948 -0.034) 0.951 16.828 ( -0.579 -1.468 -0.657) 1.709 ======================= Grid point 54 (32/52) ======================= q-point: (-0.20 0.43 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.741 ( -4.496 6.488 3.394) 8.592 0.791 ( -5.010 6.919 3.280) 9.150 0.865 ( -1.825 -2.260 5.044) 5.821 0.968 ( -3.022 -4.911 3.986) 7.009 1.119 ( 4.250 2.169 -1.502) 5.002 1.173 ( 4.243 -0.767 -2.090) 4.791 1.268 ( 1.513 4.028 -0.198) 4.307 1.331 ( -2.421 1.828 0.584) 3.089 1.359 ( 1.130 1.611 -1.258) 2.336 1.429 ( 0.801 -0.299 4.113) 4.201 1.460 ( -1.186 3.863 -3.835) 5.571 1.522 ( 0.902 -0.888 1.911) 2.292 1.534 ( -1.040 4.158 -1.758) 4.632 1.598 ( -0.078 1.437 -0.755) 1.626 1.610 ( -2.215 1.052 -2.234) 3.318 1.626 ( 1.008 -0.021 -2.389) 2.593 1.687 ( 1.430 2.455 -1.822) 3.376 1.701 ( 0.062 2.576 3.046) 3.990 1.747 ( -3.262 2.092 -1.925) 4.326 1.791 ( 0.828 -0.123 -1.436) 1.662 1.856 ( 1.236 -1.969 0.349) 2.351 1.890 ( -2.727 0.093 0.471) 2.769 1.915 ( -2.518 -0.278 -2.689) 3.695 1.930 ( -1.761 -1.019 1.973) 2.835 1.981 ( 0.367 3.341 -0.105) 3.363 2.014 ( -1.318 1.195 -1.057) 2.069 2.045 ( 1.260 -1.890 -1.126) 2.536 2.073 ( -0.780 -3.194 -0.421) 3.314 2.120 ( -0.800 3.541 -0.662) 3.690 2.124 ( -1.238 -0.398 4.019) 4.224 2.184 ( 0.132 -4.310 0.103) 4.313 2.206 ( 0.801 -1.218 -0.019) 1.458 2.230 ( 1.130 0.544 -0.776) 1.474 2.274 ( -1.305 -1.206 1.801) 2.530 2.354 ( 1.157 -2.050 1.325) 2.701 2.374 ( 0.700 -1.846 -0.493) 2.035 2.429 ( 3.016 -1.289 -2.373) 4.048 2.447 ( 4.362 -1.445 -1.403) 4.804 2.498 ( 1.968 4.368 -1.580) 5.045 2.602 ( -1.903 -4.035 -0.011) 4.461 2.658 ( -0.008 -0.256 -3.463) 3.473 2.705 ( 0.446 -3.713 -3.557) 5.161 2.783 ( 3.808 0.942 0.673) 3.980 2.813 ( 1.672 -1.739 -0.994) 2.609 2.821 ( 1.807 -1.066 1.781) 2.752 2.858 ( 2.071 -2.373 -5.150) 6.037 2.948 ( 2.489 3.336 -3.443) 5.402 2.991 ( 2.672 -0.838 -2.342) 3.650 3.046 ( 0.076 3.326 0.702) 3.400 3.118 ( -1.966 -3.043 0.966) 3.749 3.159 ( -3.668 1.423 -1.305) 4.145 3.178 ( -0.226 -0.387 1.961) 2.012 3.272 ( 0.386 0.100 0.377) 0.549 3.293 ( -0.671 -1.381 0.726) 1.698 3.380 ( -0.206 0.799 -1.080) 1.359 3.413 ( 0.758 -2.325 2.641) 3.599 3.469 ( -0.895 0.538 5.822) 5.915 3.494 ( 0.156 -1.654 2.529) 3.026 3.636 ( -0.578 2.329 0.793) 2.527 3.656 ( -1.566 0.404 -0.053) 1.619 3.911 ( -0.291 1.630 -0.022) 1.656 3.942 ( 0.470 -1.412 -0.239) 1.507 4.014 ( -0.318 2.497 0.488) 2.564 4.069 ( 0.716 -2.000 -0.734) 2.247 4.089 ( 2.629 0.083 2.507) 3.634 4.106 ( 1.489 -2.248 0.205) 2.704 4.194 ( -1.743 0.570 0.666) 1.951 4.230 ( -1.847 -2.608 1.187) 3.409 4.726 ( 0.391 -0.225 0.704) 0.836 4.753 ( 0.353 -2.238 0.250) 2.279 4.824 ( -0.866 -1.207 -0.487) 1.563 4.856 ( -0.769 -3.639 -1.135) 3.888 5.437 ( -2.230 0.656 0.002) 2.324 5.467 ( -3.606 -2.437 0.205) 4.357 5.613 ( -3.705 2.330 -1.727) 4.705 5.654 ( -6.921 -1.410 -0.832) 7.112 5.823 ( -0.122 1.023 7.707) 7.776 5.857 ( -0.064 -2.609 7.961) 8.378 6.193 ( 2.737 0.191 -2.966) 4.040 6.203 ( 1.437 -1.123 -2.697) 3.255 6.521 ( 0.126 1.891 2.150) 2.866 6.604 ( -1.549 -5.827 4.128) 7.308 6.777 ( 1.489 11.609 -2.738) 12.021 7.048 ( 3.680 -14.148 -4.794) 15.385 7.437 ( 1.217 6.818 1.717) 7.136 7.459 ( 0.335 6.142 0.312) 6.159 7.557 ( 1.652 5.267 0.552) 5.548 7.573 ( 5.291 -0.109 3.194) 6.181 7.653 ( 4.530 -0.334 2.303) 5.092 7.723 ( -0.820 -2.651 -8.490) 8.932 7.967 ( -4.851 0.630 -2.294) 5.403 8.033 ( 0.103 -4.945 -0.443) 4.965 14.714 ( -0.005 2.212 2.043) 3.011 14.754 ( -0.454 -1.615 2.560) 3.061 14.985 ( 2.684 3.196 -3.864) 5.687 15.031 ( 2.714 -1.025 -1.112) 3.107 15.128 ( 0.448 0.322 0.988) 1.131 15.150 ( -0.138 -1.653 -0.309) 1.687 15.342 ( 0.244 1.941 -0.725) 2.086 15.403 ( 2.335 -3.900 -2.034) 4.980 15.814 ( -3.601 2.875 -0.793) 4.676 15.892 ( -3.160 -4.596 2.189) 5.991 16.040 ( 2.827 6.157 1.465) 6.932 16.150 ( -1.221 -4.797 -0.981) 5.046 16.748 ( -0.132 2.027 0.593) 2.116 16.785 ( 0.282 -0.536 -0.165) 0.628 16.803 ( -0.403 -0.671 -0.184) 0.804 16.818 ( -0.378 -1.265 -0.105) 1.324 ======================= Grid point 70 (33/52) ======================= q-point: ( 0.00 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 52 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.418 ( -4.311 0.000 15.605) 16.190 0.579 ( -1.506 0.000 13.023) 13.110 0.711 ( 2.676 0.000 -12.922) 13.196 0.726 ( -4.209 0.000 7.449) 8.556 0.838 ( 4.121 0.000 7.398) 8.468 0.852 ( 3.425 0.000 -9.714) 10.300 1.060 ( 1.811 0.000 -0.593) 1.906 1.067 ( 1.604 0.000 1.569) 2.244 1.166 ( 1.883 0.000 2.587) 3.200 1.242 ( 3.229 0.000 1.365) 3.506 1.273 ( -3.244 0.000 0.712) 3.321 1.307 ( 0.997 0.000 -6.622) 6.697 1.435 ( -6.138 0.000 3.826) 7.233 1.488 ( 0.700 0.000 1.595) 1.742 1.580 ( 1.205 0.000 -2.497) 2.773 1.603 ( 1.250 0.000 2.107) 2.450 1.666 ( 5.745 0.000 -1.673) 5.984 1.704 ( -4.582 0.000 5.805) 7.395 1.740 ( -2.298 0.000 -1.946) 3.011 1.805 ( 1.333 0.000 -4.334) 4.534 1.827 ( -0.860 0.000 0.720) 1.121 1.873 ( 0.677 0.000 3.376) 3.444 1.887 ( 1.432 0.000 -3.853) 4.111 1.935 ( -0.221 0.000 -3.533) 3.540 1.972 ( -2.639 0.000 -0.702) 2.730 1.977 ( -0.961 0.000 -0.988) 1.378 2.095 ( -2.811 0.000 3.952) 4.850 2.117 ( 1.058 0.000 1.138) 1.554 2.132 ( -0.454 0.000 -1.422) 1.493 2.203 ( 5.318 0.000 -6.897) 8.709 2.228 ( -1.658 0.000 4.830) 5.107 2.336 ( -0.795 0.000 0.354) 0.870 2.347 ( 1.536 0.000 0.492) 1.613 2.367 ( -1.524 0.000 -6.707) 6.878 2.399 ( -7.406 0.000 5.587) 9.277 2.460 ( 8.072 0.000 -3.431) 8.771 2.486 ( 2.570 0.000 0.306) 2.588 2.540 ( -6.290 0.000 0.949) 6.361 2.564 ( 0.279 0.000 5.103) 5.110 2.592 ( -1.338 0.000 -3.997) 4.215 2.681 ( 3.919 0.000 -6.924) 7.957 2.691 ( 0.951 0.000 -6.047) 6.121 2.701 ( 3.273 0.000 2.491) 4.113 2.795 ( 0.053 0.000 -3.222) 3.222 2.901 ( -2.754 0.000 3.512) 4.463 2.949 ( -3.087 0.000 -1.830) 3.589 3.015 ( -0.015 0.000 1.368) 1.368 3.081 ( 0.641 0.000 -2.577) 2.656 3.170 ( 0.525 0.000 -0.316) 0.613 3.171 ( -2.262 0.000 0.505) 2.318 3.212 ( -1.302 0.000 5.143) 5.305 3.300 ( 4.873 0.000 5.039) 7.010 3.321 ( 2.834 0.000 -4.616) 5.417 3.369 ( -1.165 0.000 2.635) 2.881 3.381 ( -0.892 0.000 -0.062) 0.894 3.419 ( 0.598 0.000 -0.226) 0.639 3.421 ( -3.814 0.000 1.199) 3.998 3.452 ( 3.392 0.000 -0.347) 3.410 3.598 ( 1.343 0.000 4.150) 4.362 3.651 ( -0.281 0.000 -1.533) 1.559 3.935 ( -0.898 0.000 1.676) 1.901 3.963 ( 2.264 0.000 -0.946) 2.453 4.045 ( -2.423 0.000 2.096) 3.204 4.086 ( 1.295 0.000 -2.035) 2.412 4.179 ( -2.145 0.000 2.485) 3.283 4.236 ( 0.318 0.000 -3.209) 3.225 4.242 ( 0.748 0.000 0.602) 0.961 4.262 ( -0.820 0.000 -1.639) 1.833 4.866 ( -1.327 0.000 2.667) 2.979 4.922 ( 0.997 0.000 -2.845) 3.015 4.950 ( 3.436 0.000 2.176) 4.067 4.985 ( -4.407 0.000 -1.670) 4.713 5.463 ( -5.571 0.000 2.798) 6.234 5.516 ( 5.325 0.000 -2.589) 5.921 5.649 ( -4.477 0.000 4.209) 6.145 5.695 ( 4.894 0.000 -1.113) 5.018 5.995 ( 0.222 0.000 6.012) 6.016 6.076 ( -9.206 0.000 8.128) 12.281 6.100 ( -1.960 0.000 -4.979) 5.351 6.276 ( 2.798 0.000 -12.432) 12.743 6.623 ( 1.147 0.000 5.558) 5.675 6.733 ( -1.546 0.000 -5.948) 6.145 6.822 ( -3.515 0.000 5.294) 6.355 6.882 ( -0.781 0.000 -1.128) 1.372 7.014 ( 1.651 0.000 4.370) 4.672 7.045 ( -0.907 0.000 1.076) 1.407 7.238 ( -4.394 0.000 2.773) 5.196 7.362 ( 4.491 0.000 -9.599) 10.598 7.830 ( 5.686 0.000 2.199) 6.097 7.873 ( -4.713 0.000 -2.332) 5.259 8.166 ( 10.048 0.000 0.231) 10.051 8.173 ( -3.630 0.000 -0.464) 3.660 14.645 ( -0.368 0.000 0.711) 0.801 14.659 ( 0.856 0.000 -0.790) 1.165 14.905 ( -6.619 0.000 4.321) 7.905 14.993 ( 5.972 0.000 -4.561) 7.515 15.213 ( 2.719 0.000 0.808) 2.837 15.216 ( -3.724 0.000 1.143) 3.896 15.347 ( 3.704 0.000 4.077) 5.508 15.456 ( -1.027 0.000 -5.769) 5.859 15.836 ( 12.077 0.000 0.580) 12.091 15.850 ( -11.151 0.000 -0.114) 11.152 16.111 ( 4.498 0.000 3.805) 5.892 16.196 ( -6.673 0.000 -4.673) 8.147 16.779 ( 1.077 0.000 0.691) 1.280 16.788 ( -1.503 0.000 -0.286) 1.530 16.849 ( 2.470 0.000 0.621) 2.547 16.862 ( -1.720 0.000 -0.753) 1.878 ======================= Grid point 71 (34/52) ======================= q-point: ( 0.20 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 52 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.485 ( 0.106 0.000 12.920) 12.920 0.692 ( 3.716 0.000 12.279) 12.829 0.713 ( -2.392 0.000 5.516) 6.012 0.716 ( 7.376 0.000 -13.161) 15.087 0.876 ( 4.539 0.000 -8.682) 9.797 0.897 ( 0.150 0.000 -6.785) 6.786 1.054 ( -2.926 0.000 -2.745) 4.012 1.098 ( 3.410 0.000 -2.348) 4.140 1.177 ( 0.960 0.000 0.766) 1.228 1.233 ( -0.238 0.000 -9.517) 9.520 1.272 ( 0.850 0.000 -1.315) 1.566 1.275 ( -0.953 0.000 3.875) 3.990 1.412 ( 2.037 0.000 9.923) 10.130 1.578 ( 2.299 0.000 -2.229) 3.202 1.601 ( 1.878 0.000 -3.299) 3.796 1.658 ( -3.186 0.000 0.465) 3.219 1.672 ( 1.815 0.000 4.185) 4.562 1.677 ( -0.906 0.000 5.036) 5.117 1.743 ( 4.361 0.000 -5.455) 6.984 1.806 ( 1.125 0.000 -2.260) 2.524 1.812 ( -1.456 0.000 2.221) 2.655 1.851 ( -0.972 0.000 -3.267) 3.409 1.869 ( -3.210 0.000 -0.575) 3.261 1.908 ( 1.037 0.000 4.280) 4.404 1.972 ( 0.804 0.000 -1.341) 1.564 1.983 ( 1.482 0.000 0.961) 1.766 2.070 ( -1.827 0.000 2.415) 3.028 2.134 ( -0.131 0.000 -3.454) 3.456 2.140 ( -0.366 0.000 1.283) 1.334 2.191 ( -3.653 0.000 1.787) 4.067 2.206 ( -5.769 0.000 7.113) 9.159 2.251 ( -4.088 0.000 -5.081) 6.521 2.292 ( -2.735 0.000 0.587) 2.797 2.349 ( 4.070 0.000 -8.997) 9.875 2.374 ( -1.028 0.000 2.556) 2.755 2.420 ( -2.494 0.000 -0.261) 2.508 2.551 ( -2.860 0.000 1.574) 3.264 2.570 ( 1.346 0.000 7.588) 7.706 2.581 ( 1.228 0.000 -2.158) 2.483 2.602 ( 6.075 0.000 -0.008) 6.075 2.610 ( -3.434 0.000 -6.027) 6.936 2.683 ( 2.605 0.000 -1.526) 3.019 2.789 ( 3.070 0.000 -5.147) 5.994 2.820 ( 2.239 0.000 -1.533) 2.714 2.895 ( -2.364 0.000 4.601) 5.173 2.915 ( 2.573 0.000 3.961) 4.723 3.023 ( -1.417 0.000 3.058) 3.371 3.051 ( -1.524 0.000 -5.131) 5.352 3.151 ( -1.119 0.000 1.524) 1.891 3.192 ( 1.464 0.000 1.052) 1.802 3.240 ( 1.354 0.000 3.830) 4.063 3.270 ( -6.061 0.000 -7.044) 9.292 3.335 ( -0.025 0.000 -0.364) 0.364 3.377 ( 0.921 0.000 0.087) 0.925 3.379 ( 1.550 0.000 2.482) 2.926 3.414 ( -0.108 0.000 -3.356) 3.358 3.414 ( 0.819 0.000 1.053) 1.334 3.510 ( 2.576 0.000 -1.199) 2.841 3.599 ( -3.668 0.000 -1.840) 4.104 3.622 ( -0.989 0.000 1.589) 1.871 3.952 ( 1.846 0.000 -0.023) 1.846 3.996 ( 1.577 0.000 -1.558) 2.217 4.030 ( 0.090 0.000 2.067) 2.069 4.099 ( 1.601 0.000 -0.324) 1.634 4.181 ( -0.349 0.000 4.468) 4.481 4.215 ( -2.388 0.000 -0.334) 2.412 4.245 ( -1.023 0.000 1.434) 1.762 4.252 ( 2.049 0.000 -2.278) 3.064 4.867 ( -0.845 0.000 2.882) 3.003 4.911 ( -1.669 0.000 -0.610) 1.777 4.932 ( 1.768 0.000 -2.155) 2.787 5.017 ( 1.843 0.000 1.536) 2.400 5.409 ( -1.857 0.000 2.821) 3.377 5.594 ( 4.010 0.000 -3.634) 5.412 5.623 ( 0.195 0.000 1.947) 1.956 5.776 ( 4.367 0.000 -3.021) 5.310 6.016 ( -3.416 0.000 11.496) 11.993 6.034 ( -1.172 0.000 -5.187) 5.318 6.126 ( 3.376 0.000 7.421) 8.153 6.319 ( 7.575 0.000 -1.666) 7.756 6.676 ( 0.177 0.000 7.239) 7.241 6.687 ( 1.704 0.000 -5.875) 6.118 6.814 ( -1.393 0.000 7.514) 7.642 6.882 ( 0.750 0.000 1.420) 1.606 7.043 ( 1.260 0.000 -3.035) 3.286 7.090 ( 1.341 0.000 6.720) 6.852 7.144 ( -6.262 0.000 1.174) 6.371 7.327 ( -1.987 0.000 -6.855) 7.137 7.781 ( -3.505 0.000 -4.117) 5.407 7.960 ( 6.687 0.000 1.774) 6.918 8.064 ( -5.746 0.000 -6.230) 8.475 8.248 ( 1.641 0.000 -3.567) 3.927 14.634 ( -1.090 0.000 0.322) 1.137 14.661 ( 0.081 0.000 -1.249) 1.252 14.861 ( -2.053 0.000 4.810) 5.230 15.081 ( 5.578 0.000 -4.524) 7.182 15.146 ( -3.389 0.000 0.152) 3.393 15.258 ( 1.238 0.000 1.895) 2.263 15.343 ( -4.255 0.000 -6.771) 7.997 15.421 ( 0.314 0.000 1.277) 1.315 15.682 ( -5.369 0.000 1.617) 5.607 16.036 ( -1.700 0.000 1.974) 2.605 16.093 ( 8.206 0.000 -6.077) 10.211 16.207 ( 2.166 0.000 5.796) 6.187 16.761 ( -1.271 0.000 -0.330) 1.313 16.785 ( -1.459 0.000 0.412) 1.516 16.842 ( 0.917 0.000 -0.744) 1.181 16.881 ( 0.610 0.000 0.745) 0.963 ======================= Grid point 72 (35/52) ======================= q-point: ( 0.40 0.00 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 52 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.566 ( 0.568 0.000 8.917) 8.935 0.683 ( -9.526 0.000 0.825) 9.562 0.697 ( -4.246 0.000 6.637) 7.879 0.806 ( 9.548 0.000 -9.383) 13.387 0.878 ( 4.081 0.000 -10.251) 11.034 0.916 ( 3.990 0.000 -0.802) 4.070 0.970 ( -1.155 0.000 -1.876) 2.203 1.111 ( -0.995 0.000 -3.486) 3.625 1.201 ( -6.516 0.000 3.364) 7.333 1.210 ( 2.825 0.000 -6.588) 7.169 1.272 ( 1.749 0.000 3.226) 3.670 1.318 ( 10.519 0.000 -5.470) 11.856 1.496 ( -2.815 0.000 -3.855) 4.774 1.502 ( -6.700 0.000 1.404) 6.845 1.620 ( -1.163 0.000 1.910) 2.236 1.620 ( -6.481 0.000 7.562) 9.959 1.636 ( 1.315 0.000 -0.776) 1.527 1.728 ( 0.613 0.000 3.709) 3.759 1.763 ( 2.429 0.000 -4.841) 5.416 1.796 ( -0.637 0.000 -3.057) 3.122 1.824 ( 0.432 0.000 2.883) 2.915 1.837 ( 1.982 0.000 1.181) 2.308 1.895 ( 4.948 0.000 -3.564) 6.098 1.932 ( -3.154 0.000 4.200) 5.252 1.997 ( 2.376 0.000 -1.227) 2.675 2.014 ( 1.471 0.000 0.081) 1.473 2.057 ( -2.296 0.000 3.846) 4.479 2.072 ( -1.601 0.000 0.991) 1.883 2.097 ( -1.060 0.000 -1.892) 2.168 2.163 ( 1.720 0.000 -4.559) 4.873 2.166 ( -3.377 0.000 5.024) 6.053 2.205 ( 0.528 0.000 -2.320) 2.379 2.307 ( 1.315 0.000 1.153) 1.749 2.349 ( -1.677 0.000 2.969) 3.409 2.372 ( 2.974 0.000 -6.723) 7.351 2.421 ( 1.110 0.000 1.333) 1.735 2.508 ( -2.524 0.000 -4.208) 4.907 2.534 ( 0.735 0.000 -0.192) 0.760 2.594 ( 1.310 0.000 1.143) 1.738 2.600 ( -3.998 0.000 6.401) 7.547 2.706 ( -1.013 0.000 3.751) 3.886 2.707 ( 4.672 0.000 -0.369) 4.687 2.800 ( 0.957 0.000 -3.028) 3.176 2.851 ( 4.113 0.000 -3.203) 5.213 2.898 ( 0.218 0.000 3.618) 3.624 2.960 ( -1.889 0.000 -5.132) 5.469 2.994 ( -3.006 0.000 0.057) 3.006 3.027 ( 2.248 0.000 4.442) 4.978 3.108 ( -4.405 0.000 -7.143) 8.392 3.141 ( -0.864 0.000 0.508) 1.002 3.231 ( 1.917 0.000 0.167) 1.924 3.285 ( -0.253 0.000 2.093) 2.109 3.336 ( -1.319 0.000 4.658) 4.841 3.373 ( -0.109 0.000 -3.647) 3.648 3.390 ( 1.157 0.000 -1.952) 2.269 3.407 ( -0.026 0.000 1.212) 1.212 3.455 ( 2.725 0.000 0.436) 2.760 3.518 ( 0.193 0.000 -2.361) 2.369 3.529 ( -2.849 0.000 -0.220) 2.857 3.584 ( -3.074 0.000 -1.261) 3.322 3.985 ( -1.350 0.000 0.396) 1.407 3.987 ( 2.237 0.000 -1.558) 2.726 4.090 ( 4.109 0.000 0.880) 4.202 4.143 ( 2.534 0.000 1.058) 2.746 4.160 ( -3.371 0.000 0.472) 3.404 4.190 ( -1.868 0.000 1.869) 2.642 4.237 ( -1.572 0.000 3.986) 4.285 4.283 ( 2.496 0.000 -1.857) 3.111 4.870 ( -0.908 0.000 2.575) 2.730 4.904 ( 0.966 0.000 -1.008) 1.397 4.969 ( 3.250 0.000 -0.776) 3.342 5.024 ( -1.619 0.000 -0.099) 1.622 5.427 ( 1.272 0.000 2.955) 3.217 5.576 ( -1.455 0.000 -6.195) 6.364 5.667 ( 2.616 0.000 1.909) 3.238 5.799 ( 0.107 0.000 -4.567) 4.569 5.992 ( -6.848 0.000 9.048) 11.348 6.025 ( 4.614 0.000 -4.106) 6.176 6.247 ( 5.262 0.000 5.562) 7.656 6.398 ( -0.419 0.000 -0.168) 0.451 6.727 ( -0.721 0.000 8.776) 8.806 6.776 ( 9.207 0.000 1.322) 9.302 6.883 ( 1.946 0.000 11.175) 11.343 6.922 ( 2.812 0.000 -1.215) 3.063 6.992 ( -9.250 0.000 3.380) 9.848 7.053 ( 2.877 0.000 -2.910) 4.092 7.195 ( 4.865 0.000 0.452) 4.886 7.217 ( -5.747 0.000 -4.203) 7.120 7.690 ( -4.064 0.000 -2.526) 4.785 7.902 ( -4.566 0.000 -11.159) 12.057 8.084 ( 5.453 0.000 1.082) 5.559 8.211 ( -2.871 0.000 -3.208) 4.305 14.621 ( -0.510 0.000 0.506) 0.719 14.650 ( -0.107 0.000 -1.672) 1.675 14.884 ( 1.159 0.000 4.573) 4.717 15.038 ( -4.138 0.000 -2.477) 4.823 15.156 ( 1.740 0.000 -2.688) 3.202 15.229 ( -2.579 0.000 -4.973) 5.602 15.294 ( -0.879 0.000 3.392) 3.504 15.399 ( 1.076 0.000 -5.222) 5.332 15.700 ( 1.548 0.000 8.531) 8.670 15.935 ( -4.613 0.000 -3.677) 5.900 16.249 ( -2.013 0.000 5.466) 5.825 16.255 ( 8.933 0.000 -3.113) 9.460 16.742 ( -0.538 0.000 -0.078) 0.544 16.754 ( -1.279 0.000 -0.325) 1.319 16.870 ( 1.731 0.000 0.163) 1.739 16.885 ( -0.773 0.000 1.048) 1.302 ======================= Grid point 73 (36/52) ======================= q-point: (-0.40 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 52 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.525 ( -9.128 0.000 8.865) 12.724 0.583 ( -8.239 0.000 9.351) 12.463 0.678 ( 0.093 0.000 6.983) 6.983 0.845 ( -1.554 0.000 -9.726) 9.849 0.910 ( 7.094 0.000 -8.834) 11.330 0.923 ( 7.494 0.000 -8.809) 11.565 1.042 ( -4.655 0.000 -2.656) 5.360 1.045 ( 1.779 0.000 3.692) 4.098 1.093 ( -4.873 0.000 3.820) 6.192 1.196 ( -10.050 0.000 6.694) 12.075 1.245 ( -6.134 0.000 -0.671) 6.171 1.366 ( -2.504 0.000 -4.723) 5.346 1.397 ( 6.473 0.000 2.959) 7.117 1.536 ( 8.782 0.000 -3.355) 9.401 1.580 ( -4.094 0.000 4.757) 6.276 1.642 ( -3.469 0.000 6.539) 7.402 1.665 ( 1.651 0.000 4.724) 5.004 1.696 ( -2.117 0.000 -6.474) 6.811 1.744 ( 1.748 0.000 0.110) 1.752 1.846 ( -0.151 0.000 0.549) 0.569 1.854 ( 2.879 0.000 -5.316) 6.046 1.861 ( -5.978 0.000 2.508) 6.483 1.873 ( 1.337 0.000 -3.123) 3.397 1.918 ( 2.115 0.000 1.343) 2.505 1.986 ( -1.382 0.000 0.833) 1.613 2.037 ( 2.060 0.000 -0.144) 2.065 2.062 ( 2.368 0.000 2.570) 3.495 2.095 ( 2.696 0.000 -7.677) 8.137 2.134 ( -3.363 0.000 4.712) 5.789 2.150 ( 4.328 0.000 -1.905) 4.729 2.175 ( 0.629 0.000 -4.416) 4.461 2.235 ( 6.791 0.000 -0.027) 6.791 2.289 ( -1.728 0.000 0.490) 1.796 2.345 ( -1.570 0.000 -2.857) 3.260 2.407 ( 3.768 0.000 2.948) 4.784 2.445 ( 0.552 0.000 -6.659) 6.681 2.485 ( 1.671 0.000 3.538) 3.913 2.518 ( -2.976 0.000 -0.621) 3.040 2.540 ( -4.800 0.000 0.609) 4.839 2.651 ( 2.895 0.000 3.697) 4.696 2.708 ( -2.756 0.000 5.333) 6.003 2.763 ( 1.454 0.000 -2.355) 2.768 2.802 ( 0.564 0.000 -0.782) 0.964 2.821 ( -0.712 0.000 -8.292) 8.323 2.932 ( -2.037 0.000 -2.229) 3.020 2.951 ( 2.956 0.000 6.850) 7.461 2.966 ( 1.036 0.000 -2.799) 2.985 3.011 ( 2.820 0.000 -2.636) 3.860 3.118 ( -1.563 0.000 -1.950) 2.499 3.126 ( 2.579 0.000 3.522) 4.365 3.244 ( -2.476 0.000 -2.073) 3.229 3.268 ( 1.724 0.000 1.699) 2.420 3.344 ( -1.566 0.000 3.897) 4.200 3.353 ( -3.240 0.000 0.869) 3.355 3.397 ( 0.485 0.000 -0.241) 0.541 3.402 ( 0.173 0.000 -1.114) 1.127 3.475 ( -2.683 0.000 -1.187) 2.934 3.487 ( -0.428 0.000 0.551) 0.697 3.525 ( -1.079 0.000 -0.771) 1.326 3.545 ( 3.138 0.000 2.162) 3.811 3.959 ( -2.069 0.000 1.171) 2.378 3.999 ( -0.244 0.000 -0.887) 0.920 4.096 ( -3.043 0.000 0.309) 3.058 4.146 ( -2.553 0.000 0.335) 2.575 4.166 ( 2.823 0.000 0.437) 2.856 4.209 ( 3.675 0.000 -0.358) 3.692 4.230 ( -2.263 0.000 3.670) 4.312 4.302 ( 0.957 0.000 -2.418) 2.600 4.869 ( -0.806 0.000 2.206) 2.348 4.917 ( 1.499 0.000 -2.164) 2.632 4.969 ( -3.745 0.000 -0.621) 3.796 5.023 ( 2.510 0.000 -0.022) 2.510 5.479 ( 1.853 0.000 3.699) 4.137 5.506 ( -1.382 0.000 -5.274) 5.452 5.708 ( -1.489 0.000 4.574) 4.810 5.729 ( -3.400 0.000 -4.204) 5.407 5.926 ( -4.567 0.000 6.063) 7.591 6.114 ( 6.357 0.000 -3.639) 7.325 6.352 ( -0.912 0.000 -5.809) 5.880 6.375 ( 5.582 0.000 2.394) 6.074 6.733 ( -6.323 0.000 5.892) 8.643 6.871 ( -0.539 0.000 -3.861) 3.898 6.871 ( -4.111 0.000 1.561) 4.397 6.978 ( 2.810 0.000 3.937) 4.837 7.000 ( 1.780 0.000 6.950) 7.175 7.069 ( -3.420 0.000 -5.587) 6.551 7.154 ( 6.629 0.000 -1.031) 6.708 7.257 ( 3.587 0.000 -7.053) 7.912 7.653 ( -0.193 0.000 11.580) 11.582 7.780 ( -1.041 0.000 -9.151) 9.210 8.113 ( -5.877 0.000 -2.134) 6.252 8.167 ( 2.795 0.000 1.523) 3.183 14.623 ( 0.214 0.000 0.958) 0.982 14.641 ( 0.426 0.000 -1.538) 1.596 14.964 ( -1.330 0.000 -3.828) 4.053 14.970 ( 5.190 0.000 5.027) 7.226 15.154 ( -3.559 0.000 -2.789) 4.522 15.164 ( 0.582 0.000 1.399) 1.516 15.293 ( -1.706 0.000 5.228) 5.499 15.381 ( 0.058 0.000 -5.433) 5.434 15.814 ( 4.405 0.000 8.701) 9.752 15.840 ( -2.568 0.000 -5.738) 6.286 16.203 ( -6.004 0.000 2.680) 6.575 16.352 ( 4.649 0.000 -5.216) 6.987 16.743 ( 0.134 0.000 -0.094) 0.163 16.745 ( 0.824 0.000 0.614) 1.028 16.867 ( -1.918 0.000 0.670) 2.032 16.893 ( 0.579 0.000 0.101) 0.588 ======================= Grid point 74 (37/52) ======================= q-point: (-0.20 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 52 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.462 ( -10.638 0.000 12.104) 16.115 0.518 ( -1.439 0.000 14.554) 14.625 0.735 ( -1.747 0.000 9.187) 9.352 0.766 ( 0.097 0.000 -9.083) 9.083 0.849 ( -11.368 0.000 5.252) 12.522 0.908 ( -2.133 0.000 -9.206) 9.450 1.017 ( 2.154 0.000 1.788) 2.800 1.029 ( 0.940 0.000 -0.006) 0.940 1.121 ( 1.803 0.000 -0.151) 1.810 1.126 ( 6.197 0.000 1.732) 6.434 1.278 ( 0.787 0.000 4.902) 4.964 1.309 ( 0.234 0.000 -3.807) 3.814 1.496 ( -1.856 0.000 4.463) 4.834 1.557 ( -5.637 0.000 -0.400) 5.651 1.567 ( 2.589 0.000 1.198) 2.853 1.612 ( -1.431 0.000 0.603) 1.553 1.633 ( -1.265 0.000 -3.025) 3.279 1.716 ( -0.076 0.000 3.518) 3.519 1.759 ( -1.455 0.000 2.683) 3.052 1.824 ( 0.520 0.000 -6.140) 6.162 1.826 ( 1.420 0.000 2.081) 2.519 1.845 ( -0.602 0.000 0.156) 0.621 1.867 ( 1.066 0.000 -3.141) 3.317 1.961 ( 0.484 0.000 -1.273) 1.361 1.992 ( 0.122 0.000 1.782) 1.787 2.018 ( -0.269 0.000 -5.481) 5.487 2.095 ( -1.326 0.000 1.797) 2.233 2.119 ( -1.606 0.000 3.927) 4.242 2.137 ( 5.334 0.000 -4.483) 6.968 2.173 ( 0.287 0.000 -2.527) 2.543 2.204 ( 1.772 0.000 2.677) 3.211 2.285 ( 2.271 0.000 -2.113) 3.102 2.308 ( 4.033 0.000 -2.514) 4.753 2.380 ( 5.038 0.000 -4.428) 6.707 2.420 ( 1.657 0.000 -2.851) 3.298 2.443 ( -3.136 0.000 -2.015) 3.728 2.485 ( -0.775 0.000 1.896) 2.048 2.495 ( 3.111 0.000 4.563) 5.522 2.539 ( 2.036 0.000 0.859) 2.210 2.654 ( -4.641 0.000 1.558) 4.896 2.667 ( -1.395 0.000 -3.016) 3.322 2.732 ( -1.724 0.000 -5.395) 5.664 2.759 ( -1.667 0.000 -6.035) 6.261 2.794 ( -1.389 0.000 3.205) 3.493 2.924 ( -0.312 0.000 3.280) 3.294 2.969 ( 2.255 0.000 -3.319) 4.013 3.051 ( -2.032 0.000 -6.369) 6.685 3.068 ( 2.646 0.000 -1.086) 2.861 3.111 ( 7.299 0.000 9.048) 11.625 3.170 ( 0.465 0.000 0.189) 0.501 3.206 ( -1.039 0.000 -0.116) 1.045 3.270 ( -5.844 0.000 2.089) 6.206 3.315 ( -0.805 0.000 3.059) 3.163 3.326 ( 1.975 0.000 -0.331) 2.003 3.404 ( -0.517 0.000 0.290) 0.593 3.408 ( 0.503 0.000 0.201) 0.542 3.430 ( -0.741 0.000 -0.995) 1.241 3.468 ( -2.186 0.000 2.249) 3.136 3.542 ( 1.326 0.000 3.171) 3.437 3.623 ( 3.160 0.000 1.484) 3.491 3.941 ( -0.346 0.000 1.096) 1.150 3.965 ( -3.192 0.000 1.536) 3.542 4.074 ( 1.129 0.000 -2.151) 2.429 4.090 ( -3.476 0.000 0.655) 3.537 4.205 ( -1.866 0.000 2.489) 3.111 4.216 ( 1.385 0.000 0.220) 1.402 4.251 ( 1.499 0.000 -2.372) 2.806 4.284 ( -0.631 0.000 -2.652) 2.726 4.875 ( -0.527 0.000 2.294) 2.354 4.910 ( -1.511 0.000 0.624) 1.635 4.924 ( 1.102 0.000 -2.882) 3.086 5.042 ( -0.363 0.000 -1.195) 1.249 5.474 ( 1.548 0.000 -3.908) 4.203 5.517 ( -1.619 0.000 3.771) 4.104 5.664 ( -0.456 0.000 -2.460) 2.502 5.679 ( -4.260 0.000 6.848) 8.065 5.936 ( 0.908 0.000 4.985) 5.067 6.151 ( 0.225 0.000 -3.750) 3.756 6.314 ( 2.666 0.000 -11.453) 11.760 6.374 ( -12.456 0.000 -7.258) 14.416 6.587 ( -4.604 0.000 4.208) 6.237 6.807 ( -2.015 0.000 -6.199) 6.519 6.846 ( -2.778 0.000 5.389) 6.063 6.933 ( -2.831 0.000 -5.291) 6.001 6.998 ( -2.253 0.000 1.398) 2.651 7.052 ( -2.148 0.000 6.787) 7.119 7.261 ( 0.838 0.000 -1.542) 1.755 7.289 ( 10.320 0.000 -9.110) 13.765 7.754 ( 2.175 0.000 -1.616) 2.710 7.884 ( 13.212 0.000 14.352) 19.508 7.987 ( -6.369 0.000 -1.157) 6.473 8.201 ( -0.242 0.000 1.583) 1.601 14.637 ( 0.400 0.000 1.167) 1.234 14.646 ( 1.066 0.000 -1.026) 1.480 14.947 ( 2.368 0.000 -4.151) 4.778 15.025 ( -7.091 0.000 0.815) 7.138 15.135 ( 5.737 0.000 1.580) 5.950 15.207 ( 1.572 0.000 4.991) 5.233 15.331 ( -1.597 0.000 -3.690) 4.021 15.361 ( 6.133 0.000 7.140) 9.412 15.767 ( -0.698 0.000 -6.140) 6.179 15.943 ( 2.019 0.000 8.088) 8.336 16.085 ( -6.175 0.000 -1.327) 6.316 16.331 ( -2.533 0.000 -7.451) 7.870 16.755 ( 1.041 0.000 0.298) 1.083 16.783 ( 2.666 0.000 0.722) 2.762 16.830 ( -2.158 0.000 0.574) 2.233 16.890 ( -0.842 0.000 -0.235) 0.874 ======================= Grid point 75 (38/52) ======================= q-point: ( 0.00 0.14 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.585 ( 0.355 8.927 9.743) 13.219 0.648 ( -3.936 9.236 8.281) 13.014 0.770 ( 1.898 2.359 9.168) 9.655 0.813 ( -0.496 7.312 -6.723) 9.946 0.872 ( 1.513 4.840 -5.135) 7.217 0.943 ( 1.625 9.235 -5.084) 10.666 1.115 ( 1.596 5.311 2.065) 5.917 1.168 ( -0.747 7.466 -0.489) 7.519 1.210 ( 3.334 -1.512 1.216) 3.858 1.219 ( 0.896 2.233 2.311) 3.336 1.244 ( -2.421 0.423 0.375) 2.486 1.323 ( 0.822 0.402 -6.792) 6.853 1.447 ( -2.873 1.127 3.555) 4.708 1.491 ( 0.868 0.337 0.882) 1.282 1.575 ( -3.566 0.345 1.305) 3.813 1.614 ( 3.053 0.800 1.033) 3.321 1.660 ( 3.215 -1.423 -0.628) 3.572 1.694 ( -0.939 -0.927 -0.121) 1.325 1.730 ( -2.059 0.651 0.292) 2.179 1.798 ( 0.751 0.409 -3.326) 3.434 1.820 ( -1.012 -0.484 -0.082) 1.125 1.862 ( -0.137 -0.111 -2.317) 2.323 1.907 ( -1.401 -0.080 0.505) 1.491 1.957 ( 1.507 0.987 -1.819) 2.560 1.975 ( -1.254 1.273 2.562) 3.124 1.997 ( 0.859 0.763 -0.393) 1.215 2.061 ( -2.856 -2.309 1.848) 4.111 2.119 ( 0.177 0.003 -1.777) 1.786 2.121 ( 0.255 -0.961 1.318) 1.651 2.167 ( 3.770 -2.511 -0.802) 4.600 2.255 ( 1.297 1.025 -1.622) 2.316 2.293 ( 0.776 -1.575 -0.845) 1.949 2.336 ( -3.204 0.766 0.349) 3.312 2.391 ( 0.042 0.040 -3.007) 3.008 2.419 ( -2.803 1.183 5.196) 6.021 2.454 ( 4.272 1.204 -1.005) 4.550 2.511 ( -0.380 -2.186 1.571) 2.719 2.526 ( 1.482 -1.848 4.014) 4.661 2.548 ( -0.950 -0.485 2.064) 2.323 2.591 ( 0.056 1.869 -4.074) 4.483 2.637 ( -0.036 -4.094 -4.821) 6.325 2.677 ( -3.061 -0.519 -7.952) 8.537 2.757 ( 5.507 3.972 -1.023) 6.867 2.787 ( -1.227 -0.980 -1.242) 2.002 2.853 ( -0.478 -4.884 3.102) 5.806 2.913 ( -2.427 -3.286 -3.736) 5.535 3.006 ( 0.096 -1.974 -0.194) 1.985 3.024 ( -0.193 -4.071 -1.055) 4.209 3.123 ( 2.096 -2.411 1.161) 3.400 3.156 ( -3.355 -1.803 -2.364) 4.483 3.212 ( -1.286 -0.389 3.990) 4.210 3.251 ( 4.616 -3.313 2.606) 6.251 3.324 ( 3.831 0.467 0.891) 3.960 3.358 ( -0.057 -1.799 2.341) 2.953 3.375 ( -2.432 -0.291 -0.760) 2.565 3.408 ( -0.490 1.681 -0.615) 1.856 3.468 ( -3.286 1.277 0.994) 3.663 3.493 ( 2.850 2.751 -0.292) 3.972 3.615 ( 0.913 1.543 3.680) 4.094 3.658 ( -0.923 0.676 -0.406) 1.214 3.944 ( -0.048 0.604 2.142) 2.226 3.979 ( 1.439 0.915 -1.246) 2.111 4.009 ( -2.273 -2.664 2.482) 4.293 4.062 ( 1.012 -2.253 -2.726) 3.678 4.178 ( -1.541 0.077 2.792) 3.190 4.225 ( -0.487 -0.743 0.267) 0.928 4.237 ( 0.279 -0.601 -2.586) 2.669 4.249 ( 0.051 -1.273 -1.399) 1.892 4.835 ( -0.852 -2.458 2.062) 3.319 4.866 ( 0.784 -3.304 -0.345) 3.413 4.942 ( 0.308 -2.551 0.322) 2.590 4.966 ( -1.441 -2.260 -1.527) 3.085 5.454 ( -5.644 -0.530 2.066) 6.034 5.494 ( 5.062 -1.365 -1.852) 5.560 5.594 ( 0.355 -4.433 3.002) 5.366 5.640 ( -0.208 -4.364 -1.653) 4.671 5.979 ( -1.894 -0.889 7.939) 8.210 6.042 ( 0.950 1.402 2.912) 3.368 6.288 ( 4.764 4.132 -1.795) 6.557 6.358 ( -7.467 11.015 -7.208) 15.134 6.519 ( 1.938 -10.096 2.656) 10.618 6.594 ( -2.618 -5.949 -4.866) 8.120 6.798 ( -3.737 -0.714 3.585) 5.227 6.877 ( 1.111 -1.083 -3.980) 4.272 7.034 ( -2.040 3.227 7.427) 8.351 7.155 ( -0.253 6.424 -3.879) 7.509 7.364 ( -1.220 8.861 1.966) 9.158 7.446 ( 1.626 8.280 -5.881) 10.285 7.764 ( 7.430 -5.602 2.796) 9.716 7.819 ( -6.139 -4.666 -2.981) 8.268 8.158 ( 8.464 -0.911 2.384) 8.840 8.183 ( -2.752 -0.229 -0.747) 2.860 14.670 ( -0.390 2.385 1.588) 2.892 14.707 ( 1.130 3.913 -2.400) 4.727 14.919 ( -3.109 1.143 4.897) 5.912 15.027 ( 2.155 3.000 -5.958) 7.010 15.199 ( -1.638 -1.528 1.340) 2.610 15.206 ( 0.742 -0.619 0.229) 0.993 15.338 ( 4.179 -0.870 5.204) 6.731 15.453 ( -1.280 -0.222 -5.735) 5.881 15.724 ( 5.449 -7.914 1.797) 9.775 15.787 ( -7.585 -5.910 -4.482) 10.609 16.150 ( 3.749 3.159 5.652) 7.482 16.238 ( -3.430 2.500 -3.402) 5.439 16.768 ( 0.718 -0.783 0.863) 1.369 16.780 ( -0.816 -0.527 -0.342) 1.030 16.848 ( 2.326 -0.177 0.778) 2.459 16.858 ( -1.888 -0.618 -0.394) 2.025 ======================= Grid point 76 (39/52) ======================= q-point: ( 0.20 0.14 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.642 ( -1.204 5.114 6.864) 8.644 0.678 ( 2.718 7.681 5.735) 9.964 0.785 ( 3.012 7.874 -5.078) 9.842 0.844 ( -0.816 6.375 3.136) 7.151 0.898 ( 1.505 1.622 -2.480) 3.324 0.927 ( 2.146 5.343 -8.624) 10.370 1.130 ( 0.257 1.436 -3.333) 3.638 1.135 ( -1.576 6.011 -2.564) 6.723 1.203 ( 1.985 3.747 1.640) 4.546 1.240 ( 1.402 1.002 0.104) 1.727 1.298 ( 2.504 3.225 -2.237) 4.656 1.323 ( 1.025 2.581 2.153) 3.514 1.430 ( 1.847 0.802 1.691) 2.630 1.525 ( -0.388 -2.482 2.903) 3.840 1.558 ( -6.041 -3.425 -0.926) 7.006 1.598 ( 5.315 -1.883 -1.711) 5.893 1.675 ( -4.701 0.776 6.484) 8.047 1.720 ( 0.484 1.849 0.280) 1.932 1.769 ( 5.440 0.380 -1.862) 5.763 1.794 ( 2.451 0.616 1.105) 2.758 1.804 ( 1.579 -1.072 -4.849) 5.211 1.852 ( -1.824 1.567 -0.764) 2.523 1.886 ( -0.341 1.033 2.122) 2.385 1.967 ( 0.750 3.778 0.425) 3.875 1.974 ( 0.315 -1.313 0.026) 1.351 2.005 ( 0.032 1.927 0.544) 2.003 2.058 ( 0.214 0.133 0.200) 0.322 2.115 ( -0.910 -2.273 -1.016) 2.650 2.141 ( 1.182 -0.169 -0.792) 1.433 2.191 ( -1.606 -0.503 -0.076) 1.684 2.229 ( -4.603 2.570 1.431) 5.463 2.243 ( -1.579 -0.071 -1.420) 2.125 2.297 ( 0.485 -1.363 -1.659) 2.201 2.359 ( -3.799 3.091 1.448) 5.107 2.397 ( -0.547 1.528 -3.265) 3.646 2.450 ( -3.045 2.229 1.481) 4.053 2.508 ( -1.523 -3.113 1.233) 3.678 2.532 ( -0.917 -1.897 2.234) 3.071 2.557 ( 1.469 -1.966 -2.705) 3.652 2.573 ( -1.903 -3.199 -5.733) 6.836 2.634 ( 2.351 0.724 2.930) 3.826 2.670 ( 5.490 -2.525 -0.303) 6.050 2.755 ( -2.241 -3.133 0.293) 3.863 2.819 ( 1.876 -0.159 -1.420) 2.358 2.871 ( -0.908 -2.397 3.832) 4.610 2.890 ( 2.444 -2.558 -1.868) 4.001 2.993 ( -0.623 -2.904 0.612) 3.032 3.005 ( -1.254 -4.000 -2.325) 4.794 3.113 ( -0.105 -2.654 -0.104) 2.658 3.175 ( 0.635 -0.648 1.731) 1.954 3.209 ( -1.731 -1.384 -0.020) 2.216 3.286 ( -2.103 0.718 -4.354) 4.889 3.312 ( 3.369 -1.924 -2.992) 4.899 3.363 ( -0.643 -2.853 0.228) 2.933 3.396 ( -1.453 2.244 3.288) 4.238 3.406 ( -0.909 0.272 0.756) 1.213 3.425 ( 1.665 0.607 0.624) 1.879 3.533 ( 1.147 0.747 -0.829) 1.600 3.609 ( -2.470 1.958 -0.255) 3.162 3.649 ( -0.537 1.603 2.004) 2.622 3.950 ( 0.060 -0.703 -0.317) 0.774 3.994 ( 0.523 -0.230 0.547) 0.791 4.007 ( 0.856 -1.572 0.966) 2.034 4.080 ( 2.826 -1.844 -1.245) 3.597 4.187 ( -0.429 0.340 4.135) 4.171 4.196 ( -2.531 -1.230 0.699) 2.900 4.229 ( -1.522 -1.757 0.428) 2.363 4.253 ( 2.119 0.164 -2.091) 2.981 4.826 ( -0.955 -2.633 1.488) 3.172 4.864 ( -0.899 -3.859 -0.206) 3.968 4.932 ( 1.302 -0.991 0.048) 1.637 5.006 ( 2.941 -2.193 0.217) 3.675 5.407 ( -1.131 0.129 2.239) 2.512 5.589 ( 3.198 -1.117 -3.203) 4.662 5.600 ( 3.252 -1.517 1.328) 3.826 5.717 ( 6.896 -5.698 -0.453) 8.957 5.982 ( -3.158 -1.880 4.954) 6.169 6.052 ( -0.875 -1.957 1.023) 2.376 6.168 ( -6.215 8.428 -3.540) 11.054 6.426 ( 2.147 4.334 0.809) 4.904 6.541 ( 4.864 -7.985 1.607) 9.486 6.595 ( 2.525 -5.254 3.463) 6.781 6.790 ( -0.760 -0.711 7.203) 7.278 6.874 ( 0.467 -1.725 -1.874) 2.589 7.075 ( -0.037 4.757 6.514) 8.067 7.146 ( 2.573 2.426 -2.144) 4.136 7.316 ( -5.396 12.120 1.746) 13.381 7.392 ( -3.167 6.410 -4.197) 8.290 7.697 ( -4.314 -6.574 -4.640) 9.130 7.926 ( 7.970 -3.165 1.989) 8.803 8.079 ( -5.810 0.194 -6.006) 8.359 8.249 ( 2.071 -0.521 -2.879) 3.584 14.661 ( -1.466 2.558 1.088) 3.143 14.698 ( -0.159 3.314 -2.555) 4.187 14.890 ( -2.233 2.690 4.311) 5.551 15.064 ( 1.953 -1.855 -2.190) 3.472 15.146 ( -1.097 0.163 -1.072) 1.542 15.254 ( 1.805 -0.354 1.326) 2.267 15.336 ( -4.396 -0.800 -7.037) 8.335 15.424 ( 0.697 0.493 1.432) 1.667 15.622 ( -3.377 -4.973 2.090) 6.364 15.940 ( 10.197 -9.047 3.690) 14.122 16.096 ( -6.072 3.220 -2.419) 7.286 16.276 ( 3.711 3.186 0.968) 4.986 16.757 ( -1.104 -0.193 -0.378) 1.183 16.770 ( -1.411 -0.989 0.386) 1.766 16.837 ( 0.538 -0.493 -0.534) 0.904 16.886 ( 1.050 -0.031 0.466) 1.150 ======================= Grid point 77 (40/52) ======================= q-point: ( 0.40 0.14 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.660 ( -3.705 2.911 4.719) 6.668 0.702 ( -1.814 6.168 -0.393) 6.441 0.774 ( -3.794 6.349 2.823) 7.917 0.842 ( 5.504 3.268 -8.859) 10.930 0.937 ( 4.461 6.442 -3.062) 8.413 0.954 ( 5.108 4.018 3.515) 7.388 1.067 ( -4.653 7.357 -2.448) 9.042 1.147 ( -0.046 2.457 -3.414) 4.206 1.197 ( 3.366 0.965 -4.682) 5.846 1.245 ( -4.666 3.851 2.687) 6.620 1.315 ( 1.181 3.558 1.619) 4.083 1.374 ( 3.284 3.143 -2.854) 5.367 1.466 ( -2.816 0.539 -0.714) 2.955 1.502 ( 1.105 -2.385 -2.374) 3.542 1.560 ( 1.654 -2.471 1.913) 3.536 1.645 ( 0.534 1.706 5.244) 5.541 1.670 ( -0.100 0.851 5.863) 5.925 1.689 ( -2.162 -1.257 0.511) 2.553 1.759 ( -2.649 -0.555 -4.357) 5.129 1.802 ( 0.274 0.565 -0.185) 0.655 1.853 ( 1.729 0.445 0.840) 1.973 1.882 ( 0.203 2.953 -0.366) 2.982 1.888 ( 3.947 1.032 -2.751) 4.920 1.963 ( -1.958 2.655 -2.844) 4.356 1.994 ( 0.799 0.100 2.348) 2.482 2.026 ( 0.358 0.867 2.299) 2.483 2.061 ( -0.892 0.398 2.094) 2.311 2.081 ( 4.084 1.211 -1.427) 4.493 2.132 ( -4.063 2.697 1.172) 5.015 2.145 ( -2.182 -0.701 0.631) 2.377 2.184 ( -1.395 0.612 0.194) 1.535 2.227 ( 0.778 1.696 -2.137) 2.837 2.282 ( -1.714 -1.902 -0.238) 2.572 2.324 ( 2.043 0.729 -2.654) 3.428 2.394 ( 1.969 0.550 -2.847) 3.504 2.442 ( -0.903 0.376 2.071) 2.290 2.469 ( -0.881 -4.942 -2.021) 5.411 2.507 ( -1.117 -2.647 0.755) 2.971 2.543 ( 1.019 -0.984 -0.153) 1.425 2.565 ( -1.390 -3.170 -1.237) 3.676 2.678 ( -0.039 -2.848 2.718) 3.937 2.741 ( 2.640 -0.046 -0.577) 2.703 2.759 ( 0.378 -3.850 5.257) 6.527 2.841 ( 1.716 -1.048 -1.333) 2.413 2.883 ( 0.249 -1.509 1.159) 1.919 2.896 ( 0.667 -4.131 -1.314) 4.386 2.955 ( -1.987 -4.429 -2.859) 5.634 3.032 ( 2.298 -0.859 1.772) 3.026 3.075 ( -3.932 -2.710 -4.944) 6.873 3.123 ( -1.135 -1.705 -1.433) 2.499 3.197 ( 0.831 -0.367 -0.272) 0.948 3.271 ( -1.333 -1.693 -2.631) 3.400 3.320 ( -1.909 -0.737 1.971) 2.841 3.343 ( 1.416 -1.415 -1.524) 2.516 3.395 ( 1.450 0.583 0.998) 1.854 3.429 ( 0.126 0.829 1.665) 1.864 3.458 ( 0.702 0.061 1.217) 1.406 3.515 ( -1.896 0.101 -0.899) 2.101 3.580 ( -0.328 3.646 0.276) 3.672 3.636 ( -1.834 3.614 0.127) 4.055 3.957 ( 0.664 -1.754 0.182) 1.884 3.992 ( -0.306 -0.496 -1.004) 1.161 4.060 ( 3.818 -1.908 1.099) 4.407 4.126 ( -0.061 -2.560 0.014) 2.561 4.150 ( -0.164 -0.205 0.659) 0.709 4.187 ( -3.134 -1.574 0.921) 3.626 4.217 ( -0.620 -0.969 4.675) 4.814 4.279 ( 2.006 -0.242 -2.092) 2.908 4.828 ( -0.086 -2.946 1.491) 3.303 4.851 ( -0.307 -3.824 -0.062) 3.836 4.974 ( 2.551 -0.836 0.627) 2.757 5.034 ( 0.174 -1.034 -1.277) 1.652 5.428 ( 1.041 0.394 2.979) 3.180 5.575 ( -0.680 -0.355 -6.080) 6.128 5.678 ( 3.183 1.408 3.411) 4.873 5.826 ( 4.094 -0.465 -3.199) 5.217 5.946 ( -5.904 -4.355 6.057) 9.513 5.991 ( -0.923 0.222 -5.388) 5.471 6.145 ( 2.151 -5.853 5.736) 8.472 6.360 ( -3.538 -5.707 -5.330) 8.573 6.644 ( 0.535 -6.599 6.137) 9.027 6.749 ( 7.365 -2.867 2.836) 8.397 6.849 ( -0.678 -0.583 8.335) 8.383 6.900 ( 5.251 1.352 4.662) 7.151 7.095 ( 0.171 7.095 0.131) 7.099 7.198 ( -0.531 4.935 -0.195) 4.967 7.248 ( 0.766 8.912 0.416) 8.954 7.298 ( -4.038 6.714 -1.403) 7.960 7.609 ( -2.607 -6.037 -1.435) 6.731 7.910 ( -5.940 -0.211 -11.789) 13.202 8.065 ( 5.925 -1.977 1.882) 6.524 8.217 ( -2.707 -0.080 -3.998) 4.829 14.643 ( -1.060 2.149 1.032) 2.609 14.678 ( 0.003 2.648 -2.344) 3.536 14.904 ( 0.672 1.716 3.911) 4.323 15.021 ( -3.516 -1.801 -1.539) 4.240 15.149 ( 1.126 -0.666 -2.300) 2.646 15.225 ( -2.637 -0.555 -5.162) 5.823 15.294 ( 0.211 0.422 3.110) 3.146 15.405 ( 0.623 0.305 -4.636) 4.687 15.681 ( 3.668 -1.525 8.670) 9.537 15.955 ( -6.036 1.952 -4.205) 7.611 16.131 ( 5.717 -6.715 6.169) 10.762 16.312 ( 1.179 1.046 -3.033) 3.418 16.738 ( -0.972 -0.311 0.216) 1.043 16.745 ( -0.631 -0.420 -0.572) 0.949 16.859 ( 1.510 -0.829 0.265) 1.743 16.889 ( -0.831 -0.163 0.168) 0.863 ======================= Grid point 78 (41/52) ======================= q-point: (-0.40 0.14 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.554 ( -8.498 3.530 8.881) 12.788 0.654 ( -6.632 6.807 6.206) 11.351 0.791 ( 4.564 7.339 -2.371) 8.962 0.911 ( 7.917 1.313 -9.186) 12.198 0.958 ( -3.812 7.571 -1.903) 8.687 1.004 ( 1.214 8.498 -1.926) 8.797 1.068 ( 2.004 2.455 2.818) 4.241 1.074 ( -1.570 2.262 -2.684) 3.845 1.147 ( -5.307 5.349 0.260) 7.540 1.256 ( 3.087 4.104 3.092) 5.994 1.294 ( -9.618 5.613 2.688) 11.456 1.387 ( -0.420 2.322 -1.544) 2.820 1.418 ( 1.475 2.151 -0.972) 2.784 1.485 ( 2.049 -2.343 -1.177) 3.328 1.624 ( -1.366 0.202 1.704) 2.193 1.625 ( 0.571 -2.073 5.957) 6.334 1.672 ( -1.759 0.866 -5.378) 5.724 1.685 ( -0.792 1.321 2.578) 3.004 1.743 ( 0.072 -0.494 2.863) 2.906 1.841 ( -1.976 -0.900 -5.385) 5.806 1.845 ( 1.941 -0.899 2.484) 3.278 1.864 ( -1.494 1.492 1.771) 2.756 1.902 ( 0.068 0.875 -1.581) 1.808 1.936 ( 1.999 2.691 -2.025) 3.916 2.003 ( -1.175 0.545 2.788) 3.074 2.045 ( 0.204 2.451 -1.673) 2.975 2.075 ( -0.122 0.727 -0.619) 0.963 2.106 ( 1.716 0.157 -0.698) 1.859 2.130 ( 0.506 -1.507 -1.263) 2.031 2.142 ( 0.059 0.919 2.897) 3.040 2.176 ( 3.110 -0.291 -2.266) 3.859 2.246 ( 0.203 -1.242 2.210) 2.543 2.264 ( 3.115 1.053 -2.928) 4.402 2.355 ( 3.272 1.250 -4.678) 5.844 2.406 ( 0.008 -2.390 -1.405) 2.773 2.413 ( 0.068 -1.418 -1.214) 1.868 2.469 ( -2.494 -2.637 2.194) 4.241 2.490 ( -2.728 -2.141 4.816) 5.935 2.554 ( 0.768 1.353 -4.243) 4.519 2.563 ( 3.439 -5.082 -0.070) 6.136 2.687 ( -1.377 -4.752 2.677) 5.626 2.747 ( -0.150 -3.699 -3.407) 5.031 2.787 ( -0.431 2.022 3.780) 4.309 2.852 ( 0.889 -0.653 -1.750) 2.069 2.891 ( -0.680 -2.268 -4.057) 4.698 2.930 ( 2.715 -1.720 4.536) 5.559 2.954 ( 3.840 -2.207 -0.662) 4.479 2.967 ( 0.140 -3.928 -5.310) 6.606 3.084 ( -2.025 -3.219 -1.174) 3.981 3.121 ( 2.761 -1.080 0.957) 3.115 3.195 ( -2.184 -2.226 -0.403) 3.144 3.228 ( 1.178 -2.324 -0.213) 2.615 3.313 ( -1.586 -0.589 2.433) 2.963 3.349 ( -1.390 -0.892 -1.344) 2.129 3.399 ( -1.457 -0.008 1.311) 1.960 3.433 ( 0.406 2.113 1.230) 2.478 3.475 ( -1.397 1.232 -0.569) 1.948 3.491 ( 1.997 0.031 0.878) 2.182 3.586 ( -2.483 4.477 0.345) 5.131 3.609 ( 1.216 3.626 1.929) 4.283 3.949 ( -1.879 -0.947 0.895) 2.287 3.990 ( 0.676 -0.794 -0.821) 1.327 4.070 ( -3.383 -2.162 0.196) 4.019 4.124 ( -2.076 -2.135 0.438) 3.010 4.148 ( 2.361 -1.712 1.028) 3.092 4.201 ( 2.842 -1.137 0.084) 3.062 4.224 ( -1.258 -0.643 2.812) 3.147 4.290 ( 0.781 -0.925 -2.620) 2.886 4.835 ( -0.120 -3.066 1.252) 3.314 4.848 ( -0.144 -3.569 -0.337) 3.588 4.999 ( -2.277 -0.361 -1.856) 2.960 5.015 ( 1.131 -1.724 0.627) 2.155 5.471 ( 0.630 -0.439 3.638) 3.718 5.513 ( -0.889 0.742 -5.003) 5.135 5.738 ( -1.207 2.439 4.907) 5.611 5.755 ( -6.994 1.850 -3.291) 7.948 5.882 ( -1.958 -3.422 4.504) 5.986 6.040 ( 5.109 -5.076 -2.715) 7.697 6.220 ( -0.551 -8.327 2.254) 8.644 6.302 ( 3.826 -6.585 -3.338) 8.315 6.671 ( -2.525 -5.259 6.350) 8.623 6.743 ( -2.869 -8.078 -3.041) 9.096 6.915 ( -1.002 -0.167 4.728) 4.836 7.041 ( 1.961 4.142 -4.341) 6.312 7.103 ( 0.859 9.061 3.069) 9.605 7.134 ( 0.543 5.504 -4.223) 6.959 7.244 ( 1.015 7.895 0.710) 7.991 7.332 ( 4.960 5.790 -3.701) 8.476 7.638 ( 2.372 -1.045 12.118) 12.392 7.743 ( -2.399 -3.140 -10.256) 10.991 8.109 ( -6.121 -0.677 -2.828) 6.777 8.162 ( 3.088 -1.018 1.724) 3.680 14.641 ( -0.030 1.779 1.380) 2.252 14.674 ( 1.318 3.017 -2.146) 3.930 14.933 ( -1.709 -1.221 1.562) 2.617 14.997 ( 4.291 0.428 0.334) 4.325 15.155 ( -1.083 -0.269 -0.782) 1.363 15.161 ( -0.319 -0.040 -0.866) 0.923 15.315 ( -0.191 1.612 4.285) 4.583 15.380 ( -0.399 -0.115 -5.713) 5.729 15.818 ( -1.688 0.281 -0.619) 1.820 15.835 ( 3.043 0.237 3.309) 4.502 16.178 ( -5.542 -2.480 3.369) 6.944 16.315 ( 3.211 -3.428 -4.798) 6.715 16.730 ( -0.068 -0.588 0.698) 0.915 16.745 ( 0.905 -0.054 -0.313) 0.959 16.862 ( -2.005 -0.522 0.107) 2.074 16.885 ( 0.744 -0.869 0.486) 1.243 ======================= Grid point 79 (42/52) ======================= q-point: (-0.20 0.14 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.540 ( -2.083 6.092 12.291) 13.875 0.599 ( -3.324 7.262 10.332) 13.059 0.820 ( -6.839 8.689 2.925) 11.438 0.852 ( -0.188 2.017 -4.767) 5.179 0.924 ( -0.777 9.488 -6.980) 11.805 0.985 ( -3.730 7.373 -5.004) 9.660 1.051 ( 4.862 1.421 -0.181) 5.069 1.113 ( 1.916 2.760 3.612) 4.933 1.133 ( 1.783 8.295 3.724) 9.266 1.215 ( -1.288 7.382 2.027) 7.763 1.301 ( -1.784 2.076 -1.170) 2.976 1.342 ( 0.699 2.005 -0.055) 2.124 1.458 ( -0.727 -3.235 -0.447) 3.345 1.501 ( -0.718 0.338 4.204) 4.278 1.586 ( 0.590 -3.165 -5.518) 6.389 1.627 ( -1.471 1.128 0.361) 1.888 1.647 ( -2.756 2.126 1.607) 3.834 1.712 ( 1.502 -0.259 1.900) 2.436 1.730 ( -3.002 -1.750 2.985) 4.581 1.797 ( 1.032 -0.244 -2.654) 2.858 1.838 ( 0.732 -0.562 -0.645) 1.126 1.883 ( 1.785 3.120 -2.099) 4.163 1.903 ( -1.200 2.154 0.135) 2.470 1.961 ( -0.425 -1.981 1.481) 2.510 1.977 ( -2.316 0.646 1.464) 2.815 2.011 ( -0.957 -0.268 -3.877) 4.002 2.074 ( 0.831 -1.213 2.662) 3.042 2.118 ( 2.079 -0.939 -0.759) 2.404 2.133 ( -0.190 -0.311 -2.460) 2.487 2.154 ( -1.834 -0.742 -1.409) 2.429 2.231 ( 2.028 1.065 -0.739) 2.407 2.256 ( 1.139 -1.952 1.132) 2.527 2.320 ( 4.648 1.495 -1.936) 5.253 2.372 ( 0.465 -1.770 -0.401) 1.874 2.411 ( 3.493 0.976 -2.240) 4.263 2.441 ( -2.190 -1.978 3.491) 4.571 2.462 ( 1.661 -2.424 3.927) 4.905 2.500 ( 2.669 -0.861 0.833) 2.925 2.544 ( 1.812 1.813 -5.208) 5.804 2.599 ( 1.192 -2.271 -3.393) 4.253 2.658 ( -1.138 -2.761 -0.780) 3.086 2.718 ( -0.825 -1.370 -1.356) 2.097 2.779 ( -2.058 2.935 -1.198) 3.779 2.826 ( -2.937 1.111 -3.006) 4.347 2.855 ( -0.347 -6.398 0.091) 6.408 2.960 ( 2.533 -1.447 -3.833) 4.817 3.008 ( 0.795 -4.484 -0.085) 4.554 3.025 ( -0.232 -4.078 -4.965) 6.429 3.092 ( 6.732 -1.561 8.231) 10.747 3.116 ( -1.068 -2.989 -0.375) 3.196 3.201 ( 0.526 -0.426 0.750) 1.010 3.243 ( -2.581 -3.255 0.175) 4.157 3.293 ( -1.197 0.503 0.591) 1.426 3.311 ( 0.647 -1.065 4.150) 4.333 3.407 ( 0.080 -0.194 -0.202) 0.291 3.425 ( -0.878 2.261 0.106) 2.428 3.467 ( 0.073 2.183 -0.461) 2.233 3.507 ( -1.607 2.473 0.781) 3.051 3.567 ( 0.858 2.519 3.091) 4.079 3.652 ( 1.092 1.814 2.025) 2.930 3.931 ( -0.405 -0.919 1.261) 1.612 3.982 ( -1.563 1.222 1.003) 2.223 4.034 ( -0.547 -3.333 -0.490) 3.413 4.072 ( -1.896 -1.321 -0.868) 2.469 4.197 ( -0.539 -1.452 1.436) 2.112 4.209 ( 0.347 0.015 1.266) 1.313 4.245 ( 1.699 -1.898 -1.204) 2.817 4.268 ( -0.811 -0.542 -3.294) 3.436 4.835 ( -0.601 -3.423 0.731) 3.551 4.850 ( 0.584 -2.497 0.702) 2.659 4.949 ( -1.371 -0.879 -1.613) 2.292 5.015 ( -1.373 -3.034 -0.604) 3.385 5.461 ( 0.448 -0.884 -2.691) 2.868 5.518 ( -0.789 0.111 3.133) 3.233 5.614 ( -6.554 -3.224 0.512) 7.322 5.696 ( -3.902 -1.001 1.054) 4.164 5.941 ( 2.501 -0.295 6.351) 6.832 6.035 ( -3.904 -2.830 1.242) 4.980 6.233 ( 4.540 -4.232 -5.537) 8.318 6.396 ( 4.626 -5.152 1.837) 7.163 6.608 ( -7.938 -1.051 -1.835) 8.215 6.667 ( -2.531 -7.481 -3.466) 8.625 6.883 ( -4.212 3.105 -2.934) 5.999 6.904 ( -3.194 0.533 -5.768) 6.615 7.073 ( -4.952 5.154 0.824) 7.195 7.169 ( 0.356 8.897 2.660) 9.293 7.341 ( 5.246 5.727 -3.703) 8.604 7.393 ( 6.416 8.879 -3.595) 11.529 7.659 ( 2.299 -7.086 -1.409) 7.581 7.905 ( 10.808 -0.287 12.481) 16.512 7.967 ( -6.745 -1.306 -1.623) 7.059 8.205 ( 0.133 -0.437 1.727) 1.786 14.657 ( 0.400 1.945 1.790) 2.673 14.692 ( 2.025 3.835 -2.220) 4.872 14.918 ( -0.200 -1.319 0.796) 1.554 15.085 ( -2.411 3.434 -4.133) 5.889 15.119 ( 5.291 -1.520 2.081) 5.885 15.206 ( 1.883 -0.295 4.759) 5.127 15.313 ( -2.581 -1.043 -3.769) 4.686 15.381 ( 5.101 1.669 4.515) 7.013 15.716 ( -2.557 -4.145 -6.122) 7.823 15.976 ( -1.515 1.734 5.563) 6.020 16.040 ( -2.765 -3.004 -2.262) 4.667 16.315 ( -1.516 -1.549 -2.519) 3.323 16.745 ( 0.991 -0.675 0.831) 1.459 16.772 ( 1.795 -0.661 0.306) 1.937 16.829 ( -1.289 -0.088 0.402) 1.353 16.887 ( -0.934 -0.651 0.276) 1.172 ======================= Grid point 80 (43/52) ======================= q-point: ( 0.00 0.29 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.716 ( -2.715 5.270 6.720) 8.961 0.758 ( 2.814 2.226 5.821) 6.838 0.898 ( 2.996 4.574 -0.976) 5.555 0.945 ( -3.943 10.897 -1.652) 11.706 1.047 ( -1.948 3.922 0.360) 4.394 1.089 ( -1.761 6.658 -4.398) 8.172 1.159 ( -1.316 0.471 -0.461) 1.472 1.192 ( 6.580 1.707 -0.887) 6.855 1.277 ( -2.195 4.506 3.938) 6.374 1.310 ( -4.615 5.708 -0.180) 7.342 1.345 ( 2.809 2.845 -3.669) 5.427 1.347 ( 0.686 3.740 -2.576) 4.593 1.477 ( 1.266 2.419 -0.590) 2.793 1.509 ( -2.091 1.439 -1.543) 2.970 1.584 ( -3.417 -0.655 0.589) 3.529 1.612 ( 5.512 -0.378 -1.696) 5.780 1.626 ( -3.083 0.528 2.240) 3.847 1.683 ( 2.649 -2.314 -3.294) 4.819 1.759 ( -0.222 1.297 4.166) 4.369 1.828 ( -0.859 1.728 1.396) 2.381 1.849 ( 2.953 3.354 -2.424) 5.084 1.874 ( -0.318 2.506 -2.225) 3.366 1.900 ( -3.251 0.232 1.525) 3.599 1.918 ( 0.843 -2.782 0.802) 3.016 2.007 ( 0.329 0.658 1.137) 1.354 2.012 ( -0.262 0.198 1.748) 1.778 2.047 ( 0.607 0.897 0.977) 1.458 2.093 ( -1.160 -0.675 -1.759) 2.212 2.107 ( 2.672 -2.025 -0.140) 3.356 2.134 ( 0.404 -0.072 -2.250) 2.287 2.265 ( -1.700 -0.765 1.469) 2.374 2.297 ( 1.645 1.484 0.351) 2.243 2.357 ( 0.216 -4.455 1.729) 4.783 2.373 ( -2.706 1.828 -0.012) 3.266 2.409 ( 1.522 -4.420 1.736) 4.987 2.435 ( 0.174 0.999 4.971) 5.074 2.464 ( 3.683 -2.483 -1.246) 4.614 2.501 ( 3.240 -0.669 3.345) 4.705 2.520 ( -1.172 -1.426 1.015) 2.106 2.589 ( 1.097 -1.353 -2.392) 2.959 2.621 ( -0.130 1.431 -8.503) 8.624 2.657 ( -3.606 -3.139 -2.618) 5.451 2.717 ( -2.781 -4.295 -3.055) 5.959 2.742 ( 0.953 -3.328 -2.969) 4.560 2.820 ( -1.428 -0.257 0.104) 1.455 2.856 ( 2.111 -0.341 -3.477) 4.082 2.959 ( 1.919 -1.504 0.719) 2.542 2.972 ( -1.562 -1.759 -0.301) 2.371 3.093 ( 2.231 -0.416 1.609) 2.782 3.134 ( -2.855 -0.503 -2.335) 3.723 3.170 ( 1.244 -2.427 2.147) 3.471 3.204 ( 0.306 -2.841 0.594) 2.919 3.325 ( 1.104 0.239 2.913) 3.124 3.334 ( 2.501 -0.125 3.799) 4.550 3.381 ( -1.493 -0.078 -0.842) 1.716 3.432 ( -1.239 0.646 -4.342) 4.562 3.489 ( -2.215 1.177 1.863) 3.124 3.525 ( 0.822 0.251 -0.566) 1.029 3.636 ( 0.351 0.243 2.554) 2.590 3.657 ( -1.418 -1.185 0.926) 2.067 3.934 ( 1.062 -1.885 2.909) 3.626 3.966 ( -1.712 -1.093 0.237) 2.045 4.004 ( 1.665 0.264 -0.331) 1.718 4.018 ( -1.348 -0.014 -2.504) 2.844 4.180 ( -0.471 -0.611 2.454) 2.573 4.193 ( -0.593 -1.049 1.159) 1.672 4.223 ( 1.906 -0.875 -0.090) 2.099 4.243 ( -1.224 0.611 -1.681) 2.168 4.783 ( -0.433 -2.594 1.533) 3.044 4.804 ( -0.061 -2.974 -0.061) 2.975 4.863 ( -0.534 -4.629 0.199) 4.664 4.890 ( 0.207 -4.718 -2.060) 5.152 5.451 ( -3.486 0.221 1.523) 3.811 5.481 ( 4.011 -0.208 -0.808) 4.096 5.516 ( 1.061 -2.639 0.890) 2.980 5.551 ( -2.071 -3.915 -1.957) 4.842 5.979 ( -0.910 0.133 6.317) 6.384 6.033 ( -2.241 -1.645 1.606) 3.211 6.291 ( 4.462 -4.198 2.323) 6.552 6.312 ( 0.099 -7.625 0.452) 7.639 6.556 ( 2.870 8.703 0.553) 9.180 6.600 ( -2.222 4.869 -0.979) 5.441 6.843 ( -3.219 2.172 0.357) 3.900 6.873 ( -0.659 2.683 -4.143) 4.979 7.098 ( -2.895 3.038 1.348) 4.407 7.226 ( -2.250 -0.098 -9.576) 9.837 7.545 ( 0.413 7.847 4.580) 9.095 7.598 ( 2.193 0.050 0.629) 2.282 7.690 ( 7.862 5.056 -0.855) 9.386 7.723 ( -8.192 -3.508 -2.814) 9.345 8.110 ( 7.501 -3.960 3.309) 9.105 8.142 ( -2.946 -4.035 -0.532) 5.024 14.732 ( -0.572 3.546 3.047) 4.710 14.789 ( 1.045 3.926 -2.430) 4.734 14.940 ( 0.113 0.748 5.493) 5.544 15.077 ( -0.537 0.528 -7.547) 7.584 15.172 ( 2.313 -0.328 1.905) 3.014 15.196 ( -2.157 -0.011 -0.508) 2.216 15.321 ( 4.407 -0.423 5.863) 7.347 15.453 ( -3.835 0.418 -6.975) 7.971 15.567 ( 5.824 -7.085 2.868) 9.609 15.670 ( -9.036 -5.336 -7.370) 12.823 16.209 ( 2.753 2.508 5.223) 6.415 16.270 ( -0.605 0.723 -1.057) 1.417 16.759 ( 0.270 0.046 1.215) 1.245 16.776 ( -0.172 0.177 -0.615) 0.663 16.834 ( 0.442 -1.369 0.392) 1.491 16.839 ( -0.214 -1.130 -0.015) 1.150 ======================= Grid point 81 (44/52) ======================= q-point: ( 0.20 0.29 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.723 ( -0.843 5.302 7.561) 9.273 0.840 ( 1.664 6.233 -6.658) 9.271 0.894 ( 3.504 3.059 -3.499) 5.821 0.928 ( -2.363 2.146 1.894) 3.712 1.050 ( 0.151 9.213 3.099) 9.722 1.070 ( 2.218 7.952 4.189) 9.258 1.152 ( -3.421 -0.523 0.987) 3.599 1.215 ( 0.475 2.462 -0.278) 2.522 1.276 ( 1.364 -0.403 -0.880) 1.673 1.283 ( 3.223 4.347 -2.975) 6.175 1.310 ( -3.398 2.031 0.002) 3.959 1.398 ( 3.748 4.377 1.471) 5.948 1.482 ( -1.725 -0.005 0.948) 1.968 1.507 ( -1.317 4.201 -0.358) 4.417 1.547 ( 1.740 1.519 2.441) 3.361 1.577 ( 1.764 0.360 -2.833) 3.357 1.678 ( -4.261 -1.406 2.002) 4.914 1.732 ( 5.509 -2.239 -1.748) 6.198 1.774 ( 2.264 0.653 0.434) 2.395 1.808 ( -2.877 3.360 -0.557) 4.458 1.855 ( 1.896 3.841 -0.680) 4.337 1.890 ( -0.590 1.388 -1.002) 1.810 1.915 ( 4.865 3.045 -0.108) 5.741 1.939 ( 1.356 -0.843 -0.384) 1.642 2.019 ( -0.618 -0.341 1.808) 1.940 2.033 ( 2.800 1.541 -0.182) 3.201 2.061 ( -0.859 -1.623 1.796) 2.569 2.076 ( 1.234 0.516 -3.072) 3.351 2.131 ( -0.843 -2.526 -0.981) 2.838 2.141 ( 2.732 -1.126 -2.407) 3.811 2.234 ( -1.275 -1.631 1.371) 2.483 2.285 ( -4.507 0.913 0.851) 4.677 2.317 ( -2.088 1.940 0.346) 2.871 2.387 ( 1.098 -0.199 -0.050) 1.117 2.398 ( -1.006 -3.441 -2.720) 4.501 2.472 ( -2.958 -3.317 2.409) 5.055 2.475 ( 1.381 0.142 -2.804) 3.129 2.489 ( -6.225 -1.409 0.783) 6.430 2.501 ( -1.110 -1.095 -0.125) 1.564 2.535 ( -2.007 1.471 -4.730) 5.345 2.598 ( 2.344 -0.966 -4.490) 5.157 2.655 ( 2.548 -1.501 5.647) 6.375 2.666 ( -2.544 -4.084 1.294) 4.982 2.748 ( 1.011 -5.376 -2.099) 5.859 2.808 ( 2.188 -1.677 -0.097) 2.759 2.878 ( -0.598 0.130 -0.223) 0.651 2.936 ( -2.625 -1.003 0.890) 2.947 2.952 ( -0.793 -1.966 -2.182) 3.042 3.087 ( -0.368 -0.585 -0.871) 1.112 3.117 ( -0.182 -3.796 -0.566) 3.842 3.217 ( 1.620 0.422 -0.131) 1.679 3.241 ( 3.151 -4.166 0.523) 5.249 3.312 ( -2.447 1.551 -2.214) 3.646 3.342 ( -0.807 0.518 -2.204) 2.404 3.380 ( -0.874 -2.148 0.901) 2.488 3.410 ( 0.560 0.098 1.849) 1.934 3.474 ( -1.091 2.591 3.440) 4.443 3.531 ( 0.095 -0.634 -0.324) 0.718 3.637 ( -1.245 0.304 0.992) 1.621 3.666 ( 1.048 -0.235 2.528) 2.747 3.925 ( -1.248 -1.427 -0.328) 1.924 3.964 ( -0.386 -2.179 0.908) 2.392 4.007 ( 1.092 0.968 0.939) 1.735 4.042 ( 2.662 -1.440 -0.969) 3.177 4.169 ( -2.169 -2.012 0.475) 2.996 4.170 ( -2.919 -1.390 1.324) 3.494 4.212 ( -0.419 0.881 0.305) 1.022 4.265 ( 1.953 0.842 -0.624) 2.216 4.773 ( -1.230 -2.680 1.295) 3.220 4.790 ( -1.094 -3.268 0.218) 3.453 4.875 ( 1.877 -4.141 0.227) 4.552 4.926 ( 3.312 -5.210 -0.782) 6.223 5.426 ( -0.223 1.801 1.343) 2.257 5.546 ( 2.673 -2.228 -1.207) 3.684 5.579 ( 7.181 -1.479 -0.828) 7.378 5.601 ( 6.030 -4.574 1.606) 7.737 5.944 ( -5.745 -1.492 2.739) 6.537 6.008 ( -2.777 -2.030 5.214) 6.246 6.266 ( -2.352 -3.011 -5.201) 6.453 6.358 ( -1.028 -6.864 -4.648) 8.353 6.501 ( -2.394 8.327 -0.415) 8.675 6.650 ( 3.990 5.947 2.032) 7.445 6.801 ( -0.466 1.838 6.168) 6.453 6.884 ( 0.450 2.186 -0.879) 2.399 7.128 ( 1.750 -0.308 10.144) 10.299 7.174 ( 1.567 0.591 -3.042) 3.472 7.511 ( -8.005 0.922 -1.762) 8.248 7.551 ( -3.935 10.013 0.727) 10.783 7.601 ( -1.312 1.102 -3.862) 4.225 7.862 ( 8.708 -1.732 1.271) 8.969 8.047 ( -5.430 -3.344 -5.506) 8.425 8.202 ( 2.427 -4.426 -1.973) 5.419 14.725 ( -2.084 3.611 2.390) 4.805 14.776 ( -0.422 4.019 -3.353) 5.251 14.950 ( -2.360 2.412 3.372) 4.770 15.017 ( -1.681 -2.074 -2.059) 3.371 15.144 ( -0.495 -0.544 -2.182) 2.303 15.249 ( 2.382 -0.315 0.614) 2.480 15.313 ( -4.104 -0.894 -5.763) 7.131 15.450 ( 2.064 2.324 2.070) 3.734 15.516 ( -0.962 -5.267 1.272) 5.503 15.765 ( 9.735 -7.890 7.146) 14.426 16.167 ( -5.417 3.513 -2.205) 6.823 16.306 ( 2.330 0.016 -1.153) 2.600 16.757 ( -1.307 0.081 0.921) 1.601 16.762 ( -0.528 0.555 -1.004) 1.263 16.821 ( 0.260 -1.133 -0.127) 1.170 16.869 ( 1.195 -1.584 -0.080) 1.985 ======================= Grid point 82 (45/52) ======================= q-point: ( 0.40 0.29 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.754 ( -3.662 7.302 5.736) 9.982 0.836 ( -0.275 6.760 -2.467) 7.201 0.843 ( 2.299 1.858 -3.828) 4.837 0.962 ( 2.168 7.096 -7.268) 10.386 1.010 ( -1.799 0.852 3.576) 4.093 1.120 ( 1.018 6.195 3.203) 7.049 1.176 ( -0.857 4.649 6.139) 7.748 1.209 ( -2.236 4.057 -0.281) 4.641 1.274 ( -0.280 3.122 2.112) 3.780 1.300 ( 2.045 4.674 -2.411) 5.642 1.370 ( 6.686 -2.309 -0.221) 7.077 1.446 ( 1.556 5.970 0.275) 6.176 1.465 ( -1.136 2.389 2.152) 3.410 1.519 ( 0.870 2.707 -2.885) 4.051 1.546 ( 0.720 0.897 0.746) 1.371 1.618 ( -1.496 -2.508 0.968) 3.077 1.665 ( 2.750 0.283 3.697) 4.616 1.743 ( -2.458 3.468 -2.008) 4.701 1.781 ( 0.779 -1.300 -1.459) 2.104 1.792 ( -2.832 2.371 -0.108) 3.695 1.849 ( 2.369 -0.706 0.477) 2.517 1.917 ( 2.905 1.055 -4.086) 5.124 1.941 ( -0.948 2.355 0.142) 2.543 1.975 ( -0.194 0.393 -1.141) 1.223 2.035 ( -0.940 0.311 2.053) 2.279 2.045 ( 1.129 1.665 0.839) 2.179 2.074 ( 1.801 0.970 -0.420) 2.088 2.102 ( 2.641 1.375 -1.289) 3.244 2.120 ( -0.156 -1.816 2.036) 2.733 2.167 ( 0.626 -2.276 -1.713) 2.917 2.186 ( -3.856 0.625 -0.663) 3.963 2.226 ( -0.624 -1.756 -1.617) 2.467 2.291 ( -2.869 2.023 2.368) 4.235 2.353 ( -3.369 -4.167 -1.019) 5.455 2.365 ( 0.531 -2.476 -3.064) 3.975 2.396 ( 0.350 -1.125 -0.764) 1.404 2.422 ( -3.021 1.674 -0.732) 3.530 2.472 ( -0.597 0.514 -0.432) 0.898 2.507 ( 0.727 -1.617 -4.151) 4.514 2.519 ( 0.435 -4.136 0.809) 4.237 2.581 ( -1.319 -3.168 1.280) 3.663 2.650 ( 2.148 -5.519 -5.312) 7.955 2.733 ( 1.982 -1.902 3.894) 4.765 2.766 ( 0.763 -3.167 0.866) 3.371 2.836 ( -1.228 -1.620 -0.467) 2.086 2.851 ( 0.438 -1.745 4.872) 5.193 2.898 ( 0.426 -0.327 -2.426) 2.484 2.995 ( 2.276 -4.090 -0.993) 4.785 3.026 ( -2.443 0.115 -1.066) 2.668 3.094 ( -2.168 -1.511 -2.779) 3.835 3.221 ( 0.643 0.944 -1.641) 1.999 3.244 ( -2.271 0.132 -3.264) 3.979 3.308 ( 1.436 -1.119 2.417) 3.026 3.337 ( 0.625 0.476 -1.191) 1.426 3.373 ( 1.732 -2.040 0.281) 2.691 3.406 ( -2.801 -3.260 1.464) 4.541 3.490 ( 0.200 2.901 3.055) 4.218 3.532 ( -0.471 1.036 0.995) 1.512 3.631 ( -0.533 1.574 2.488) 2.992 3.690 ( -0.092 1.199 0.419) 1.273 3.927 ( 1.157 -1.038 0.651) 1.686 3.962 ( -0.130 -2.043 -0.090) 2.049 4.042 ( 2.154 -0.016 0.665) 2.254 4.074 ( 0.294 -2.210 0.105) 2.232 4.120 ( -3.237 -3.699 0.559) 4.947 4.127 ( -1.162 -2.012 -0.459) 2.368 4.217 ( -0.435 0.691 2.770) 2.888 4.280 ( 0.687 0.145 -1.842) 1.971 4.765 ( -0.658 -3.000 1.667) 3.495 4.783 ( 0.109 -2.928 -0.083) 2.932 4.914 ( 1.685 -4.577 0.903) 4.960 4.962 ( 1.176 -5.498 -1.771) 5.895 5.455 ( 1.552 2.513 2.424) 3.821 5.568 ( 0.438 -0.077 -3.703) 3.730 5.698 ( 4.393 -1.247 3.862) 5.981 5.737 ( 7.535 -5.684 -0.913) 9.482 5.867 ( -4.951 -1.481 4.945) 7.152 6.006 ( -1.161 -2.291 6.079) 6.599 6.130 ( -6.380 3.620 -9.158) 11.733 6.239 ( -3.795 -4.920 -6.200) 8.778 6.536 ( 1.686 -1.715 4.041) 4.702 6.677 ( -0.653 -1.679 -2.964) 3.468 6.872 ( -2.191 -0.603 9.567) 9.833 6.918 ( 7.238 -1.030 -1.158) 7.403 7.222 ( 4.109 4.921 1.196) 6.522 7.262 ( 3.123 3.658 10.390) 11.449 7.395 ( -2.388 2.537 1.880) 3.959 7.468 ( -3.991 8.463 -2.581) 9.706 7.547 ( -1.793 2.966 -1.964) 3.983 7.882 ( -6.351 -2.451 -11.671) 13.511 8.008 ( 6.115 -3.269 2.383) 7.332 8.179 ( -2.324 -3.954 -4.384) 6.345 14.700 ( -2.027 3.309 2.057) 4.392 14.745 ( 0.001 3.725 -3.092) 4.842 14.936 ( -1.026 0.797 1.853) 2.263 14.973 ( -1.765 -2.335 -1.275) 3.193 15.132 ( 0.235 -0.868 -0.994) 1.341 15.204 ( -2.104 -1.538 -4.360) 5.080 15.308 ( 1.266 0.720 1.822) 2.333 15.401 ( -1.233 -0.913 -3.976) 4.262 15.666 ( 7.561 0.903 9.784) 12.398 15.966 ( 3.119 -4.623 6.526) 8.584 16.043 ( -2.946 1.754 -2.146) 4.044 16.295 ( -1.192 -2.520 -5.547) 6.208 16.738 ( -1.074 0.553 0.698) 1.395 16.750 ( 0.025 0.899 -1.045) 1.379 16.837 ( 1.169 -1.429 0.270) 1.866 16.870 ( -0.770 -1.658 -0.534) 1.904 ======================= Grid point 83 (46/52) ======================= q-point: (-0.40 0.29 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.673 ( -6.043 8.090 6.512) 12.016 0.820 ( -4.686 7.978 4.155) 10.142 0.898 ( 7.638 4.933 -8.312) 12.319 0.959 ( 3.791 3.667 -5.501) 7.621 1.029 ( -3.546 -1.463 5.278) 6.525 1.109 ( -0.739 2.068 -0.262) 2.211 1.165 ( -0.040 7.745 3.691) 8.579 1.243 ( -1.777 8.785 -0.424) 8.973 1.262 ( 3.104 5.779 0.641) 6.591 1.324 ( 0.506 2.863 -1.538) 3.289 1.429 ( -3.619 4.057 -4.293) 6.928 1.443 ( 0.513 4.755 1.999) 5.184 1.477 ( -0.067 2.080 -0.612) 2.169 1.489 ( 1.897 4.294 -1.480) 4.922 1.590 ( 1.085 -1.256 4.908) 5.181 1.594 ( -1.976 0.028 -3.771) 4.257 1.687 ( 0.648 -0.943 0.377) 1.205 1.713 ( 0.533 -0.049 -1.430) 1.527 1.739 ( -3.767 1.131 2.923) 4.900 1.817 ( 0.363 0.426 -0.436) 0.710 1.846 ( -1.963 -0.599 1.318) 2.439 1.897 ( -1.378 0.646 -0.801) 1.720 1.924 ( -0.702 2.711 -0.143) 2.804 1.976 ( 1.611 0.198 -0.957) 1.884 2.012 ( -2.479 0.013 3.907) 4.627 2.065 ( -4.369 -0.379 -1.379) 4.597 2.089 ( 0.485 -0.233 0.017) 0.538 2.106 ( 0.256 -0.383 0.774) 0.901 2.130 ( 2.687 -0.269 -3.379) 4.326 2.157 ( 0.835 0.585 0.668) 1.218 2.176 ( 0.171 0.855 -1.100) 1.404 2.215 ( 0.969 -2.033 1.513) 2.713 2.273 ( 0.736 -0.599 0.633) 1.141 2.320 ( -2.676 -1.916 2.217) 3.968 2.365 ( 0.615 -2.891 0.084) 2.957 2.386 ( 1.525 -2.491 -3.859) 4.840 2.413 ( 0.250 -2.623 0.444) 2.672 2.466 ( -2.248 -0.699 3.414) 4.147 2.489 ( 1.549 -2.444 -0.319) 2.911 2.548 ( 4.736 0.022 -3.105) 5.663 2.593 ( 1.854 -3.353 -3.560) 5.230 2.667 ( 3.940 -4.136 -4.945) 7.555 2.745 ( -1.709 -5.143 -1.086) 5.527 2.792 ( 1.870 -2.974 2.602) 4.372 2.853 ( 0.852 -0.738 -1.498) 1.875 2.889 ( -0.134 -1.216 -2.703) 2.967 2.912 ( 2.916 0.486 4.044) 5.010 2.943 ( 0.339 -1.931 -1.484) 2.458 3.021 ( -3.269 -1.494 -0.931) 3.713 3.090 ( 3.488 -1.413 -0.912) 3.872 3.188 ( -1.900 1.102 0.815) 2.343 3.223 ( 0.205 0.988 -1.368) 1.700 3.309 ( -1.953 -0.550 1.679) 2.634 3.341 ( -2.740 -1.002 -0.491) 2.959 3.365 ( 1.165 -1.793 0.429) 2.181 3.435 ( 4.007 -2.977 -1.121) 5.116 3.512 ( -0.385 2.506 2.527) 3.580 3.520 ( -0.814 2.162 0.648) 2.399 3.650 ( -0.377 1.651 4.194) 4.523 3.666 ( -1.907 2.083 -0.848) 2.949 3.929 ( -1.906 -0.725 0.472) 2.093 3.967 ( 1.099 -1.625 -0.708) 2.086 4.038 ( -3.003 -0.252 0.933) 3.155 4.075 ( -1.618 -2.321 0.228) 2.839 4.102 ( 3.103 -2.412 1.765) 4.309 4.142 ( 2.328 -4.067 -1.499) 4.920 4.223 ( -1.335 0.421 2.805) 3.135 4.275 ( 0.514 -0.705 -1.898) 2.089 4.769 ( -0.117 -2.922 1.209) 3.164 4.787 ( 0.536 -2.769 -0.433) 2.853 4.932 ( -0.980 -5.383 0.506) 5.494 4.946 ( -0.841 -4.834 -1.520) 5.137 5.478 ( -1.961 1.290 2.254) 3.254 5.540 ( 0.730 2.108 -3.269) 3.958 5.691 ( -7.612 -5.695 2.943) 9.952 5.780 ( -4.233 -2.342 -3.701) 6.091 5.874 ( 0.631 3.289 7.880) 8.562 6.006 ( 3.785 1.478 -1.515) 4.336 6.088 ( 0.684 -4.331 3.423) 5.562 6.180 ( 2.885 -4.726 -4.146) 6.917 6.579 ( -0.681 -3.141 4.722) 5.712 6.624 ( -1.730 -1.716 -3.481) 4.249 6.856 ( -4.113 -5.522 5.547) 8.842 7.046 ( 7.779 -4.613 -7.778) 11.929 7.280 ( -2.813 8.709 -2.671) 9.534 7.294 ( 1.735 9.278 3.036) 9.915 7.412 ( -0.851 7.873 -0.584) 7.940 7.453 ( 5.561 5.795 1.386) 8.150 7.623 ( 6.327 -0.478 12.291) 13.832 7.683 ( -5.094 -2.431 -12.812) 14.001 8.073 ( -5.765 -3.054 -4.103) 7.707 8.112 ( 3.221 -4.042 2.431) 5.712 14.691 ( -0.504 3.019 2.374) 3.874 14.746 ( 2.029 3.663 -2.421) 4.837 14.910 ( -2.306 -1.197 1.818) 3.171 14.988 ( 3.663 -1.152 -0.639) 3.892 15.142 ( 0.601 -0.750 1.787) 2.029 15.158 ( -0.572 -0.495 -2.780) 2.881 15.334 ( -0.106 0.165 1.556) 1.568 15.373 ( 1.093 -0.798 -3.540) 3.790 15.829 ( -6.576 1.553 -5.446) 8.678 15.879 ( 7.049 3.946 6.750) 10.527 16.107 ( -4.812 -4.451 4.418) 7.905 16.227 ( 1.723 -5.073 -4.359) 6.907 16.731 ( -0.268 0.792 0.910) 1.236 16.752 ( 0.856 0.777 -0.797) 1.404 16.844 ( -1.534 -1.313 -0.436) 2.066 16.858 ( 0.653 -1.752 0.676) 1.988 ======================= Grid point 84 (47/52) ======================= q-point: (-0.20 0.29 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.665 ( -0.905 6.404 9.103) 11.167 0.772 ( -4.907 8.535 6.623) 11.866 0.889 ( -0.631 3.032 -6.139) 6.876 0.983 ( 4.207 4.140 -5.360) 7.974 1.085 ( 1.853 2.018 4.423) 5.203 1.093 ( -1.549 4.558 1.881) 5.169 1.149 ( -5.423 9.645 -0.141) 11.066 1.202 ( 2.149 6.850 -1.449) 7.324 1.298 ( -2.482 2.071 -8.631) 9.216 1.317 ( 2.212 2.217 -1.107) 3.321 1.333 ( -0.005 3.926 -0.825) 4.012 1.420 ( -5.214 6.479 1.984) 8.549 1.484 ( 0.799 2.354 -0.270) 2.500 1.521 ( 0.436 3.038 -1.831) 3.573 1.548 ( 3.682 1.228 -3.335) 5.118 1.605 ( -2.220 -2.124 0.651) 3.141 1.673 ( -3.345 -0.312 4.985) 6.012 1.718 ( -0.867 1.707 2.487) 3.138 1.726 ( -3.080 -0.416 1.151) 3.314 1.781 ( 5.013 -2.781 -4.928) 7.560 1.859 ( 0.358 3.228 1.366) 3.523 1.891 ( 0.433 -1.517 -0.005) 1.577 1.920 ( -3.470 1.184 -0.393) 3.687 1.957 ( -2.317 0.250 -1.549) 2.799 1.985 ( -0.989 0.511 3.613) 3.781 2.017 ( -0.583 0.388 1.706) 1.844 2.072 ( 0.548 -0.640 -2.032) 2.200 2.080 ( -3.806 -3.516 -1.132) 5.303 2.110 ( -0.806 1.711 1.687) 2.534 2.164 ( -0.238 0.339 -3.430) 3.455 2.238 ( 3.046 -0.084 2.413) 3.887 2.252 ( 0.794 1.813 4.117) 4.568 2.318 ( 2.917 -4.326 1.806) 5.522 2.346 ( 3.202 -1.197 3.770) 5.089 2.384 ( 1.594 -1.549 -0.181) 2.230 2.400 ( 2.081 -2.544 -1.848) 3.771 2.421 ( -0.062 -1.574 0.938) 1.834 2.454 ( -1.396 -0.794 3.653) 3.991 2.520 ( 1.505 -4.127 0.298) 4.403 2.584 ( 1.701 -3.667 -5.046) 6.466 2.641 ( 6.015 4.027 -7.483) 10.411 2.696 ( 0.271 -6.352 -2.238) 6.740 2.726 ( 2.435 0.272 -2.340) 3.388 2.783 ( -2.388 -4.643 -2.181) 5.658 2.833 ( -1.315 1.224 -2.729) 3.267 2.885 ( -0.133 -3.207 -1.110) 3.396 2.939 ( 0.037 -3.568 -0.345) 3.585 2.963 ( 2.138 -0.414 -1.569) 2.684 3.062 ( 4.329 -0.817 4.906) 6.594 3.083 ( -0.965 -0.645 -0.938) 1.492 3.208 ( -1.829 -0.023 2.076) 2.767 3.211 ( 0.326 0.192 1.098) 1.161 3.278 ( -0.336 -1.253 0.714) 1.481 3.308 ( -0.966 0.337 1.140) 1.532 3.391 ( 0.636 -1.326 0.290) 1.499 3.468 ( 0.304 -0.125 -2.240) 2.264 3.500 ( -0.054 1.880 0.069) 1.882 3.528 ( -0.350 0.349 0.230) 0.545 3.626 ( -1.382 2.366 1.412) 3.082 3.667 ( -0.930 -0.367 2.840) 3.011 3.908 ( -0.332 -0.954 1.129) 1.515 3.973 ( 0.214 -2.408 0.040) 2.418 4.006 ( -1.563 1.104 1.107) 2.211 4.052 ( -0.571 -0.358 -1.917) 2.032 4.162 ( 1.396 -1.718 1.882) 2.905 4.173 ( 2.020 -3.959 -0.170) 4.448 4.209 ( -1.045 0.021 0.894) 1.375 4.270 ( -0.420 0.006 -0.952) 1.040 4.775 ( 0.079 -2.615 0.791) 2.733 4.796 ( 0.710 -2.738 -0.179) 2.835 4.890 ( -2.136 -4.453 -1.072) 5.054 4.925 ( -1.580 -5.306 -0.659) 5.575 5.448 ( -0.664 -0.375 0.124) 0.773 5.530 ( -1.392 0.813 -0.893) 1.843 5.550 ( -8.173 -2.812 1.842) 8.837 5.645 ( -6.156 -2.485 -2.567) 7.118 5.936 ( 1.114 0.420 4.768) 4.914 6.037 ( -0.747 -0.574 3.483) 3.608 6.180 ( 6.386 -1.028 1.529) 6.647 6.259 ( 4.223 -6.544 2.988) 8.341 6.550 ( -1.069 -0.281 -3.322) 3.501 6.614 ( -0.885 1.247 3.496) 3.816 6.832 ( -1.316 -4.596 3.514) 5.934 7.012 ( -3.265 3.205 -11.629) 12.496 7.184 ( -3.922 5.689 -5.877) 9.071 7.331 ( -0.415 5.952 -5.552) 8.151 7.468 ( 5.720 5.216 2.804) 8.233 7.513 ( 1.033 -0.973 -1.015) 1.745 7.589 ( 4.596 6.465 -1.677) 8.108 7.857 ( 2.606 -3.440 7.590) 8.732 7.943 ( -0.824 -1.449 0.286) 1.691 8.160 ( 0.236 -4.192 2.121) 4.704 14.710 ( 0.384 3.217 3.114) 4.494 14.774 ( 2.294 3.788 -2.081) 4.893 14.905 ( 0.138 -0.048 2.715) 2.719 15.070 ( 5.188 -2.998 -0.560) 6.018 15.131 ( -0.255 1.030 -2.109) 2.361 15.191 ( 2.207 -1.171 4.240) 4.922 15.305 ( -2.419 0.276 -2.574) 3.543 15.412 ( 4.089 0.528 1.052) 4.255 15.646 ( -6.777 -1.499 -8.077) 10.649 15.915 ( -11.307 -5.449 -7.751) 14.752 16.069 ( 7.054 3.714 7.420) 10.891 16.274 ( 0.670 -2.508 2.719) 3.759 16.741 ( 0.529 0.468 1.241) 1.428 16.768 ( 1.236 0.319 -0.394) 1.336 16.821 ( -0.526 -0.816 -0.081) 0.974 16.861 ( -0.920 -1.811 0.637) 2.129 ======================= Grid point 85 (48/52) ======================= q-point: ( 0.00 0.43 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.788 ( 0.487 2.304 2.996) 3.811 0.803 ( -1.598 1.208 2.592) 3.276 0.975 ( -1.471 2.222 4.554) 5.276 1.007 ( -0.406 -1.590 6.903) 7.096 1.126 ( -4.774 5.361 -5.071) 8.788 1.168 ( 0.897 1.273 -3.591) 3.914 1.223 ( 0.912 2.598 0.470) 2.793 1.251 ( -2.009 0.186 -2.185) 2.974 1.335 ( 0.035 1.788 1.889) 2.601 1.366 ( -0.080 -0.626 -1.646) 1.763 1.393 ( -1.154 5.706 -2.133) 6.200 1.424 ( 0.627 4.979 -3.233) 5.969 1.492 ( -0.176 -1.236 -2.708) 2.982 1.518 ( -2.159 -0.225 -3.890) 4.455 1.575 ( 2.502 -4.330 0.442) 5.021 1.590 ( -0.162 -5.244 -0.815) 5.310 1.654 ( -1.632 4.642 -0.642) 4.963 1.668 ( 2.554 3.483 -1.767) 4.667 1.760 ( 1.832 -0.177 2.136) 2.819 1.812 ( 4.052 -4.123 -2.347) 6.239 1.885 ( 0.038 2.952 4.809) 5.643 1.921 ( -0.664 1.330 1.259) 1.948 1.941 ( -0.124 2.672 2.301) 3.528 1.986 ( 0.767 4.371 -0.156) 4.440 1.999 ( -1.438 -1.795 1.290) 2.637 2.004 ( -0.887 1.142 1.733) 2.258 2.057 ( -1.200 -0.087 0.650) 1.367 2.078 ( 2.639 0.741 0.515) 2.789 2.109 ( -0.149 -0.697 -3.834) 3.900 2.127 ( -0.276 0.308 -3.141) 3.168 2.192 ( -0.292 -4.029 0.078) 4.041 2.233 ( 0.612 -7.413 -4.097) 8.492 2.302 ( 1.101 0.061 4.229) 4.371 2.344 ( 0.052 -2.223 2.708) 3.504 2.406 ( -0.718 0.941 1.124) 1.632 2.428 ( 1.562 -1.421 -1.923) 2.856 2.475 ( 1.118 0.002 1.536) 1.900 2.484 ( 2.080 -1.097 2.926) 3.753 2.515 ( -0.283 5.540 6.258) 8.363 2.563 ( 0.368 1.180 0.071) 1.238 2.595 ( 1.195 -3.142 -1.179) 3.563 2.651 ( -2.959 -2.404 1.769) 4.202 2.686 ( 1.271 2.274 -8.560) 8.947 2.716 ( -0.814 -1.125 -5.559) 5.730 2.793 ( -1.689 0.619 -1.592) 2.402 2.852 ( 2.757 -1.719 -4.078) 5.214 2.931 ( 0.455 -0.603 1.180) 1.401 2.945 ( -2.103 -1.559 -0.679) 2.705 3.104 ( -2.704 1.404 1.319) 3.320 3.127 ( 4.029 -0.035 -0.108) 4.031 3.138 ( -2.622 -1.439 0.178) 2.996 3.144 ( 1.435 -2.138 0.229) 2.585 3.326 ( 0.289 0.489 1.740) 1.831 3.342 ( 0.079 -0.616 1.222) 1.371 3.387 ( 0.819 1.750 1.049) 2.199 3.426 ( -0.088 -1.494 -2.389) 2.819 3.512 ( -1.166 0.845 0.483) 1.518 3.520 ( -0.556 -0.291 -0.031) 0.629 3.625 ( -0.970 -0.902 1.215) 1.798 3.628 ( -0.795 -0.957 0.941) 1.560 3.908 ( 0.221 -0.311 0.544) 0.664 3.925 ( -0.365 -1.899 -1.105) 2.227 4.021 ( -0.036 1.127 0.265) 1.158 4.034 ( -0.572 0.092 -1.093) 1.237 4.168 ( 0.755 0.505 2.236) 2.413 4.186 ( -1.066 -0.702 0.488) 1.366 4.225 ( 1.731 0.993 2.294) 3.040 4.245 ( -0.762 -0.592 0.251) 0.997 4.741 ( -0.311 -1.098 0.737) 1.358 4.751 ( -0.120 -1.961 -0.166) 1.971 4.792 ( -0.305 -1.675 -0.312) 1.731 4.807 ( 0.087 -2.946 -1.648) 3.377 5.453 ( 1.507 0.052 2.190) 2.659 5.466 ( 2.223 -1.138 1.418) 2.872 5.498 ( -2.261 0.098 -1.916) 2.966 5.504 ( -2.440 -0.651 -2.860) 3.815 5.982 ( -2.031 0.382 5.207) 5.602 6.000 ( -2.686 -1.376 3.895) 4.927 6.210 ( 1.426 -1.973 -0.578) 2.502 6.218 ( 2.842 -2.615 -1.180) 4.038 6.683 ( 2.560 4.651 5.631) 7.739 6.729 ( 0.592 3.214 -0.491) 3.304 6.849 ( 3.254 3.174 9.259) 10.315 6.940 ( -1.725 -0.728 -2.565) 3.176 7.150 ( -3.600 1.713 -8.949) 9.797 7.179 ( -4.823 -2.481 -11.672) 12.871 7.537 ( 1.544 -1.030 2.534) 3.141 7.569 ( -2.641 -3.573 -0.946) 4.542 7.812 ( -0.015 9.328 3.189) 9.858 7.861 ( 2.824 8.214 -2.062) 8.928 7.999 ( 4.141 -6.867 2.832) 8.504 8.029 ( -1.095 -6.779 -0.698) 6.903 14.802 ( -0.769 3.156 4.165) 5.282 14.840 ( -0.060 0.191 2.249) 2.258 14.962 ( 1.084 2.356 -0.121) 2.596 15.033 ( 1.567 -3.855 -4.980) 6.490 15.188 ( 2.144 1.277 1.930) 3.155 15.205 ( -0.360 0.035 0.966) 1.031 15.340 ( 2.719 2.703 2.897) 4.805 15.422 ( -0.838 -4.777 -1.833) 5.185 15.503 ( -1.185 2.064 -3.287) 4.058 15.573 ( -7.403 -4.361 -7.554) 11.441 16.250 ( 1.883 1.538 3.326) 4.120 16.271 ( 0.963 -0.540 1.145) 1.591 16.772 ( -0.086 1.144 1.033) 1.544 16.787 ( 0.190 0.957 -0.612) 1.152 16.801 ( -0.438 -1.677 0.631) 1.844 16.812 ( 0.579 -1.403 -0.402) 1.570 ======================= Grid point 86 (49/52) ======================= q-point: ( 0.20 0.43 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.824 ( 2.407 3.951 2.987) 5.507 0.883 ( 5.919 -1.946 1.791) 6.483 0.963 ( -3.118 5.859 0.546) 6.659 1.017 ( -2.459 5.107 0.731) 5.715 1.074 ( 0.333 -3.676 8.665) 9.419 1.122 ( -1.960 -3.473 0.643) 4.040 1.209 ( -1.694 4.703 -0.890) 5.077 1.257 ( 0.929 1.218 0.191) 1.544 1.306 ( -2.589 2.089 0.174) 3.332 1.325 ( -3.983 0.224 0.250) 3.997 1.403 ( 3.837 4.789 1.614) 6.345 1.465 ( 4.357 -1.019 0.760) 4.538 1.473 ( 0.567 4.569 -1.316) 4.788 1.564 ( 3.860 1.843 0.012) 4.277 1.587 ( 1.812 -2.473 -1.483) 3.406 1.611 ( -0.680 0.824 -0.985) 1.453 1.644 ( 1.685 0.487 -1.408) 2.249 1.697 ( 2.423 0.489 -1.325) 2.805 1.767 ( 0.639 -0.568 -2.853) 2.979 1.827 ( 1.056 -3.229 -5.096) 6.124 1.913 ( -0.686 3.456 2.575) 4.364 1.925 ( -2.102 3.042 3.234) 4.913 1.971 ( 2.720 0.017 -2.054) 3.408 1.987 ( -1.681 -1.300 1.321) 2.502 1.993 ( -0.068 2.917 0.501) 2.960 2.024 ( 2.876 0.948 -0.623) 3.092 2.033 ( 0.445 -1.524 1.049) 1.903 2.104 ( 1.532 1.008 -2.812) 3.357 2.111 ( 1.692 -2.546 -2.042) 3.677 2.130 ( 1.397 0.629 0.330) 1.567 2.159 ( -1.958 -2.804 -1.066) 3.582 2.213 ( -1.369 -5.240 -1.185) 5.544 2.319 ( -2.208 -0.849 0.281) 2.382 2.345 ( -1.390 -2.858 0.958) 3.320 2.365 ( -1.708 1.015 -0.793) 2.139 2.401 ( -2.181 -2.958 -1.016) 3.813 2.471 ( -4.571 1.930 -0.403) 4.978 2.502 ( -0.834 -0.055 -4.595) 4.671 2.530 ( -0.618 0.866 -1.608) 1.928 2.551 ( -1.456 -1.209 -0.574) 1.978 2.594 ( 1.481 0.670 5.174) 5.424 2.632 ( -2.109 -1.162 3.320) 4.101 2.654 ( 1.360 4.591 -5.515) 7.304 2.709 ( 2.352 -0.184 -1.402) 2.745 2.789 ( 1.336 1.085 0.974) 1.978 2.871 ( 2.185 -4.561 -4.545) 6.799 2.913 ( -1.648 0.948 1.558) 2.458 2.933 ( -2.990 -0.424 1.471) 3.359 3.049 ( -1.876 -1.179 1.881) 2.906 3.071 ( -0.854 -2.041 -1.224) 2.529 3.189 ( 1.720 -0.117 -0.306) 1.751 3.211 ( 2.320 -1.216 -0.578) 2.683 3.323 ( -1.516 0.067 0.271) 1.542 3.337 ( -0.869 -1.668 1.601) 2.470 3.376 ( -1.263 2.031 -2.063) 3.158 3.404 ( -1.163 -0.755 -1.021) 1.722 3.510 ( 0.126 1.082 2.197) 2.452 3.522 ( 0.345 -0.271 1.506) 1.569 3.632 ( 0.246 -0.243 2.195) 2.222 3.644 ( 1.440 -1.387 1.778) 2.676 3.906 ( -0.168 -0.174 0.101) 0.262 3.921 ( 0.110 -1.656 0.349) 1.696 4.024 ( 0.044 0.335 0.751) 0.823 4.028 ( 0.282 -0.170 0.142) 0.359 4.142 ( -3.269 -0.136 -0.358) 3.292 4.152 ( -3.165 -0.779 0.621) 3.318 4.243 ( 0.473 1.833 -0.164) 1.900 4.270 ( 1.333 -0.570 -0.026) 1.450 4.732 ( -1.030 -0.921 0.969) 1.688 4.740 ( -0.722 -1.576 0.312) 1.761 4.805 ( 1.656 -1.778 0.012) 2.430 4.828 ( 2.270 -3.780 -0.763) 4.475 5.470 ( 1.466 2.130 -0.548) 2.643 5.506 ( 3.957 -1.800 -1.434) 4.577 5.537 ( 5.087 -0.737 1.704) 5.416 5.554 ( 4.930 -1.681 2.065) 5.603 5.939 ( -5.487 0.926 4.468) 7.136 5.969 ( -3.996 -1.863 5.488) 7.040 6.209 ( -0.179 -0.961 -3.364) 3.503 6.240 ( 0.649 -3.956 -3.879) 5.579 6.693 ( -2.473 7.570 -3.213) 8.588 6.747 ( 0.862 2.583 -1.412) 3.067 6.845 ( -3.771 2.490 -1.440) 4.743 6.903 ( -4.102 -1.553 -1.425) 4.612 7.112 ( 3.821 0.306 8.229) 9.078 7.152 ( 3.397 -2.642 3.657) 5.647 7.498 ( -4.125 1.481 0.750) 4.446 7.567 ( -0.402 -3.924 2.073) 4.457 7.779 ( -3.031 9.815 -1.744) 10.420 7.916 ( 3.435 4.455 -3.898) 6.844 7.952 ( -3.564 -4.189 -2.877) 6.207 8.078 ( 2.236 -7.565 -1.565) 8.042 14.797 ( -2.496 3.266 3.227) 5.226 14.833 ( -1.552 0.634 0.151) 1.683 14.959 ( -1.300 0.533 -0.091) 1.408 14.996 ( -0.842 -1.660 -6.413) 6.678 15.151 ( -2.400 2.121 -0.511) 3.243 15.212 ( -1.714 -3.141 -1.652) 3.941 15.335 ( -1.209 2.931 -2.309) 3.922 15.414 ( -1.494 -4.672 -2.103) 5.337 15.522 ( 6.295 4.561 6.211) 9.950 15.628 ( 8.354 -5.955 8.079) 13.059 16.233 ( -3.089 3.027 -2.278) 4.888 16.285 ( -0.203 -1.984 -2.084) 2.884 16.768 ( -0.761 0.978 0.534) 1.349 16.785 ( -0.207 1.090 -0.534) 1.231 16.796 ( 0.206 -0.767 0.094) 0.799 16.829 ( 0.820 -2.215 -0.411) 2.398 ======================= Grid point 87 (50/52) ======================= q-point: ( 0.40 0.43 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.880 ( 1.490 2.581 2.169) 3.686 0.924 ( 0.283 2.909 0.667) 2.998 0.940 ( -4.507 5.731 3.778) 8.212 1.027 ( 2.843 4.485 0.033) 5.310 1.077 ( -1.622 1.825 -1.677) 2.962 1.122 ( 1.634 -4.095 -0.806) 4.482 1.204 ( -3.592 -0.280 4.972) 6.140 1.241 ( -0.119 -4.157 -0.894) 4.254 1.316 ( 1.721 3.896 6.345) 7.641 1.346 ( 4.476 0.720 4.852) 6.641 1.455 ( 0.938 6.873 -2.881) 7.511 1.493 ( 2.117 2.157 5.058) 5.892 1.556 ( 1.544 0.713 1.319) 2.153 1.579 ( 0.013 1.490 -4.003) 4.271 1.615 ( 2.176 8.701 -1.900) 9.168 1.625 ( -0.559 1.420 -0.461) 1.594 1.635 ( 3.202 -2.904 0.205) 4.327 1.743 ( 2.237 0.104 0.802) 2.379 1.774 ( -0.029 -3.850 -2.153) 4.411 1.814 ( 1.074 -2.661 -1.083) 3.068 1.852 ( -4.141 3.130 -1.822) 5.502 1.914 ( -1.378 -0.974 -1.713) 2.405 1.960 ( 0.001 -1.019 0.394) 1.092 1.984 ( -0.346 2.801 -2.581) 3.825 2.004 ( -1.413 -3.250 3.259) 4.814 2.053 ( 1.867 -1.257 -1.087) 2.500 2.087 ( -1.735 -1.795 -2.094) 3.259 2.100 ( 4.051 1.036 -1.154) 4.337 2.110 ( -0.207 -1.929 -2.852) 3.449 2.128 ( -0.458 1.033 1.297) 1.720 2.173 ( -1.225 0.266 0.237) 1.276 2.195 ( 5.042 -1.837 -0.977) 5.455 2.256 ( -2.286 -2.157 -3.018) 4.357 2.269 ( -4.845 -3.353 -2.140) 6.269 2.355 ( -0.740 0.326 0.350) 0.881 2.365 ( -3.247 -0.185 -1.141) 3.446 2.391 ( -1.607 -1.176 2.861) 3.486 2.435 ( -2.968 -3.925 -0.752) 4.978 2.521 ( 0.114 -0.337 -3.254) 3.273 2.529 ( 0.644 -0.888 -4.800) 4.923 2.580 ( -2.392 5.227 3.450) 6.704 2.630 ( 2.370 4.103 -5.582) 7.321 2.698 ( 2.123 -0.532 2.110) 3.040 2.754 ( 1.807 -1.192 -0.409) 2.203 2.819 ( -0.018 -0.048 0.106) 0.118 2.837 ( -0.944 -0.654 0.395) 1.214 2.902 ( 0.198 -0.424 0.825) 0.948 2.907 ( -1.038 -2.090 0.798) 2.466 3.054 ( -0.539 1.832 0.884) 2.104 3.079 ( 1.711 0.772 0.700) 2.003 3.196 ( 0.699 -2.101 -0.535) 2.278 3.227 ( 0.172 -5.163 0.174) 5.168 3.292 ( -2.149 1.993 0.059) 2.931 3.327 ( -1.439 -1.476 1.025) 2.302 3.351 ( 0.717 0.475 -2.995) 3.116 3.364 ( -1.537 -0.904 -1.830) 2.555 3.536 ( 0.261 1.369 3.120) 3.417 3.545 ( 0.315 0.246 2.587) 2.618 3.657 ( 0.554 1.267 2.682) 3.017 3.684 ( 1.151 -1.278 1.337) 2.179 3.917 ( 0.723 -0.015 0.901) 1.155 3.928 ( 0.430 -1.165 0.454) 1.322 4.037 ( 0.429 -0.527 1.041) 1.243 4.041 ( 1.038 -1.085 0.369) 1.546 4.080 ( -2.598 -0.133 -0.505) 2.650 4.091 ( -3.099 -1.128 -0.506) 3.336 4.242 ( -0.540 1.594 0.144) 1.689 4.271 ( -0.393 -1.106 -1.391) 1.820 4.726 ( -0.461 -0.621 1.415) 1.613 4.737 ( 0.059 -1.469 0.362) 1.514 4.833 ( 1.065 -2.282 0.206) 2.527 4.854 ( 1.149 -4.146 -1.297) 4.494 5.523 ( 3.193 3.955 0.923) 5.166 5.575 ( 2.075 0.416 -0.600) 2.199 5.626 ( 2.979 -3.562 1.020) 4.754 5.643 ( 3.296 -3.722 1.272) 5.132 5.896 ( -1.850 2.877 6.967) 7.761 5.953 ( -1.729 -2.715 7.602) 8.256 6.152 ( -2.687 -0.125 -6.877) 7.385 6.172 ( -3.127 -2.170 -7.180) 8.126 6.621 ( -3.355 8.247 0.684) 8.930 6.707 ( -0.796 4.140 -4.989) 6.532 6.791 ( -6.428 -6.467 2.647) 9.495 6.837 ( 3.746 -6.439 -6.735) 10.043 7.290 ( 7.388 2.060 10.040) 12.634 7.309 ( 6.591 0.184 13.264) 14.813 7.462 ( -1.126 5.832 3.734) 7.015 7.551 ( -1.674 -0.962 0.115) 1.935 7.687 ( -4.281 7.845 -6.012) 10.771 7.812 ( -5.117 -4.630 -10.162) 12.283 7.976 ( 2.959 1.485 -0.510) 3.350 8.069 ( -1.145 -6.324 -3.397) 7.270 14.767 ( -2.587 3.085 2.645) 4.817 14.800 ( -1.415 0.674 -0.419) 1.622 14.924 ( -1.640 -0.029 -1.146) 2.001 14.949 ( 0.411 -1.313 -5.056) 5.240 15.128 ( -0.435 0.874 0.349) 1.037 15.164 ( -1.285 -2.270 -1.901) 3.228 15.327 ( 0.360 1.373 -0.189) 1.432 15.366 ( -1.223 -2.291 -2.374) 3.519 15.730 ( 8.652 4.976 10.764) 14.679 15.845 ( 7.721 -6.195 11.127) 14.893 16.124 ( -5.609 4.913 -6.452) 9.861 16.222 ( -3.587 -4.559 -6.662) 8.834 16.761 ( -0.352 1.543 0.544) 1.674 16.777 ( -0.133 1.265 -0.748) 1.475 16.805 ( 0.619 -1.195 0.238) 1.367 16.829 ( -0.341 -2.234 -0.682) 2.361 ======================= Grid point 88 (51/52) ======================= q-point: (-0.40 0.43 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.853 ( -5.528 8.273 2.426) 10.241 0.913 ( 0.448 2.626 2.596) 3.719 0.973 ( -1.550 -1.320 6.458) 6.771 1.029 ( -1.128 0.212 0.010) 1.148 1.048 ( 3.399 6.593 -5.558) 9.269 1.112 ( -2.494 -1.679 0.936) 3.149 1.211 ( 2.838 -0.247 0.849) 2.972 1.281 ( 3.004 -3.303 -0.484) 4.491 1.369 ( 0.027 6.126 2.547) 6.635 1.435 ( 1.197 2.280 -0.248) 2.587 1.484 ( 0.846 1.409 -5.175) 5.430 1.493 ( 1.629 0.288 -0.187) 1.665 1.536 ( -2.882 4.952 -1.200) 5.853 1.585 ( -0.442 0.730 0.229) 0.884 1.595 ( 0.594 1.246 0.280) 1.409 1.629 ( -0.678 5.022 -1.752) 5.362 1.677 ( -0.284 -1.426 1.779) 2.298 1.738 ( -1.701 5.650 -4.729) 7.562 1.775 ( -5.419 -5.423 -0.542) 7.686 1.787 ( -2.572 3.051 2.044) 4.484 1.822 ( 4.386 -0.868 3.187) 5.491 1.894 ( 0.672 -3.770 -3.272) 5.037 1.956 ( -0.772 -0.551 -0.050) 0.950 1.961 ( -0.334 0.214 0.678) 0.786 1.998 ( -1.020 -1.252 3.948) 4.266 2.022 ( -1.567 -3.398 1.687) 4.105 2.063 ( -3.739 0.112 -0.730) 3.811 2.086 ( 1.291 -1.559 0.503) 2.086 2.122 ( 0.113 0.789 -3.342) 3.436 2.155 ( 2.311 -2.073 -1.055) 3.279 2.180 ( -2.211 0.060 -1.091) 2.466 2.198 ( -0.285 0.701 2.012) 2.150 2.220 ( 1.364 -0.870 -1.830) 2.443 2.268 ( 3.197 -5.306 -2.570) 6.707 2.346 ( 1.176 -0.787 0.468) 1.491 2.354 ( 1.415 -1.121 -0.042) 1.806 2.380 ( -0.974 0.848 4.627) 4.803 2.421 ( -0.488 -2.341 3.961) 4.627 2.492 ( -2.124 2.373 0.016) 3.185 2.513 ( 2.451 -1.361 -6.407) 6.993 2.594 ( 2.686 1.511 -2.869) 4.210 2.659 ( 4.277 2.047 -3.799) 6.076 2.703 ( -1.943 1.371 -0.026) 2.378 2.773 ( 3.276 -0.300 -1.471) 3.603 2.826 ( -1.947 -4.157 -0.806) 4.661 2.836 ( 0.449 -3.310 0.533) 3.382 2.898 ( 0.469 1.196 1.390) 1.893 2.930 ( 2.186 -0.689 -0.568) 2.361 3.060 ( -0.013 4.895 2.181) 5.359 3.104 ( 1.102 2.977 -2.841) 4.259 3.196 ( -2.173 -3.141 -0.738) 3.890 3.211 ( -0.098 -2.102 1.277) 2.462 3.283 ( -1.046 -0.064 1.576) 1.893 3.304 ( -0.065 -2.569 0.998) 2.757 3.354 ( 1.160 -0.208 -1.682) 2.053 3.363 ( 2.813 -1.971 -1.693) 3.830 3.547 ( -1.139 1.082 2.588) 3.028 3.554 ( -1.061 0.649 1.577) 2.008 3.675 ( -0.813 1.090 2.203) 2.589 3.687 ( -1.234 0.141 -0.236) 1.264 3.924 ( -0.747 0.076 0.284) 0.803 3.935 ( 0.080 -1.184 -0.285) 1.220 4.037 ( -1.172 -0.454 0.831) 1.507 4.052 ( -0.164 -1.139 -0.550) 1.276 4.066 ( 1.965 0.008 1.170) 2.287 4.082 ( 1.828 -1.285 0.176) 2.242 4.233 ( -1.043 0.707 1.435) 1.910 4.255 ( -0.229 -1.268 -0.420) 1.355 4.732 ( 0.091 -0.540 0.920) 1.071 4.744 ( 0.572 -1.432 -0.261) 1.564 4.837 ( -0.795 -2.768 0.118) 2.882 4.850 ( -0.342 -3.638 -1.311) 3.882 5.517 ( -4.502 2.455 1.536) 5.354 5.577 ( -4.200 -2.567 0.473) 4.945 5.611 ( -0.559 2.216 0.006) 2.285 5.694 ( 0.380 -4.744 -2.851) 5.548 5.943 ( -2.100 2.598 7.652) 8.349 5.988 ( -1.744 -2.407 7.917) 8.457 6.079 ( 3.512 1.671 -4.979) 6.318 6.115 ( 2.608 -2.134 -5.184) 6.183 6.586 ( -2.573 4.154 4.485) 6.632 6.692 ( 2.318 7.000 -3.737) 8.267 6.717 ( -3.862 -6.894 4.932) 9.315 6.886 ( 6.010 -10.091 -6.413) 13.382 7.438 ( -0.001 5.772 0.369) 5.784 7.449 ( 0.991 5.100 0.071) 5.196 7.529 ( 4.145 1.924 5.570) 7.205 7.540 ( 0.295 2.960 -1.200) 3.207 7.618 ( 3.636 0.460 4.927) 6.140 7.648 ( -3.250 -1.116 -9.726) 10.315 8.005 ( -3.277 -2.517 -3.088) 5.159 8.021 ( 1.645 -3.919 1.187) 4.413 14.754 ( -0.836 2.960 3.149) 4.402 14.792 ( 0.202 -0.026 1.091) 1.110 14.904 ( 0.682 1.424 -1.400) 2.110 14.952 ( 2.848 -2.443 -3.013) 4.812 15.133 ( 0.399 0.052 1.245) 1.308 15.143 ( -0.133 -0.802 -1.068) 1.342 15.333 ( -0.089 0.155 -0.204) 0.272 15.349 ( 1.164 -1.309 -1.167) 2.104 15.889 ( -5.132 4.224 -0.341) 6.655 15.959 ( 2.252 0.835 1.745) 2.969 16.029 ( -2.112 -0.259 2.461) 3.253 16.118 ( 2.227 -5.695 -2.744) 6.703 16.760 ( -0.266 1.834 0.693) 1.978 16.774 ( 0.405 1.133 -0.592) 1.341 16.811 ( -0.688 -1.609 -0.156) 1.757 16.820 ( 0.264 -1.866 0.079) 1.886 ======================= Grid point 89 (52/52) ======================= q-point: (-0.20 0.43 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.792 ( -3.323 5.889 3.723) 7.718 0.874 ( -7.207 -0.476 2.416) 7.617 0.954 ( 1.225 3.942 3.961) 5.721 1.023 ( -3.590 -0.436 -0.057) 3.617 1.115 ( 3.609 1.618 1.557) 4.250 1.132 ( 4.659 1.039 -0.430) 4.793 1.252 ( 1.515 0.375 -2.112) 2.626 1.300 ( 0.201 -0.875 -4.375) 4.466 1.343 ( -1.998 4.299 -1.179) 4.885 1.381 ( -2.131 2.944 -4.693) 5.936 1.429 ( -2.629 6.342 -3.131) 7.545 1.490 ( -1.613 3.733 -1.613) 4.375 1.548 ( -0.447 2.409 -2.555) 3.540 1.564 ( -0.819 -2.794 -2.777) 4.023 1.568 ( -1.747 -1.687 -0.104) 2.431 1.614 ( 0.440 4.598 -0.848) 4.696 1.652 ( -2.776 -5.961 -2.876) 7.177 1.692 ( 1.300 1.074 0.338) 1.719 1.704 ( -1.544 0.580 0.833) 1.848 1.755 ( -0.300 -1.239 1.093) 1.679 1.874 ( 0.077 0.247 2.698) 2.710 1.913 ( 0.399 -1.192 2.867) 3.130 1.957 ( -1.435 1.243 2.370) 3.037 1.964 ( -1.160 2.475 1.300) 3.027 2.002 ( 0.160 2.271 0.896) 2.446 2.021 ( 1.635 0.309 2.215) 2.771 2.032 ( -0.517 -1.436 -0.354) 1.567 2.071 ( -2.146 2.497 -0.394) 3.315 2.138 ( 0.678 -1.419 -2.052) 2.585 2.158 ( 0.417 -4.538 -1.494) 4.796 2.160 ( 0.606 -1.979 1.197) 2.391 2.221 ( 2.773 -3.521 -0.683) 4.534 2.270 ( 1.788 -1.571 1.876) 3.031 2.292 ( 1.041 -3.529 3.132) 4.832 2.376 ( 1.257 1.742 2.090) 2.997 2.390 ( 2.185 0.306 0.760) 2.334 2.438 ( 2.029 0.662 3.829) 4.383 2.449 ( 1.012 -0.565 1.551) 1.936 2.473 ( 0.211 3.093 2.228) 3.818 2.532 ( 4.353 -0.868 -5.969) 7.439 2.600 ( -0.869 -1.567 -0.925) 2.017 2.681 ( -0.177 -2.935 -0.286) 2.955 2.706 ( 1.985 1.178 -4.130) 4.732 2.758 ( -0.139 -2.081 -5.527) 5.907 2.827 ( -0.217 -0.478 -0.916) 1.056 2.837 ( 1.010 -0.605 -1.404) 1.833 2.923 ( 0.825 2.244 0.406) 2.425 2.963 ( 1.920 -0.541 -1.227) 2.342 3.064 ( -0.064 0.828 -0.051) 0.832 3.085 ( 0.923 0.101 -1.556) 1.812 3.175 ( -2.119 -1.733 1.166) 2.975 3.194 ( -1.895 -2.125 0.415) 2.878 3.303 ( 1.770 2.429 3.217) 4.403 3.313 ( -0.109 0.368 1.198) 1.258 3.365 ( 1.121 -0.182 -0.720) 1.345 3.416 ( 2.755 -3.768 -1.083) 4.792 3.534 ( -1.479 0.751 0.314) 1.688 3.536 ( -1.205 0.286 0.662) 1.404 3.650 ( -2.054 0.300 -0.029) 2.076 3.654 ( -2.233 -0.350 0.637) 2.349 3.907 ( -0.559 0.792 -0.150) 0.981 3.933 ( 0.090 -1.685 -0.686) 1.821 4.024 ( -0.523 1.005 0.267) 1.164 4.050 ( 0.022 -0.912 -1.320) 1.605 4.120 ( 2.614 -0.313 1.434) 2.998 4.137 ( 3.371 -1.176 2.113) 4.149 4.222 ( -1.395 1.423 1.804) 2.688 4.256 ( -0.576 -1.487 1.343) 2.085 4.737 ( 0.110 -0.717 0.345) 0.803 4.751 ( 0.358 -1.691 -0.516) 1.804 4.812 ( -1.394 -1.984 -0.622) 2.504 4.832 ( -0.965 -3.435 -1.128) 3.742 5.451 ( -2.773 0.758 1.243) 3.132 5.482 ( -4.752 -2.450 1.177) 5.474 5.573 ( -3.519 1.955 -2.190) 4.583 5.607 ( -5.747 -1.584 -3.203) 6.768 5.958 ( 0.399 1.651 4.117) 4.453 5.999 ( -0.745 -2.333 4.246) 4.902 6.160 ( 4.119 -0.841 0.415) 4.225 6.169 ( 3.234 -2.243 0.748) 4.006 6.604 ( 0.995 4.628 6.030) 7.666 6.707 ( 0.220 -1.440 3.132) 3.454 6.746 ( 2.918 5.170 3.359) 6.821 6.943 ( 3.941 -8.971 -5.077) 11.036 7.304 ( -5.595 5.599 -11.410) 13.887 7.375 ( -5.282 -1.222 -13.927) 14.945 7.504 ( 0.262 3.985 -0.338) 4.007 7.577 ( 1.618 -0.555 0.928) 1.946 7.716 ( 6.028 5.616 4.711) 9.490 7.805 ( 6.569 -2.335 7.672) 10.366 7.932 ( -2.046 2.375 -0.850) 3.248 8.044 ( -0.217 -6.850 1.539) 7.024 14.776 ( 0.255 2.994 4.197) 5.162 14.815 ( 0.676 -0.323 2.740) 2.840 14.929 ( 2.586 2.882 -1.056) 4.013 15.001 ( 4.108 -3.786 -2.460) 6.104 15.144 ( 0.968 0.686 0.020) 1.187 15.165 ( 1.784 -1.292 2.628) 3.429 15.327 ( -0.127 1.995 -0.806) 2.155 15.380 ( 2.399 -2.952 0.356) 3.821 15.685 ( -9.332 4.722 -9.454) 14.098 15.799 ( -10.290 -6.044 -9.130) 15.025 16.146 ( 5.505 3.770 6.555) 9.353 16.216 ( 3.194 -3.200 5.068) 6.792 16.763 ( 0.121 1.525 0.849) 1.749 16.782 ( 0.682 0.744 -0.201) 1.029 16.799 ( -0.291 -0.961 -0.201) 1.024 16.821 ( -0.517 -2.033 0.368) 2.130 =================== 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 3/18900 10.0 12.056 14.523 14.582 0.000 -0.138 0.000 3/18900 20.0 3.003 4.111 3.755 0.000 -0.159 0.000 3/18900 30.0 1.571 2.172 1.997 0.000 -0.114 0.000 3/18900 40.0 1.060 1.455 1.364 0.000 -0.085 0.000 3/18900 50.0 0.802 1.094 1.041 0.000 -0.067 0.000 3/18900 60.0 0.648 0.879 0.847 0.000 -0.054 0.000 3/18900 70.0 0.546 0.738 0.717 0.000 -0.044 0.000 3/18900 80.0 0.474 0.638 0.624 0.000 -0.037 0.000 3/18900 90.0 0.419 0.564 0.554 0.000 -0.031 0.000 3/18900 100.0 0.377 0.506 0.499 0.000 -0.027 0.000 3/18900 110.0 0.343 0.460 0.455 0.000 -0.023 0.000 3/18900 120.0 0.316 0.422 0.419 0.000 -0.020 0.000 3/18900 130.0 0.293 0.390 0.389 0.000 -0.017 0.000 3/18900 140.0 0.273 0.364 0.363 0.000 -0.015 0.000 3/18900 150.0 0.256 0.340 0.341 0.000 -0.013 0.000 3/18900 160.0 0.241 0.320 0.321 0.000 -0.011 0.000 3/18900 170.0 0.228 0.302 0.304 0.000 -0.009 0.000 3/18900 180.0 0.217 0.286 0.289 0.000 -0.008 0.000 3/18900 190.0 0.206 0.272 0.275 0.000 -0.007 0.000 3/18900 200.0 0.197 0.259 0.263 0.000 -0.006 0.000 3/18900 210.0 0.189 0.248 0.251 0.000 -0.005 0.000 3/18900 220.0 0.181 0.237 0.241 0.000 -0.004 0.000 3/18900 230.0 0.174 0.227 0.232 0.000 -0.004 0.000 3/18900 240.0 0.167 0.218 0.223 0.000 -0.003 0.000 3/18900 250.0 0.161 0.210 0.215 0.000 -0.003 0.000 3/18900 260.0 0.155 0.203 0.207 0.000 -0.002 0.000 3/18900 270.0 0.150 0.195 0.200 0.000 -0.002 0.000 3/18900 280.0 0.145 0.189 0.194 0.000 -0.002 0.000 3/18900 290.0 0.140 0.183 0.188 0.000 -0.001 0.000 3/18900 300.0 0.136 0.177 0.182 0.000 -0.001 0.000 3/18900 310.0 0.132 0.171 0.176 0.000 -0.001 0.000 3/18900 320.0 0.128 0.166 0.171 0.000 -0.001 0.000 3/18900 330.0 0.125 0.162 0.167 0.000 -0.000 0.000 3/18900 340.0 0.121 0.157 0.162 0.000 -0.000 0.000 3/18900 350.0 0.118 0.153 0.158 0.000 -0.000 0.000 3/18900 360.0 0.115 0.149 0.154 0.000 -0.000 0.000 3/18900 370.0 0.112 0.145 0.150 0.000 0.000 0.000 3/18900 380.0 0.109 0.141 0.146 0.000 0.000 0.000 3/18900 390.0 0.107 0.138 0.142 0.000 0.000 0.000 3/18900 400.0 0.104 0.134 0.139 0.000 0.000 0.000 3/18900 410.0 0.102 0.131 0.136 0.000 0.000 0.000 3/18900 420.0 0.099 0.128 0.133 0.000 0.001 0.000 3/18900 430.0 0.097 0.125 0.130 0.000 0.001 0.000 3/18900 440.0 0.095 0.122 0.127 0.000 0.001 0.000 3/18900 450.0 0.093 0.120 0.124 0.000 0.001 0.000 3/18900 460.0 0.091 0.117 0.122 0.000 0.001 0.000 3/18900 470.0 0.089 0.115 0.119 0.000 0.001 0.000 3/18900 480.0 0.087 0.113 0.117 0.000 0.001 0.000 3/18900 490.0 0.086 0.110 0.115 0.000 0.001 0.000 3/18900 500.0 0.084 0.108 0.113 0.000 0.001 0.000 3/18900 510.0 0.082 0.106 0.110 0.000 0.001 0.000 3/18900 520.0 0.081 0.104 0.108 0.000 0.001 0.000 3/18900 530.0 0.079 0.102 0.106 0.000 0.001 0.000 3/18900 540.0 0.078 0.100 0.104 0.000 0.001 0.000 3/18900 550.0 0.077 0.099 0.103 0.000 0.001 0.000 3/18900 560.0 0.075 0.097 0.101 0.000 0.001 0.000 3/18900 570.0 0.074 0.095 0.099 0.000 0.001 0.000 3/18900 580.0 0.073 0.094 0.098 0.000 0.001 0.000 3/18900 590.0 0.072 0.092 0.096 0.000 0.001 0.000 3/18900 600.0 0.071 0.090 0.094 0.000 0.001 0.000 3/18900 610.0 0.069 0.089 0.093 0.000 0.001 0.000 3/18900 620.0 0.068 0.088 0.091 0.000 0.001 0.000 3/18900 630.0 0.067 0.086 0.090 0.000 0.001 0.000 3/18900 640.0 0.066 0.085 0.089 0.000 0.001 0.000 3/18900 650.0 0.065 0.084 0.087 0.000 0.001 0.000 3/18900 660.0 0.064 0.082 0.086 0.000 0.001 0.000 3/18900 670.0 0.063 0.081 0.085 0.000 0.001 0.000 3/18900 680.0 0.062 0.080 0.084 0.000 0.001 0.000 3/18900 690.0 0.062 0.079 0.082 0.000 0.001 0.000 3/18900 700.0 0.061 0.078 0.081 0.000 0.001 0.000 3/18900 710.0 0.060 0.077 0.080 0.000 0.001 0.000 3/18900 720.0 0.059 0.076 0.079 0.000 0.001 0.000 3/18900 730.0 0.058 0.075 0.078 0.000 0.001 0.000 3/18900 740.0 0.057 0.074 0.077 0.000 0.001 0.000 3/18900 750.0 0.057 0.073 0.076 0.000 0.001 0.000 3/18900 760.0 0.056 0.072 0.075 0.000 0.001 0.000 3/18900 770.0 0.055 0.071 0.074 0.000 0.001 0.000 3/18900 780.0 0.055 0.070 0.073 0.000 0.001 0.000 3/18900 790.0 0.054 0.069 0.072 0.000 0.001 0.000 3/18900 800.0 0.053 0.068 0.071 0.000 0.001 0.000 3/18900 810.0 0.053 0.067 0.070 0.000 0.001 0.000 3/18900 820.0 0.052 0.067 0.070 0.000 0.001 0.000 3/18900 830.0 0.051 0.066 0.069 0.000 0.001 0.000 3/18900 840.0 0.051 0.065 0.068 0.000 0.001 0.000 3/18900 850.0 0.050 0.064 0.067 0.000 0.001 0.000 3/18900 860.0 0.050 0.063 0.066 0.000 0.001 0.000 3/18900 870.0 0.049 0.063 0.066 0.000 0.001 0.000 3/18900 880.0 0.048 0.062 0.065 0.000 0.001 0.000 3/18900 890.0 0.048 0.061 0.064 0.000 0.001 0.000 3/18900 900.0 0.047 0.061 0.063 0.000 0.001 0.000 3/18900 910.0 0.047 0.060 0.063 0.000 0.001 0.000 3/18900 920.0 0.046 0.059 0.062 0.000 0.001 0.000 3/18900 930.0 0.046 0.059 0.061 0.000 0.001 0.000 3/18900 940.0 0.045 0.058 0.061 0.000 0.001 0.000 3/18900 950.0 0.045 0.057 0.060 0.000 0.001 0.000 3/18900 960.0 0.044 0.057 0.060 0.000 0.001 0.000 3/18900 970.0 0.044 0.056 0.059 0.000 0.001 0.000 3/18900 980.0 0.044 0.056 0.058 0.000 0.001 0.000 3/18900 990.0 0.043 0.055 0.058 0.000 0.001 0.000 3/18900 1000.0 0.043 0.055 0.057 0.000 0.001 0.000 3/18900 Thermal conductivity related properties were written into "kappa-m575.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-09 02:40:06]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|