----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-09 02:46:33]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [1 3 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pna2_1 (33) Number of symmetry operations in supercell: 12 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 10.636459869999999 0.000000000000000 0.000000000000000 b 0.000000000000000 4.110793699999999 0.000000000000000 c 0.000000000000000 0.000000000000000 13.863654289999999 Atomic positions (fractional): *1 Ba 0.95697447502037 0.68284649841111 0.86513441901419 137.327 *2 Ba 0.79131063292815 0.67270891324700 0.54297664715970 137.327 3 Ba 0.70868936707185 0.17270891324700 0.04297664715970 137.327 4 Ba 0.54302552497963 0.18284649841111 0.36513441901419 137.327 5 Ba 0.45697447502037 0.81715350158889 0.86513441901419 137.327 6 Ba 0.29131063292815 0.82729108675300 0.54297664715970 137.327 7 Ba 0.20868936707185 0.32729108675300 0.04297664715970 137.327 8 Ba 0.04302552497963 0.31715350158889 0.36513441901419 137.327 *9 Cu 0.98741403636558 0.83695324538390 0.15746824686938 63.546 *10 Cu 0.76442651307035 0.66059643405897 0.24699699760069 63.546 11 Cu 0.73557348692965 0.16059643405897 0.74699699760069 63.546 12 Cu 0.51258596363442 0.33695324538390 0.65746824686938 63.546 13 Cu 0.48741403636558 0.66304675461610 0.15746824686938 63.546 14 Cu 0.26442651307035 0.83940356594103 0.24699699760069 63.546 15 Cu 0.23557348692965 0.33940356594103 0.74699699760069 63.546 16 Cu 0.01258596363442 0.16304675461610 0.65746824686938 63.546 *17 O 0.91794390998856 0.82632857126441 0.27964919067490 15.999 *18 O 0.95516701923940 0.17202821854048 0.53397164665515 15.999 *19 O 0.87491594530170 0.94654789638208 0.70315017986597 15.999 *20 O 0.83500319662002 0.66397168491525 0.12469921058583 15.999 *21 O 0.79305281828586 0.17773626088171 0.86995340157420 15.999 22 O 0.70694718171414 0.67773626088171 0.36995340157420 15.999 23 O 0.66499680337998 0.16397168491524 0.62469921058583 15.999 24 O 0.62508405469830 0.44654789638208 0.20315017986597 15.999 25 O 0.54483298076060 0.67202821854048 0.03397164665515 15.999 26 O 0.58205609001144 0.32632857126441 0.77964919067490 15.999 27 O 0.41794390998856 0.67367142873559 0.27964919067490 15.999 28 O 0.45516701923940 0.32797178145952 0.53397164665515 15.999 29 O 0.37491594530170 0.55345210361792 0.70315017986597 15.999 30 O 0.33500319662002 0.83602831508475 0.12469921058583 15.999 31 O 0.29305281828586 0.32226373911829 0.86995340157420 15.999 32 O 0.20694718171414 0.82226373911829 0.36995340157420 15.999 33 O 0.16499680337998 0.33602831508476 0.62469921058583 15.999 34 O 0.12508405469830 0.05345210361792 0.20315017986597 15.999 35 O 0.04483298076060 0.82797178145952 0.03397164665515 15.999 36 O 0.08205609001144 0.17367142873559 0.77964919067490 15.999 -------------------------------- unit cell --------------------------------- Lattice vectors: a 10.636459869999999 0.000000000000000 0.000000000000000 b 0.000000000000000 4.110793699999999 0.000000000000000 c 0.000000000000000 0.000000000000000 13.863654289999999 Atomic positions (fractional): *1 Ba 0.95697447502037 0.68284649841111 0.86513441901419 137.327 > 1 *2 Ba 0.79131063292815 0.67270891324700 0.54297664715970 137.327 > 2 3 Ba 0.70868936707185 0.17270891324700 0.04297664715970 137.327 > 3 4 Ba 0.54302552497963 0.18284649841111 0.36513441901419 137.327 > 4 5 Ba 0.45697447502037 0.81715350158889 0.86513441901419 137.327 > 5 6 Ba 0.29131063292815 0.82729108675300 0.54297664715970 137.327 > 6 7 Ba 0.20868936707185 0.32729108675300 0.04297664715970 137.327 > 7 8 Ba 0.04302552497963 0.31715350158889 0.36513441901419 137.327 > 8 *9 Cu 0.98741403636558 0.83695324538390 0.15746824686938 63.546 > 9 *10 Cu 0.76442651307035 0.66059643405897 0.24699699760069 63.546 > 10 11 Cu 0.73557348692965 0.16059643405897 0.74699699760069 63.546 > 11 12 Cu 0.51258596363442 0.33695324538390 0.65746824686938 63.546 > 12 13 Cu 0.48741403636558 0.66304675461610 0.15746824686938 63.546 > 13 14 Cu 0.26442651307035 0.83940356594103 0.24699699760069 63.546 > 14 15 Cu 0.23557348692965 0.33940356594103 0.74699699760069 63.546 > 15 16 Cu 0.01258596363442 0.16304675461610 0.65746824686938 63.546 > 16 *17 O 0.91794390998856 0.82632857126441 0.27964919067490 15.999 > 17 *18 O 0.95516701923940 0.17202821854048 0.53397164665515 15.999 > 18 *19 O 0.87491594530170 0.94654789638208 0.70315017986597 15.999 > 19 *20 O 0.83500319662002 0.66397168491525 0.12469921058583 15.999 > 20 *21 O 0.79305281828586 0.17773626088171 0.86995340157420 15.999 > 21 22 O 0.70694718171414 0.67773626088171 0.36995340157420 15.999 > 22 23 O 0.66499680337998 0.16397168491524 0.62469921058583 15.999 > 23 24 O 0.62508405469830 0.44654789638208 0.20315017986597 15.999 > 24 25 O 0.54483298076060 0.67202821854048 0.03397164665515 15.999 > 25 26 O 0.58205609001144 0.32632857126441 0.77964919067490 15.999 > 26 27 O 0.41794390998856 0.67367142873559 0.27964919067490 15.999 > 27 28 O 0.45516701923940 0.32797178145952 0.53397164665515 15.999 > 28 29 O 0.37491594530170 0.55345210361792 0.70315017986597 15.999 > 29 30 O 0.33500319662002 0.83602831508475 0.12469921058583 15.999 > 30 31 O 0.29305281828586 0.32226373911829 0.86995340157420 15.999 > 31 32 O 0.20694718171414 0.82226373911829 0.36995340157420 15.999 > 32 33 O 0.16499680337998 0.33602831508476 0.62469921058583 15.999 > 33 34 O 0.12508405469830 0.05345210361792 0.20315017986597 15.999 > 34 35 O 0.04483298076060 0.82797178145952 0.03397164665515 15.999 > 35 36 O 0.08205609001144 0.17367142873559 0.77964919067490 15.999 > 36 -------------------------------- super cell -------------------------------- Lattice vectors: a 10.636459869999999 0.000000000000000 0.000000000000000 b 0.000000000000000 12.332381099999999 0.000000000000000 c 0.000000000000000 0.000000000000000 13.863654289999999 Atomic positions (fractional): *1 Ba 0.95697447502037 0.22761549947037 0.86513441901419 137.327 > 1 2 Ba 0.95697447502037 0.56094883280370 0.86513441901419 137.327 > 1 3 Ba 0.95697447502037 0.89428216613704 0.86513441901419 137.327 > 1 *4 Ba 0.79131063292815 0.22423630441567 0.54297664715970 137.327 > 2 5 Ba 0.79131063292815 0.55756963774900 0.54297664715970 137.327 > 2 6 Ba 0.79131063292815 0.89090297108233 0.54297664715970 137.327 > 2 7 Ba 0.70868936707185 0.05756963774900 0.04297664715970 137.327 > 3 8 Ba 0.70868936707185 0.39090297108233 0.04297664715970 137.327 > 3 9 Ba 0.70868936707185 0.72423630441567 0.04297664715970 137.327 > 3 10 Ba 0.54302552497963 0.06094883280370 0.36513441901419 137.327 > 4 11 Ba 0.54302552497963 0.39428216613704 0.36513441901419 137.327 > 4 12 Ba 0.54302552497963 0.72761549947037 0.36513441901419 137.327 > 4 13 Ba 0.45697447502037 0.27238450052963 0.86513441901419 137.327 > 5 14 Ba 0.45697447502037 0.60571783386296 0.86513441901419 137.327 > 5 15 Ba 0.45697447502037 0.93905116719630 0.86513441901419 137.327 > 5 16 Ba 0.29131063292815 0.27576369558433 0.54297664715970 137.327 > 6 17 Ba 0.29131063292815 0.60909702891767 0.54297664715970 137.327 > 6 18 Ba 0.29131063292815 0.94243036225100 0.54297664715970 137.327 > 6 19 Ba 0.20868936707185 0.10909702891767 0.04297664715970 137.327 > 7 20 Ba 0.20868936707185 0.44243036225100 0.04297664715970 137.327 > 7 21 Ba 0.20868936707185 0.77576369558433 0.04297664715970 137.327 > 7 22 Ba 0.04302552497963 0.10571783386296 0.36513441901419 137.327 > 8 23 Ba 0.04302552497963 0.43905116719630 0.36513441901419 137.327 > 8 24 Ba 0.04302552497963 0.77238450052963 0.36513441901419 137.327 > 8 *25 Cu 0.98741403636558 0.27898441512797 0.15746824686938 63.546 > 9 26 Cu 0.98741403636558 0.61231774846130 0.15746824686938 63.546 > 9 27 Cu 0.98741403636558 0.94565108179463 0.15746824686938 63.546 > 9 *28 Cu 0.76442651307035 0.22019881135299 0.24699699760069 63.546 > 10 29 Cu 0.76442651307035 0.55353214468632 0.24699699760069 63.546 > 10 30 Cu 0.76442651307035 0.88686547801966 0.24699699760069 63.546 > 10 31 Cu 0.73557348692965 0.05353214468632 0.74699699760069 63.546 > 11 32 Cu 0.73557348692965 0.38686547801966 0.74699699760069 63.546 > 11 33 Cu 0.73557348692965 0.72019881135299 0.74699699760069 63.546 > 11 34 Cu 0.51258596363442 0.11231774846130 0.65746824686938 63.546 > 12 35 Cu 0.51258596363442 0.44565108179463 0.65746824686938 63.546 > 12 36 Cu 0.51258596363442 0.77898441512797 0.65746824686938 63.546 > 12 37 Cu 0.48741403636558 0.22101558487203 0.15746824686938 63.546 > 13 38 Cu 0.48741403636558 0.55434891820537 0.15746824686938 63.546 > 13 39 Cu 0.48741403636558 0.88768225153870 0.15746824686938 63.546 > 13 40 Cu 0.26442651307035 0.27980118864701 0.24699699760069 63.546 > 14 41 Cu 0.26442651307035 0.61313452198034 0.24699699760069 63.546 > 14 42 Cu 0.26442651307035 0.94646785531368 0.24699699760069 63.546 > 14 43 Cu 0.23557348692965 0.11313452198034 0.74699699760069 63.546 > 15 44 Cu 0.23557348692965 0.44646785531368 0.74699699760069 63.546 > 15 45 Cu 0.23557348692965 0.77980118864701 0.74699699760069 63.546 > 15 46 Cu 0.01258596363442 0.05434891820537 0.65746824686938 63.546 > 16 47 Cu 0.01258596363442 0.38768225153870 0.65746824686938 63.546 > 16 48 Cu 0.01258596363442 0.72101558487203 0.65746824686938 63.546 > 16 *49 O 0.91794390998856 0.27544285708814 0.27964919067490 15.999 > 17 50 O 0.91794390998856 0.60877619042147 0.27964919067490 15.999 > 17 51 O 0.91794390998856 0.94210952375480 0.27964919067490 15.999 > 17 *52 O 0.95516701923940 0.05734273951349 0.53397164665515 15.999 > 18 53 O 0.95516701923940 0.39067607284683 0.53397164665515 15.999 > 18 54 O 0.95516701923940 0.72400940618016 0.53397164665515 15.999 > 18 *55 O 0.87491594530170 0.31551596546069 0.70315017986597 15.999 > 19 56 O 0.87491594530170 0.64884929879403 0.70315017986597 15.999 > 19 57 O 0.87491594530170 0.98218263212736 0.70315017986597 15.999 > 19 *58 O 0.83500319662002 0.22132389497175 0.12469921058583 15.999 > 20 59 O 0.83500319662002 0.55465722830508 0.12469921058583 15.999 > 20 60 O 0.83500319662002 0.88799056163841 0.12469921058583 15.999 > 20 *61 O 0.79305281828586 0.05924542029390 0.86995340157420 15.999 > 21 62 O 0.79305281828586 0.39257875362724 0.86995340157420 15.999 > 21 63 O 0.79305281828586 0.72591208696057 0.86995340157420 15.999 > 21 64 O 0.70694718171414 0.22591208696057 0.36995340157420 15.999 > 22 65 O 0.70694718171414 0.55924542029390 0.36995340157420 15.999 > 22 66 O 0.70694718171414 0.89257875362724 0.36995340157420 15.999 > 22 67 O 0.66499680337998 0.05465722830508 0.62469921058583 15.999 > 23 68 O 0.66499680337998 0.38799056163841 0.62469921058583 15.999 > 23 69 O 0.66499680337998 0.72132389497175 0.62469921058583 15.999 > 23 70 O 0.62508405469830 0.14884929879403 0.20315017986597 15.999 > 24 71 O 0.62508405469830 0.48218263212736 0.20315017986597 15.999 > 24 72 O 0.62508405469830 0.81551596546069 0.20315017986597 15.999 > 24 73 O 0.54483298076060 0.22400940618016 0.03397164665515 15.999 > 25 74 O 0.54483298076060 0.55734273951349 0.03397164665515 15.999 > 25 75 O 0.54483298076060 0.89067607284683 0.03397164665515 15.999 > 25 76 O 0.58205609001144 0.10877619042147 0.77964919067490 15.999 > 26 77 O 0.58205609001144 0.44210952375480 0.77964919067490 15.999 > 26 78 O 0.58205609001144 0.77544285708814 0.77964919067490 15.999 > 26 79 O 0.41794390998856 0.22455714291186 0.27964919067490 15.999 > 27 80 O 0.41794390998856 0.55789047624520 0.27964919067490 15.999 > 27 81 O 0.41794390998856 0.89122380957853 0.27964919067490 15.999 > 27 82 O 0.45516701923940 0.10932392715317 0.53397164665515 15.999 > 28 83 O 0.45516701923940 0.44265726048651 0.53397164665515 15.999 > 28 84 O 0.45516701923940 0.77599059381984 0.53397164665515 15.999 > 28 85 O 0.37491594530170 0.18448403453931 0.70315017986597 15.999 > 29 86 O 0.37491594530170 0.51781736787264 0.70315017986597 15.999 > 29 87 O 0.37491594530170 0.85115070120597 0.70315017986597 15.999 > 29 88 O 0.33500319662002 0.27867610502825 0.12469921058583 15.999 > 30 89 O 0.33500319662002 0.61200943836158 0.12469921058583 15.999 > 30 90 O 0.33500319662002 0.94534277169492 0.12469921058583 15.999 > 30 91 O 0.29305281828586 0.10742124637276 0.86995340157420 15.999 > 31 92 O 0.29305281828586 0.44075457970610 0.86995340157420 15.999 > 31 93 O 0.29305281828586 0.77408791303943 0.86995340157420 15.999 > 31 94 O 0.20694718171414 0.27408791303943 0.36995340157420 15.999 > 32 95 O 0.20694718171414 0.60742124637276 0.36995340157420 15.999 > 32 96 O 0.20694718171414 0.94075457970610 0.36995340157420 15.999 > 32 97 O 0.16499680337998 0.11200943836159 0.62469921058583 15.999 > 33 98 O 0.16499680337998 0.44534277169492 0.62469921058583 15.999 > 33 99 O 0.16499680337998 0.77867610502825 0.62469921058583 15.999 > 33 100 O 0.12508405469830 0.01781736787264 0.20315017986597 15.999 > 34 101 O 0.12508405469830 0.35115070120597 0.20315017986597 15.999 > 34 102 O 0.12508405469830 0.68448403453931 0.20315017986597 15.999 > 34 103 O 0.04483298076060 0.27599059381984 0.03397164665515 15.999 > 35 104 O 0.04483298076060 0.60932392715317 0.03397164665515 15.999 > 35 105 O 0.04483298076060 0.94265726048651 0.03397164665515 15.999 > 35 106 O 0.08205609001144 0.05789047624520 0.77964919067490 15.999 > 36 107 O 0.08205609001144 0.39122380957853 0.77964919067490 15.999 > 36 108 O 0.08205609001144 0.72455714291186 0.77964919067490 15.999 > 36 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 8.3647564 0.0000000 0.0000000 0.0000000 4.3114778 0.0000000 0.0000000 0.0000000 5.6765458 -------------------------- Born effective charges -------------------------- 1 Ba 2.5845536 0.0435503 -0.2596387 -0.3000153 2.9201665 -0.2999468 0.3947888 0.0052418 3.1103919 2 Ba 2.5865199 -0.0422925 -0.2676712 0.1097709 2.9108779 0.2829264 0.3291353 0.1948273 3.1055585 3 Ba 2.5865199 0.0422925 0.2676712 -0.1097709 2.9108779 0.2829264 -0.3291353 0.1948273 3.1055585 4 Ba 2.5845536 -0.0435503 0.2596387 0.3000153 2.9201665 -0.2999468 -0.3947888 0.0052418 3.1103919 5 Ba 2.5845536 -0.0435503 -0.2596387 0.3000153 2.9201665 0.2999468 0.3947888 -0.0052418 3.1103919 6 Ba 2.5865199 0.0422925 -0.2676712 -0.1097709 2.9108779 -0.2829264 0.3291353 -0.1948273 3.1055585 7 Ba 2.5865199 -0.0422925 0.2676712 0.1097709 2.9108779 -0.2829264 -0.3291353 -0.1948273 3.1055585 8 Ba 2.5845536 0.0435503 0.2596387 -0.3000153 2.9201665 0.2999468 -0.3947888 -0.0052418 3.1103919 9 Cu 2.1216829 1.0120782 -0.4607173 0.4145764 0.3131951 0.0513960 -0.6087068 -0.0331437 1.2017192 10 Cu 2.1544489 0.9851905 -0.4489876 0.3247641 0.2756324 0.0603295 -0.6721196 -0.0591402 1.1080991 11 Cu 2.1544489 -0.9851905 0.4489876 -0.3247641 0.2756324 0.0603295 0.6721196 -0.0591402 1.1080991 12 Cu 2.1216829 -1.0120782 0.4607173 -0.4145764 0.3131951 0.0513960 0.6087068 -0.0331437 1.2017192 13 Cu 2.1216829 -1.0120782 -0.4607173 -0.4145764 0.3131951 -0.0513960 -0.6087068 0.0331437 1.2017192 14 Cu 2.1544489 -0.9851905 -0.4489876 -0.3247641 0.2756324 -0.0603295 -0.6721196 0.0591402 1.1080991 15 Cu 2.1544489 0.9851905 0.4489876 0.3247641 0.2756324 -0.0603295 0.6721196 0.0591402 1.1080991 16 Cu 2.1216829 1.0120782 0.4607173 0.4145764 0.3131951 -0.0513960 0.6087068 0.0331437 1.2017192 17 O -1.6449374 -0.3847400 -0.3432704 0.0591467 -0.9901321 -0.0145013 -0.1024715 0.0789944 -1.0212793 18 O -1.8257589 0.1679381 -0.6072746 0.1789143 -1.6390197 -0.1966231 -0.2753181 0.1297503 -2.8201744 19 O -2.5327086 -0.0139229 0.7647553 0.0195482 -1.1932252 0.0078075 -0.2402572 -0.0291267 -0.7895788 20 O -1.6801769 -0.3813529 -0.3213515 0.0509563 -1.0119402 -0.0352022 -0.1195989 -0.0142825 -1.1109857 21 O -1.7636234 -0.1706178 -0.6356940 -0.0817588 -1.5855547 0.1384844 -0.3338079 -0.0304103 -2.7837506 22 O -1.7636234 0.1706178 0.6356940 0.0817588 -1.5855547 0.1384844 0.3338079 -0.0304103 -2.7837506 23 O -1.6801769 0.3813529 0.3213515 -0.0509563 -1.0119402 -0.0352022 0.1195989 -0.0142825 -1.1109857 24 O -2.5327086 0.0139229 -0.7647553 -0.0195482 -1.1932252 0.0078075 0.2402572 -0.0291267 -0.7895788 25 O -1.8257589 -0.1679381 0.6072746 -0.1789143 -1.6390197 -0.1966231 0.2753181 0.1297503 -2.8201744 26 O -1.6449374 0.3847400 0.3432704 -0.0591467 -0.9901321 -0.0145013 0.1024715 0.0789944 -1.0212793 27 O -1.6449374 0.3847400 -0.3432704 -0.0591467 -0.9901321 0.0145013 -0.1024715 -0.0789944 -1.0212793 28 O -1.8257589 -0.1679381 -0.6072746 -0.1789143 -1.6390197 0.1966231 -0.2753181 -0.1297503 -2.8201744 29 O -2.5327086 0.0139229 0.7647553 -0.0195482 -1.1932252 -0.0078075 -0.2402572 0.0291267 -0.7895788 30 O -1.6801769 0.3813529 -0.3213515 -0.0509563 -1.0119402 0.0352022 -0.1195989 0.0142825 -1.1109857 31 O -1.7636234 0.1706178 -0.6356940 0.0817588 -1.5855547 -0.1384844 -0.3338079 0.0304103 -2.7837506 32 O -1.7636234 -0.1706178 0.6356940 -0.0817588 -1.5855547 -0.1384844 0.3338079 0.0304103 -2.7837506 33 O -1.6801769 -0.3813529 0.3213515 0.0509563 -1.0119402 0.0352022 0.1195989 0.0142825 -1.1109857 34 O -2.5327086 -0.0139229 -0.7647553 0.0195482 -1.1932252 -0.0078075 0.2402572 0.0291267 -0.7895788 35 O -1.8257589 0.1679381 0.6072746 0.1789143 -1.6390197 0.1966231 0.2753181 -0.1297503 -2.8201744 36 O -1.6449374 -0.3847400 0.3432704 0.0591467 -0.9901321 0.0145013 0.1024715 -0.0789944 -1.0212793 ---------------------------------------------------------------------------- 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: 324/324 Permutation basis: 17766/17766 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 4482 Number of blocks in projector: 4482 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: 972 Use submatrix version of eigh solver. (1) Block: 500 / 972 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 232 eigenvectors found. (2) Complementary block size: 36 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 972 / 972 (1) 455 eigenvectors found. (1) Complementary block size: 35 (1) Compute compressed projector. (1) Use standard solver. (1) 17 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 972 Use submatrix version of eigh solver. (1) Block: 500 / 972 (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: 972 / 972 (1) 454 eigenvectors found. (1) Complementary block size: 36 (1) Compute compressed projector. (1) Use standard solver. (1) 18 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 972 Use submatrix version of eigh solver. (1) Block: 500 / 972 (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: 972 / 972 (1) 454 eigenvectors found. (1) Complementary block size: 36 (1) Compute compressed projector. (1) Use standard solver. (1) 18 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 522 Use submatrix version of eigh solver. (1) Block: 522 / 522 (2) Block: 250 / 522 (2) 241 eigenvectors found. (2) Block: 522 / 522 (2) 263 eigenvectors found. (2) Complementary block size: 18 (2) Compute compressed projector. (2) Use standard solver. (2) 9 eigenvectors found. (1) 513 eigenvectors found. (1) Complementary block size: 8 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 522 Use submatrix version of eigh solver. (1) Block: 522 / 522 (2) Block: 250 / 522 (2) 241 eigenvectors found. (2) Block: 522 / 522 (2) 263 eigenvectors found. (2) Complementary block size: 18 (2) Compute compressed projector. (2) Use standard solver. (2) 9 eigenvectors found. (1) 513 eigenvectors found. (1) Complementary block size: 8 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 522 Use submatrix version of eigh solver. (1) Block: 522 / 522 (2) Block: 250 / 522 (2) 241 eigenvectors found. (2) Block: 522 / 522 (2) 263 eigenvectors found. (2) Complementary block size: 18 (2) Compute compressed projector. (2) Use standard solver. (2) 9 eigenvectors found. (1) 513 eigenvectors found. (1) Complementary block size: 8 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. Tree of FC basis block matrices: - (4482, 4401), data: False |-- (522, 513), data: False |-- (522, 513), data: False |-- (522, 9), data: (522, 18) @ (18, 9) |-- (272, 263), data: True |-- (250, 241), data: True |-- (522, 513), data: False |-- (522, 513), data: False |-- (522, 9), data: (522, 18) @ (18, 9) |-- (272, 263), data: True |-- (250, 241), data: True |-- (522, 513), data: False |-- (522, 513), data: False |-- (522, 9), data: (522, 18) @ (18, 9) |-- (272, 263), data: True |-- (250, 241), data: True |-- (972, 954), data: False |-- (972, 18), data: (972, 36) @ (36, 18) |-- (472, 454), data: True |-- (500, 482), data: False |-- (500, 16), data: (500, 34) @ (34, 16) |-- (250, 234), data: True |-- (250, 232), data: True |-- (972, 954), data: False |-- (972, 18), data: (972, 36) @ (36, 18) |-- (472, 454), data: True |-- (500, 482), data: False |-- (500, 16), data: (500, 34) @ (34, 16) |-- (250, 234), data: True |-- (250, 232), data: True |-- (972, 954), data: False |-- (972, 17), data: (972, 35) @ (35, 17) |-- (472, 455), data: True |-- (500, 482), data: False |-- (500, 18), data: (500, 36) @ (36, 18) |-- (250, 232), data: True |-- (250, 232), data: True ----- Solver_atoms: 1 -- 108 / 108 Time (Solver_compr_matrix_reshape): 0.003 Solver_block: 100 / 1120 - Time: 1.168 Solver_block: 200 / 1120 - Time: 0.956 Solver_block: 300 / 1120 - Time: 0.951 Solver_block: 400 / 1120 - Time: 0.943 Solver_block: 500 / 1120 - Time: 0.954 Solver_block: 600 / 1120 - Time: 0.942 Solver_block: 700 / 1120 - Time: 0.940 Solver_block: 800 / 1120 - Time: 0.935 Solver_block: 900 / 1120 - Time: 0.937 Solver_block: 1000 / 1120 - Time: 0.935 Solver_block: 1100 / 1120 - Time: 0.949 Solver_block: 1120 / 1120 - Time: 0.335 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 11.223 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (xx) 0.00000000 (xx) Permutation basis: 324/324 Permutation basis: 17766/17766 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 4482 Number of blocks in projector: 4482 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: 972 Use submatrix version of eigh solver. (1) Block: 500 / 972 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 232 eigenvectors found. (2) Complementary block size: 36 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 972 / 972 (1) 455 eigenvectors found. (1) Complementary block size: 35 (1) Compute compressed projector. (1) Use standard solver. (1) 17 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 972 Use submatrix version of eigh solver. (1) Block: 500 / 972 (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: 972 / 972 (1) 454 eigenvectors found. (1) Complementary block size: 36 (1) Compute compressed projector. (1) Use standard solver. (1) 18 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 972 Use submatrix version of eigh solver. (1) Block: 500 / 972 (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: 972 / 972 (1) 454 eigenvectors found. (1) Complementary block size: 36 (1) Compute compressed projector. (1) Use standard solver. (1) 18 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 522 Use submatrix version of eigh solver. (1) Block: 522 / 522 (2) Block: 250 / 522 (2) 241 eigenvectors found. (2) Block: 522 / 522 (2) 263 eigenvectors found. (2) Complementary block size: 18 (2) Compute compressed projector. (2) Use standard solver. (2) 9 eigenvectors found. (1) 513 eigenvectors found. (1) Complementary block size: 8 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 522 Use submatrix version of eigh solver. (1) Block: 522 / 522 (2) Block: 250 / 522 (2) 241 eigenvectors found. (2) Block: 522 / 522 (2) 263 eigenvectors found. (2) Complementary block size: 18 (2) Compute compressed projector. (2) Use standard solver. (2) 9 eigenvectors found. (1) 513 eigenvectors found. (1) Complementary block size: 8 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 522 Use submatrix version of eigh solver. (1) Block: 522 / 522 (2) Block: 250 / 522 (2) 241 eigenvectors found. (2) Block: 522 / 522 (2) 263 eigenvectors found. (2) Complementary block size: 18 (2) Compute compressed projector. (2) Use standard solver. (2) 9 eigenvectors found. (1) 513 eigenvectors found. (1) Complementary block size: 8 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. Tree of FC basis block matrices: - (4482, 4401), data: False |-- (522, 513), data: False |-- (522, 513), data: False |-- (522, 9), data: (522, 18) @ (18, 9) |-- (272, 263), data: True |-- (250, 241), data: True |-- (522, 513), data: False |-- (522, 513), data: False |-- (522, 9), data: (522, 18) @ (18, 9) |-- (272, 263), data: True |-- (250, 241), data: True |-- (522, 513), data: False |-- (522, 513), data: False |-- (522, 9), data: (522, 18) @ (18, 9) |-- (272, 263), data: True |-- (250, 241), data: True |-- (972, 954), data: False |-- (972, 18), data: (972, 36) @ (36, 18) |-- (472, 454), data: True |-- (500, 482), data: False |-- (500, 16), data: (500, 34) @ (34, 16) |-- (250, 234), data: True |-- (250, 232), data: True |-- (972, 954), data: False |-- (972, 18), data: (972, 36) @ (36, 18) |-- (472, 454), data: True |-- (500, 482), data: False |-- (500, 16), data: (500, 34) @ (34, 16) |-- (250, 234), data: True |-- (250, 232), data: True |-- (972, 954), data: False |-- (972, 17), data: (972, 35) @ (35, 17) |-- (472, 455), data: True |-- (500, 482), data: False |-- (500, 18), data: (500, 36) @ (36, 18) |-- (250, 232), data: True |-- (250, 232), data: True Max drift after symmetrization by symfc projector: 0.00000000 (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 02:47:30]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-09 02:47:31]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [1 3 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pna2_1 (33) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 10.636459869999999 0.000000000000000 0.000000000000000 b 0.000000000000000 4.110793699999999 0.000000000000000 c 0.000000000000000 0.000000000000000 13.863654289999999 Atomic positions (fractional): 1 Ba 0.95697447502037 0.68284649841111 0.86513441901419 137.327 2 Ba 0.79131063292815 0.67270891324700 0.54297664715970 137.327 3 Ba 0.70868936707185 0.17270891324700 0.04297664715970 137.327 4 Ba 0.54302552497963 0.18284649841111 0.36513441901419 137.327 5 Ba 0.45697447502037 0.81715350158889 0.86513441901419 137.327 6 Ba 0.29131063292815 0.82729108675300 0.54297664715970 137.327 7 Ba 0.20868936707185 0.32729108675300 0.04297664715970 137.327 8 Ba 0.04302552497963 0.31715350158889 0.36513441901419 137.327 9 Cu 0.98741403636558 0.83695324538390 0.15746824686938 63.546 10 Cu 0.76442651307035 0.66059643405897 0.24699699760069 63.546 11 Cu 0.73557348692965 0.16059643405897 0.74699699760069 63.546 12 Cu 0.51258596363442 0.33695324538390 0.65746824686938 63.546 13 Cu 0.48741403636558 0.66304675461610 0.15746824686938 63.546 14 Cu 0.26442651307035 0.83940356594103 0.24699699760069 63.546 15 Cu 0.23557348692965 0.33940356594103 0.74699699760069 63.546 16 Cu 0.01258596363442 0.16304675461610 0.65746824686938 63.546 17 O 0.91794390998856 0.82632857126441 0.27964919067490 15.999 18 O 0.95516701923940 0.17202821854048 0.53397164665515 15.999 19 O 0.87491594530170 0.94654789638208 0.70315017986597 15.999 20 O 0.83500319662002 0.66397168491525 0.12469921058583 15.999 21 O 0.79305281828586 0.17773626088171 0.86995340157420 15.999 22 O 0.70694718171414 0.67773626088171 0.36995340157420 15.999 23 O 0.66499680337998 0.16397168491524 0.62469921058583 15.999 24 O 0.62508405469830 0.44654789638208 0.20315017986597 15.999 25 O 0.54483298076060 0.67202821854048 0.03397164665515 15.999 26 O 0.58205609001144 0.32632857126441 0.77964919067490 15.999 27 O 0.41794390998856 0.67367142873559 0.27964919067490 15.999 28 O 0.45516701923940 0.32797178145952 0.53397164665515 15.999 29 O 0.37491594530170 0.55345210361792 0.70315017986597 15.999 30 O 0.33500319662002 0.83602831508475 0.12469921058583 15.999 31 O 0.29305281828586 0.32226373911829 0.86995340157420 15.999 32 O 0.20694718171414 0.82226373911829 0.36995340157420 15.999 33 O 0.16499680337998 0.33602831508476 0.62469921058583 15.999 34 O 0.12508405469830 0.05345210361792 0.20315017986597 15.999 35 O 0.04483298076060 0.82797178145952 0.03397164665515 15.999 36 O 0.08205609001144 0.17367142873559 0.77964919067490 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.636459869999999 0.000000000000000 0.000000000000000 b 0.000000000000000 12.332381099999999 0.000000000000000 c 0.000000000000000 0.000000000000000 13.863654289999999 Atomic positions (fractional): 1 Ba 0.95697447502037 0.22761549947037 0.86513441901419 137.327 > 1 2 Ba 0.95697447502037 0.56094883280370 0.86513441901419 137.327 > 1 3 Ba 0.95697447502037 0.89428216613704 0.86513441901419 137.327 > 1 4 Ba 0.79131063292815 0.22423630441567 0.54297664715970 137.327 > 4 5 Ba 0.79131063292815 0.55756963774900 0.54297664715970 137.327 > 4 6 Ba 0.79131063292815 0.89090297108233 0.54297664715970 137.327 > 4 7 Ba 0.70868936707185 0.05756963774900 0.04297664715970 137.327 > 7 8 Ba 0.70868936707185 0.39090297108233 0.04297664715970 137.327 > 7 9 Ba 0.70868936707185 0.72423630441567 0.04297664715970 137.327 > 7 10 Ba 0.54302552497963 0.06094883280370 0.36513441901419 137.327 > 10 11 Ba 0.54302552497963 0.39428216613704 0.36513441901419 137.327 > 10 12 Ba 0.54302552497963 0.72761549947037 0.36513441901419 137.327 > 10 13 Ba 0.45697447502037 0.27238450052963 0.86513441901419 137.327 > 13 14 Ba 0.45697447502037 0.60571783386296 0.86513441901419 137.327 > 13 15 Ba 0.45697447502037 0.93905116719630 0.86513441901419 137.327 > 13 16 Ba 0.29131063292815 0.27576369558433 0.54297664715970 137.327 > 16 17 Ba 0.29131063292815 0.60909702891767 0.54297664715970 137.327 > 16 18 Ba 0.29131063292815 0.94243036225100 0.54297664715970 137.327 > 16 19 Ba 0.20868936707185 0.10909702891767 0.04297664715970 137.327 > 19 20 Ba 0.20868936707185 0.44243036225100 0.04297664715970 137.327 > 19 21 Ba 0.20868936707185 0.77576369558433 0.04297664715970 137.327 > 19 22 Ba 0.04302552497963 0.10571783386296 0.36513441901419 137.327 > 22 23 Ba 0.04302552497963 0.43905116719630 0.36513441901419 137.327 > 22 24 Ba 0.04302552497963 0.77238450052963 0.36513441901419 137.327 > 22 25 Cu 0.98741403636558 0.27898441512797 0.15746824686938 63.546 > 25 26 Cu 0.98741403636558 0.61231774846130 0.15746824686938 63.546 > 25 27 Cu 0.98741403636558 0.94565108179463 0.15746824686938 63.546 > 25 28 Cu 0.76442651307035 0.22019881135299 0.24699699760069 63.546 > 28 29 Cu 0.76442651307035 0.55353214468632 0.24699699760069 63.546 > 28 30 Cu 0.76442651307035 0.88686547801966 0.24699699760069 63.546 > 28 31 Cu 0.73557348692965 0.05353214468632 0.74699699760069 63.546 > 31 32 Cu 0.73557348692965 0.38686547801966 0.74699699760069 63.546 > 31 33 Cu 0.73557348692965 0.72019881135299 0.74699699760069 63.546 > 31 34 Cu 0.51258596363442 0.11231774846130 0.65746824686938 63.546 > 34 35 Cu 0.51258596363442 0.44565108179463 0.65746824686938 63.546 > 34 36 Cu 0.51258596363442 0.77898441512797 0.65746824686938 63.546 > 34 37 Cu 0.48741403636558 0.22101558487203 0.15746824686938 63.546 > 37 38 Cu 0.48741403636558 0.55434891820537 0.15746824686938 63.546 > 37 39 Cu 0.48741403636558 0.88768225153870 0.15746824686938 63.546 > 37 40 Cu 0.26442651307035 0.27980118864701 0.24699699760069 63.546 > 40 41 Cu 0.26442651307035 0.61313452198034 0.24699699760069 63.546 > 40 42 Cu 0.26442651307035 0.94646785531368 0.24699699760069 63.546 > 40 43 Cu 0.23557348692965 0.11313452198034 0.74699699760069 63.546 > 43 44 Cu 0.23557348692965 0.44646785531368 0.74699699760069 63.546 > 43 45 Cu 0.23557348692965 0.77980118864701 0.74699699760069 63.546 > 43 46 Cu 0.01258596363442 0.05434891820537 0.65746824686938 63.546 > 46 47 Cu 0.01258596363442 0.38768225153870 0.65746824686938 63.546 > 46 48 Cu 0.01258596363442 0.72101558487203 0.65746824686938 63.546 > 46 49 O 0.91794390998856 0.27544285708814 0.27964919067490 15.999 > 49 50 O 0.91794390998856 0.60877619042147 0.27964919067490 15.999 > 49 51 O 0.91794390998856 0.94210952375480 0.27964919067490 15.999 > 49 52 O 0.95516701923940 0.05734273951349 0.53397164665515 15.999 > 52 53 O 0.95516701923940 0.39067607284683 0.53397164665515 15.999 > 52 54 O 0.95516701923940 0.72400940618016 0.53397164665515 15.999 > 52 55 O 0.87491594530170 0.31551596546069 0.70315017986597 15.999 > 55 56 O 0.87491594530170 0.64884929879403 0.70315017986597 15.999 > 55 57 O 0.87491594530170 0.98218263212736 0.70315017986597 15.999 > 55 58 O 0.83500319662002 0.22132389497175 0.12469921058583 15.999 > 58 59 O 0.83500319662002 0.55465722830508 0.12469921058583 15.999 > 58 60 O 0.83500319662002 0.88799056163841 0.12469921058583 15.999 > 58 61 O 0.79305281828586 0.05924542029390 0.86995340157420 15.999 > 61 62 O 0.79305281828586 0.39257875362724 0.86995340157420 15.999 > 61 63 O 0.79305281828586 0.72591208696057 0.86995340157420 15.999 > 61 64 O 0.70694718171414 0.22591208696057 0.36995340157420 15.999 > 64 65 O 0.70694718171414 0.55924542029390 0.36995340157420 15.999 > 64 66 O 0.70694718171414 0.89257875362724 0.36995340157420 15.999 > 64 67 O 0.66499680337998 0.05465722830508 0.62469921058583 15.999 > 67 68 O 0.66499680337998 0.38799056163841 0.62469921058583 15.999 > 67 69 O 0.66499680337998 0.72132389497175 0.62469921058583 15.999 > 67 70 O 0.62508405469830 0.14884929879403 0.20315017986597 15.999 > 70 71 O 0.62508405469830 0.48218263212736 0.20315017986597 15.999 > 70 72 O 0.62508405469830 0.81551596546069 0.20315017986597 15.999 > 70 73 O 0.54483298076060 0.22400940618016 0.03397164665515 15.999 > 73 74 O 0.54483298076060 0.55734273951349 0.03397164665515 15.999 > 73 75 O 0.54483298076060 0.89067607284683 0.03397164665515 15.999 > 73 76 O 0.58205609001144 0.10877619042147 0.77964919067490 15.999 > 76 77 O 0.58205609001144 0.44210952375480 0.77964919067490 15.999 > 76 78 O 0.58205609001144 0.77544285708814 0.77964919067490 15.999 > 76 79 O 0.41794390998856 0.22455714291186 0.27964919067490 15.999 > 79 80 O 0.41794390998856 0.55789047624520 0.27964919067490 15.999 > 79 81 O 0.41794390998856 0.89122380957853 0.27964919067490 15.999 > 79 82 O 0.45516701923940 0.10932392715317 0.53397164665515 15.999 > 82 83 O 0.45516701923940 0.44265726048651 0.53397164665515 15.999 > 82 84 O 0.45516701923940 0.77599059381984 0.53397164665515 15.999 > 82 85 O 0.37491594530170 0.18448403453931 0.70315017986597 15.999 > 85 86 O 0.37491594530170 0.51781736787264 0.70315017986597 15.999 > 85 87 O 0.37491594530170 0.85115070120597 0.70315017986597 15.999 > 85 88 O 0.33500319662002 0.27867610502825 0.12469921058583 15.999 > 88 89 O 0.33500319662002 0.61200943836158 0.12469921058583 15.999 > 88 90 O 0.33500319662002 0.94534277169492 0.12469921058583 15.999 > 88 91 O 0.29305281828586 0.10742124637276 0.86995340157420 15.999 > 91 92 O 0.29305281828586 0.44075457970610 0.86995340157420 15.999 > 91 93 O 0.29305281828586 0.77408791303943 0.86995340157420 15.999 > 91 94 O 0.20694718171414 0.27408791303943 0.36995340157420 15.999 > 94 95 O 0.20694718171414 0.60742124637276 0.36995340157420 15.999 > 94 96 O 0.20694718171414 0.94075457970610 0.36995340157420 15.999 > 94 97 O 0.16499680337998 0.11200943836159 0.62469921058583 15.999 > 97 98 O 0.16499680337998 0.44534277169492 0.62469921058583 15.999 > 97 99 O 0.16499680337998 0.77867610502825 0.62469921058583 15.999 > 97 100 O 0.12508405469830 0.01781736787264 0.20315017986597 15.999 > 100 101 O 0.12508405469830 0.35115070120597 0.20315017986597 15.999 > 100 102 O 0.12508405469830 0.68448403453931 0.20315017986597 15.999 > 100 103 O 0.04483298076060 0.27599059381984 0.03397164665515 15.999 > 103 104 O 0.04483298076060 0.60932392715317 0.03397164665515 15.999 > 103 105 O 0.04483298076060 0.94265726048651 0.03397164665515 15.999 > 103 106 O 0.08205609001144 0.05789047624520 0.77964919067490 15.999 > 106 107 O 0.08205609001144 0.39122380957853 0.77964919067490 15.999 > 106 108 O 0.08205609001144 0.72455714291186 0.77964919067490 15.999 > 106 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 8.3647564 0.0000000 0.0000000 0.0000000 4.3114778 0.0000000 0.0000000 0.0000000 5.6765458 -------------------------- Born effective charges -------------------------- 1 Ba 2.5845536 0.0435503 -0.2596387 -0.3000153 2.9201665 -0.2999468 0.3947888 0.0052418 3.1103919 2 Ba 2.5865199 -0.0422925 -0.2676712 0.1097709 2.9108779 0.2829264 0.3291353 0.1948273 3.1055585 3 Ba 2.5865199 0.0422925 0.2676712 -0.1097709 2.9108779 0.2829264 -0.3291353 0.1948273 3.1055585 4 Ba 2.5845536 -0.0435503 0.2596387 0.3000153 2.9201665 -0.2999468 -0.3947888 0.0052418 3.1103919 5 Ba 2.5845536 -0.0435503 -0.2596387 0.3000153 2.9201665 0.2999468 0.3947888 -0.0052418 3.1103919 6 Ba 2.5865199 0.0422925 -0.2676712 -0.1097709 2.9108779 -0.2829264 0.3291353 -0.1948273 3.1055585 7 Ba 2.5865199 -0.0422925 0.2676712 0.1097709 2.9108779 -0.2829264 -0.3291353 -0.1948273 3.1055585 8 Ba 2.5845536 0.0435503 0.2596387 -0.3000153 2.9201665 0.2999468 -0.3947888 -0.0052418 3.1103919 9 Cu 2.1216829 1.0120782 -0.4607173 0.4145764 0.3131951 0.0513960 -0.6087068 -0.0331437 1.2017192 10 Cu 2.1544489 0.9851905 -0.4489876 0.3247641 0.2756324 0.0603295 -0.6721196 -0.0591402 1.1080991 11 Cu 2.1544489 -0.9851905 0.4489876 -0.3247641 0.2756324 0.0603295 0.6721196 -0.0591402 1.1080991 12 Cu 2.1216829 -1.0120782 0.4607173 -0.4145764 0.3131951 0.0513960 0.6087068 -0.0331437 1.2017192 13 Cu 2.1216829 -1.0120782 -0.4607173 -0.4145764 0.3131951 -0.0513960 -0.6087068 0.0331437 1.2017192 14 Cu 2.1544489 -0.9851905 -0.4489876 -0.3247641 0.2756324 -0.0603295 -0.6721196 0.0591402 1.1080991 15 Cu 2.1544489 0.9851905 0.4489876 0.3247641 0.2756324 -0.0603295 0.6721196 0.0591402 1.1080991 16 Cu 2.1216829 1.0120782 0.4607173 0.4145764 0.3131951 -0.0513960 0.6087068 0.0331437 1.2017192 17 O -1.6449374 -0.3847400 -0.3432704 0.0591467 -0.9901321 -0.0145013 -0.1024715 0.0789944 -1.0212793 18 O -1.8257589 0.1679381 -0.6072746 0.1789143 -1.6390197 -0.1966231 -0.2753181 0.1297503 -2.8201744 19 O -2.5327086 -0.0139229 0.7647553 0.0195482 -1.1932252 0.0078075 -0.2402572 -0.0291267 -0.7895788 20 O -1.6801769 -0.3813529 -0.3213515 0.0509563 -1.0119402 -0.0352022 -0.1195989 -0.0142825 -1.1109857 21 O -1.7636234 -0.1706178 -0.6356940 -0.0817588 -1.5855547 0.1384844 -0.3338079 -0.0304103 -2.7837506 22 O -1.7636234 0.1706178 0.6356940 0.0817588 -1.5855547 0.1384844 0.3338079 -0.0304103 -2.7837506 23 O -1.6801769 0.3813529 0.3213515 -0.0509563 -1.0119402 -0.0352022 0.1195989 -0.0142825 -1.1109857 24 O -2.5327086 0.0139229 -0.7647553 -0.0195482 -1.1932252 0.0078075 0.2402572 -0.0291267 -0.7895788 25 O -1.8257589 -0.1679381 0.6072746 -0.1789143 -1.6390197 -0.1966231 0.2753181 0.1297503 -2.8201744 26 O -1.6449374 0.3847400 0.3432704 -0.0591467 -0.9901321 -0.0145013 0.1024715 0.0789944 -1.0212793 27 O -1.6449374 0.3847400 -0.3432704 -0.0591467 -0.9901321 0.0145013 -0.1024715 -0.0789944 -1.0212793 28 O -1.8257589 -0.1679381 -0.6072746 -0.1789143 -1.6390197 0.1966231 -0.2753181 -0.1297503 -2.8201744 29 O -2.5327086 0.0139229 0.7647553 -0.0195482 -1.1932252 -0.0078075 -0.2402572 0.0291267 -0.7895788 30 O -1.6801769 0.3813529 -0.3213515 -0.0509563 -1.0119402 0.0352022 -0.1195989 0.0142825 -1.1109857 31 O -1.7636234 0.1706178 -0.6356940 0.0817588 -1.5855547 -0.1384844 -0.3338079 0.0304103 -2.7837506 32 O -1.7636234 -0.1706178 0.6356940 -0.0817588 -1.5855547 -0.1384844 0.3338079 0.0304103 -2.7837506 33 O -1.6801769 -0.3813529 0.3213515 0.0509563 -1.0119402 0.0352022 0.1195989 0.0142825 -1.1109857 34 O -2.5327086 -0.0139229 -0.7647553 0.0195482 -1.1932252 -0.0078075 0.2402572 0.0291267 -0.7895788 35 O -1.8257589 0.1679381 0.6072746 0.1789143 -1.6390197 0.1966231 0.2753181 -0.1297503 -2.8201744 36 O -1.6449374 -0.3847400 0.3432704 0.0591467 -0.9901321 0.0145013 0.1024715 -0.0789944 -1.0212793 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 4, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 25, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 28, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 52, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 55, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 58, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 61, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000000 (zzz) 0.00000000 (zzz) 0.00000000 (zzz) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000000 (xx) 0.00000000 (xx) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-09 02:48:10]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-09 02:48:10]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [1 3 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pna2_1 (33) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 10.636459869999999 0.000000000000000 0.000000000000000 b 0.000000000000000 4.110793699999999 0.000000000000000 c 0.000000000000000 0.000000000000000 13.863654289999999 Atomic positions (fractional): 1 Ba 0.95697447502037 0.68284649841111 0.86513441901419 137.327 2 Ba 0.79131063292815 0.67270891324700 0.54297664715970 137.327 3 Ba 0.70868936707185 0.17270891324700 0.04297664715970 137.327 4 Ba 0.54302552497963 0.18284649841111 0.36513441901419 137.327 5 Ba 0.45697447502037 0.81715350158889 0.86513441901419 137.327 6 Ba 0.29131063292815 0.82729108675300 0.54297664715970 137.327 7 Ba 0.20868936707185 0.32729108675300 0.04297664715970 137.327 8 Ba 0.04302552497963 0.31715350158889 0.36513441901419 137.327 9 Cu 0.98741403636558 0.83695324538390 0.15746824686938 63.546 10 Cu 0.76442651307035 0.66059643405897 0.24699699760069 63.546 11 Cu 0.73557348692965 0.16059643405897 0.74699699760069 63.546 12 Cu 0.51258596363442 0.33695324538390 0.65746824686938 63.546 13 Cu 0.48741403636558 0.66304675461610 0.15746824686938 63.546 14 Cu 0.26442651307035 0.83940356594103 0.24699699760069 63.546 15 Cu 0.23557348692965 0.33940356594103 0.74699699760069 63.546 16 Cu 0.01258596363442 0.16304675461610 0.65746824686938 63.546 17 O 0.91794390998856 0.82632857126441 0.27964919067490 15.999 18 O 0.95516701923940 0.17202821854048 0.53397164665515 15.999 19 O 0.87491594530170 0.94654789638208 0.70315017986597 15.999 20 O 0.83500319662002 0.66397168491525 0.12469921058583 15.999 21 O 0.79305281828586 0.17773626088171 0.86995340157420 15.999 22 O 0.70694718171414 0.67773626088171 0.36995340157420 15.999 23 O 0.66499680337998 0.16397168491524 0.62469921058583 15.999 24 O 0.62508405469830 0.44654789638208 0.20315017986597 15.999 25 O 0.54483298076060 0.67202821854048 0.03397164665515 15.999 26 O 0.58205609001144 0.32632857126441 0.77964919067490 15.999 27 O 0.41794390998856 0.67367142873559 0.27964919067490 15.999 28 O 0.45516701923940 0.32797178145952 0.53397164665515 15.999 29 O 0.37491594530170 0.55345210361792 0.70315017986597 15.999 30 O 0.33500319662002 0.83602831508475 0.12469921058583 15.999 31 O 0.29305281828586 0.32226373911829 0.86995340157420 15.999 32 O 0.20694718171414 0.82226373911829 0.36995340157420 15.999 33 O 0.16499680337998 0.33602831508476 0.62469921058583 15.999 34 O 0.12508405469830 0.05345210361792 0.20315017986597 15.999 35 O 0.04483298076060 0.82797178145952 0.03397164665515 15.999 36 O 0.08205609001144 0.17367142873559 0.77964919067490 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.636459869999999 0.000000000000000 0.000000000000000 b 0.000000000000000 12.332381099999999 0.000000000000000 c 0.000000000000000 0.000000000000000 13.863654289999999 Atomic positions (fractional): 1 Ba 0.95697447502037 0.22761549947037 0.86513441901419 137.327 > 1 2 Ba 0.95697447502037 0.56094883280370 0.86513441901419 137.327 > 1 3 Ba 0.95697447502037 0.89428216613704 0.86513441901419 137.327 > 1 4 Ba 0.79131063292815 0.22423630441567 0.54297664715970 137.327 > 4 5 Ba 0.79131063292815 0.55756963774900 0.54297664715970 137.327 > 4 6 Ba 0.79131063292815 0.89090297108233 0.54297664715970 137.327 > 4 7 Ba 0.70868936707185 0.05756963774900 0.04297664715970 137.327 > 7 8 Ba 0.70868936707185 0.39090297108233 0.04297664715970 137.327 > 7 9 Ba 0.70868936707185 0.72423630441567 0.04297664715970 137.327 > 7 10 Ba 0.54302552497963 0.06094883280370 0.36513441901419 137.327 > 10 11 Ba 0.54302552497963 0.39428216613704 0.36513441901419 137.327 > 10 12 Ba 0.54302552497963 0.72761549947037 0.36513441901419 137.327 > 10 13 Ba 0.45697447502037 0.27238450052963 0.86513441901419 137.327 > 13 14 Ba 0.45697447502037 0.60571783386296 0.86513441901419 137.327 > 13 15 Ba 0.45697447502037 0.93905116719630 0.86513441901419 137.327 > 13 16 Ba 0.29131063292815 0.27576369558433 0.54297664715970 137.327 > 16 17 Ba 0.29131063292815 0.60909702891767 0.54297664715970 137.327 > 16 18 Ba 0.29131063292815 0.94243036225100 0.54297664715970 137.327 > 16 19 Ba 0.20868936707185 0.10909702891767 0.04297664715970 137.327 > 19 20 Ba 0.20868936707185 0.44243036225100 0.04297664715970 137.327 > 19 21 Ba 0.20868936707185 0.77576369558433 0.04297664715970 137.327 > 19 22 Ba 0.04302552497963 0.10571783386296 0.36513441901419 137.327 > 22 23 Ba 0.04302552497963 0.43905116719630 0.36513441901419 137.327 > 22 24 Ba 0.04302552497963 0.77238450052963 0.36513441901419 137.327 > 22 25 Cu 0.98741403636558 0.27898441512797 0.15746824686938 63.546 > 25 26 Cu 0.98741403636558 0.61231774846130 0.15746824686938 63.546 > 25 27 Cu 0.98741403636558 0.94565108179463 0.15746824686938 63.546 > 25 28 Cu 0.76442651307035 0.22019881135299 0.24699699760069 63.546 > 28 29 Cu 0.76442651307035 0.55353214468632 0.24699699760069 63.546 > 28 30 Cu 0.76442651307035 0.88686547801966 0.24699699760069 63.546 > 28 31 Cu 0.73557348692965 0.05353214468632 0.74699699760069 63.546 > 31 32 Cu 0.73557348692965 0.38686547801966 0.74699699760069 63.546 > 31 33 Cu 0.73557348692965 0.72019881135299 0.74699699760069 63.546 > 31 34 Cu 0.51258596363442 0.11231774846130 0.65746824686938 63.546 > 34 35 Cu 0.51258596363442 0.44565108179463 0.65746824686938 63.546 > 34 36 Cu 0.51258596363442 0.77898441512797 0.65746824686938 63.546 > 34 37 Cu 0.48741403636558 0.22101558487203 0.15746824686938 63.546 > 37 38 Cu 0.48741403636558 0.55434891820537 0.15746824686938 63.546 > 37 39 Cu 0.48741403636558 0.88768225153870 0.15746824686938 63.546 > 37 40 Cu 0.26442651307035 0.27980118864701 0.24699699760069 63.546 > 40 41 Cu 0.26442651307035 0.61313452198034 0.24699699760069 63.546 > 40 42 Cu 0.26442651307035 0.94646785531368 0.24699699760069 63.546 > 40 43 Cu 0.23557348692965 0.11313452198034 0.74699699760069 63.546 > 43 44 Cu 0.23557348692965 0.44646785531368 0.74699699760069 63.546 > 43 45 Cu 0.23557348692965 0.77980118864701 0.74699699760069 63.546 > 43 46 Cu 0.01258596363442 0.05434891820537 0.65746824686938 63.546 > 46 47 Cu 0.01258596363442 0.38768225153870 0.65746824686938 63.546 > 46 48 Cu 0.01258596363442 0.72101558487203 0.65746824686938 63.546 > 46 49 O 0.91794390998856 0.27544285708814 0.27964919067490 15.999 > 49 50 O 0.91794390998856 0.60877619042147 0.27964919067490 15.999 > 49 51 O 0.91794390998856 0.94210952375480 0.27964919067490 15.999 > 49 52 O 0.95516701923940 0.05734273951349 0.53397164665515 15.999 > 52 53 O 0.95516701923940 0.39067607284683 0.53397164665515 15.999 > 52 54 O 0.95516701923940 0.72400940618016 0.53397164665515 15.999 > 52 55 O 0.87491594530170 0.31551596546069 0.70315017986597 15.999 > 55 56 O 0.87491594530170 0.64884929879403 0.70315017986597 15.999 > 55 57 O 0.87491594530170 0.98218263212736 0.70315017986597 15.999 > 55 58 O 0.83500319662002 0.22132389497175 0.12469921058583 15.999 > 58 59 O 0.83500319662002 0.55465722830508 0.12469921058583 15.999 > 58 60 O 0.83500319662002 0.88799056163841 0.12469921058583 15.999 > 58 61 O 0.79305281828586 0.05924542029390 0.86995340157420 15.999 > 61 62 O 0.79305281828586 0.39257875362724 0.86995340157420 15.999 > 61 63 O 0.79305281828586 0.72591208696057 0.86995340157420 15.999 > 61 64 O 0.70694718171414 0.22591208696057 0.36995340157420 15.999 > 64 65 O 0.70694718171414 0.55924542029390 0.36995340157420 15.999 > 64 66 O 0.70694718171414 0.89257875362724 0.36995340157420 15.999 > 64 67 O 0.66499680337998 0.05465722830508 0.62469921058583 15.999 > 67 68 O 0.66499680337998 0.38799056163841 0.62469921058583 15.999 > 67 69 O 0.66499680337998 0.72132389497175 0.62469921058583 15.999 > 67 70 O 0.62508405469830 0.14884929879403 0.20315017986597 15.999 > 70 71 O 0.62508405469830 0.48218263212736 0.20315017986597 15.999 > 70 72 O 0.62508405469830 0.81551596546069 0.20315017986597 15.999 > 70 73 O 0.54483298076060 0.22400940618016 0.03397164665515 15.999 > 73 74 O 0.54483298076060 0.55734273951349 0.03397164665515 15.999 > 73 75 O 0.54483298076060 0.89067607284683 0.03397164665515 15.999 > 73 76 O 0.58205609001144 0.10877619042147 0.77964919067490 15.999 > 76 77 O 0.58205609001144 0.44210952375480 0.77964919067490 15.999 > 76 78 O 0.58205609001144 0.77544285708814 0.77964919067490 15.999 > 76 79 O 0.41794390998856 0.22455714291186 0.27964919067490 15.999 > 79 80 O 0.41794390998856 0.55789047624520 0.27964919067490 15.999 > 79 81 O 0.41794390998856 0.89122380957853 0.27964919067490 15.999 > 79 82 O 0.45516701923940 0.10932392715317 0.53397164665515 15.999 > 82 83 O 0.45516701923940 0.44265726048651 0.53397164665515 15.999 > 82 84 O 0.45516701923940 0.77599059381984 0.53397164665515 15.999 > 82 85 O 0.37491594530170 0.18448403453931 0.70315017986597 15.999 > 85 86 O 0.37491594530170 0.51781736787264 0.70315017986597 15.999 > 85 87 O 0.37491594530170 0.85115070120597 0.70315017986597 15.999 > 85 88 O 0.33500319662002 0.27867610502825 0.12469921058583 15.999 > 88 89 O 0.33500319662002 0.61200943836158 0.12469921058583 15.999 > 88 90 O 0.33500319662002 0.94534277169492 0.12469921058583 15.999 > 88 91 O 0.29305281828586 0.10742124637276 0.86995340157420 15.999 > 91 92 O 0.29305281828586 0.44075457970610 0.86995340157420 15.999 > 91 93 O 0.29305281828586 0.77408791303943 0.86995340157420 15.999 > 91 94 O 0.20694718171414 0.27408791303943 0.36995340157420 15.999 > 94 95 O 0.20694718171414 0.60742124637276 0.36995340157420 15.999 > 94 96 O 0.20694718171414 0.94075457970610 0.36995340157420 15.999 > 94 97 O 0.16499680337998 0.11200943836159 0.62469921058583 15.999 > 97 98 O 0.16499680337998 0.44534277169492 0.62469921058583 15.999 > 97 99 O 0.16499680337998 0.77867610502825 0.62469921058583 15.999 > 97 100 O 0.12508405469830 0.01781736787264 0.20315017986597 15.999 > 100 101 O 0.12508405469830 0.35115070120597 0.20315017986597 15.999 > 100 102 O 0.12508405469830 0.68448403453931 0.20315017986597 15.999 > 100 103 O 0.04483298076060 0.27599059381984 0.03397164665515 15.999 > 103 104 O 0.04483298076060 0.60932392715317 0.03397164665515 15.999 > 103 105 O 0.04483298076060 0.94265726048651 0.03397164665515 15.999 > 103 106 O 0.08205609001144 0.05789047624520 0.77964919067490 15.999 > 106 107 O 0.08205609001144 0.39122380957853 0.77964919067490 15.999 > 106 108 O 0.08205609001144 0.72455714291186 0.77964919067490 15.999 > 106 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 8.3647564 0.0000000 0.0000000 0.0000000 4.3114778 0.0000000 0.0000000 0.0000000 5.6765458 -------------------------- Born effective charges -------------------------- 1 Ba 2.5845536 0.0435503 -0.2596387 -0.3000153 2.9201665 -0.2999468 0.3947888 0.0052418 3.1103919 2 Ba 2.5865199 -0.0422925 -0.2676712 0.1097709 2.9108779 0.2829264 0.3291353 0.1948273 3.1055585 3 Ba 2.5865199 0.0422925 0.2676712 -0.1097709 2.9108779 0.2829264 -0.3291353 0.1948273 3.1055585 4 Ba 2.5845536 -0.0435503 0.2596387 0.3000153 2.9201665 -0.2999468 -0.3947888 0.0052418 3.1103919 5 Ba 2.5845536 -0.0435503 -0.2596387 0.3000153 2.9201665 0.2999468 0.3947888 -0.0052418 3.1103919 6 Ba 2.5865199 0.0422925 -0.2676712 -0.1097709 2.9108779 -0.2829264 0.3291353 -0.1948273 3.1055585 7 Ba 2.5865199 -0.0422925 0.2676712 0.1097709 2.9108779 -0.2829264 -0.3291353 -0.1948273 3.1055585 8 Ba 2.5845536 0.0435503 0.2596387 -0.3000153 2.9201665 0.2999468 -0.3947888 -0.0052418 3.1103919 9 Cu 2.1216829 1.0120782 -0.4607173 0.4145764 0.3131951 0.0513960 -0.6087068 -0.0331437 1.2017192 10 Cu 2.1544489 0.9851905 -0.4489876 0.3247641 0.2756324 0.0603295 -0.6721196 -0.0591402 1.1080991 11 Cu 2.1544489 -0.9851905 0.4489876 -0.3247641 0.2756324 0.0603295 0.6721196 -0.0591402 1.1080991 12 Cu 2.1216829 -1.0120782 0.4607173 -0.4145764 0.3131951 0.0513960 0.6087068 -0.0331437 1.2017192 13 Cu 2.1216829 -1.0120782 -0.4607173 -0.4145764 0.3131951 -0.0513960 -0.6087068 0.0331437 1.2017192 14 Cu 2.1544489 -0.9851905 -0.4489876 -0.3247641 0.2756324 -0.0603295 -0.6721196 0.0591402 1.1080991 15 Cu 2.1544489 0.9851905 0.4489876 0.3247641 0.2756324 -0.0603295 0.6721196 0.0591402 1.1080991 16 Cu 2.1216829 1.0120782 0.4607173 0.4145764 0.3131951 -0.0513960 0.6087068 0.0331437 1.2017192 17 O -1.6449374 -0.3847400 -0.3432704 0.0591467 -0.9901321 -0.0145013 -0.1024715 0.0789944 -1.0212793 18 O -1.8257589 0.1679381 -0.6072746 0.1789143 -1.6390197 -0.1966231 -0.2753181 0.1297503 -2.8201744 19 O -2.5327086 -0.0139229 0.7647553 0.0195482 -1.1932252 0.0078075 -0.2402572 -0.0291267 -0.7895788 20 O -1.6801769 -0.3813529 -0.3213515 0.0509563 -1.0119402 -0.0352022 -0.1195989 -0.0142825 -1.1109857 21 O -1.7636234 -0.1706178 -0.6356940 -0.0817588 -1.5855547 0.1384844 -0.3338079 -0.0304103 -2.7837506 22 O -1.7636234 0.1706178 0.6356940 0.0817588 -1.5855547 0.1384844 0.3338079 -0.0304103 -2.7837506 23 O -1.6801769 0.3813529 0.3213515 -0.0509563 -1.0119402 -0.0352022 0.1195989 -0.0142825 -1.1109857 24 O -2.5327086 0.0139229 -0.7647553 -0.0195482 -1.1932252 0.0078075 0.2402572 -0.0291267 -0.7895788 25 O -1.8257589 -0.1679381 0.6072746 -0.1789143 -1.6390197 -0.1966231 0.2753181 0.1297503 -2.8201744 26 O -1.6449374 0.3847400 0.3432704 -0.0591467 -0.9901321 -0.0145013 0.1024715 0.0789944 -1.0212793 27 O -1.6449374 0.3847400 -0.3432704 -0.0591467 -0.9901321 0.0145013 -0.1024715 -0.0789944 -1.0212793 28 O -1.8257589 -0.1679381 -0.6072746 -0.1789143 -1.6390197 0.1966231 -0.2753181 -0.1297503 -2.8201744 29 O -2.5327086 0.0139229 0.7647553 -0.0195482 -1.1932252 -0.0078075 -0.2402572 0.0291267 -0.7895788 30 O -1.6801769 0.3813529 -0.3213515 -0.0509563 -1.0119402 0.0352022 -0.1195989 0.0142825 -1.1109857 31 O -1.7636234 0.1706178 -0.6356940 0.0817588 -1.5855547 -0.1384844 -0.3338079 0.0304103 -2.7837506 32 O -1.7636234 -0.1706178 0.6356940 -0.0817588 -1.5855547 -0.1384844 0.3338079 0.0304103 -2.7837506 33 O -1.6801769 -0.3813529 0.3213515 0.0509563 -1.0119402 0.0352022 0.1195989 0.0142825 -1.1109857 34 O -2.5327086 -0.0139229 -0.7647553 0.0195482 -1.1932252 -0.0078075 0.2402572 0.0291267 -0.7895788 35 O -1.8257589 0.1679381 0.6072746 0.1789143 -1.6390197 0.1966231 0.2753181 -0.1297503 -2.8201744 36 O -1.6449374 -0.3847400 0.3432704 0.0591467 -0.9901321 0.0145013 0.1024715 -0.0789944 -1.0212793 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000000 (zzz) 0.00000000 (zzz) 0.00000000 (zzz) Max drift of fc2: 0.00000000 (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 12 4 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.49, Number of G-points: 279, Lambda: 0.13 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/63) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 63 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 0.989 ( 0.000 0.000 -0.000) 0.000 1.386 ( 0.000 0.000 0.000) 0.000 1.440 ( 0.000 0.000 0.000) 0.000 1.473 ( 0.000 0.000 0.000) 0.000 1.554 ( 0.000 0.000 -0.000) 0.000 1.706 ( 0.000 0.000 0.000) 0.000 1.820 ( 0.000 0.000 0.000) 0.000 1.837 ( 0.000 0.000 -0.000) 0.000 1.868 ( 0.000 0.000 0.000) 0.000 1.976 ( 0.000 0.000 -0.000) 0.000 2.044 ( 0.000 0.000 0.000) 0.000 2.099 ( 0.000 0.000 0.000) 0.000 2.137 ( 0.000 0.000 -0.000) 0.000 2.647 ( 0.000 0.000 0.000) 0.000 2.722 ( 0.000 0.000 0.000) 0.000 2.814 ( 0.000 0.000 -0.000) 0.000 2.959 ( 0.000 0.000 0.000) 0.000 3.191 ( 0.000 0.000 0.000) 0.000 3.212 ( 0.000 0.000 -0.000) 0.000 3.444 ( 0.000 0.000 -0.000) 0.000 3.543 ( 0.000 0.000 0.000) 0.000 3.606 ( 0.000 0.000 -0.000) 0.000 3.721 ( 0.000 0.000 0.000) 0.000 3.789 ( 0.000 0.000 -0.000) 0.000 3.803 ( 0.000 0.000 -0.000) 0.000 3.899 ( 0.000 0.000 0.000) 0.000 3.955 ( 0.000 0.000 -0.000) 0.000 4.202 ( 0.000 0.000 -0.000) 0.000 4.329 ( 0.000 0.000 -0.000) 0.000 4.370 ( 0.000 0.000 0.000) 0.000 4.443 ( 0.000 0.000 0.000) 0.000 4.534 ( 0.000 0.000 0.000) 0.000 4.549 ( 0.000 0.000 0.000) 0.000 4.696 ( 0.000 0.000 -0.000) 0.000 4.738 ( 0.000 0.000 -0.000) 0.000 5.188 ( 0.000 0.000 -0.000) 0.000 5.205 ( 0.000 0.000 0.000) 0.000 5.346 ( 0.000 0.000 0.000) 0.000 5.407 ( 0.000 0.000 0.000) 0.000 5.435 ( 0.000 0.000 -0.000) 0.000 5.591 ( 0.000 0.000 -0.000) 0.000 5.957 ( 0.000 0.000 0.000) 0.000 6.010 ( 0.000 0.000 0.000) 0.000 6.131 ( 0.000 0.000 -0.000) 0.000 6.144 ( 0.000 0.000 0.000) 0.000 6.433 ( 0.000 0.000 -0.000) 0.000 6.445 ( 0.000 0.000 0.000) 0.000 7.216 ( 0.000 0.000 0.000) 0.000 7.414 ( 0.000 0.000 0.000) 0.000 7.590 ( 0.000 0.000 0.000) 0.000 7.606 ( 0.000 0.000 0.000) 0.000 7.672 ( 0.000 0.000 0.000) 0.000 7.711 ( 0.000 0.000 0.000) 0.000 7.931 ( 0.000 0.000 0.000) 0.000 7.954 ( 0.000 0.000 0.000) 0.000 7.993 ( 0.000 0.000 -0.000) 0.000 8.122 ( 0.000 0.000 -0.000) 0.000 8.200 ( 0.000 0.000 0.000) 0.000 8.455 ( 0.000 0.000 0.000) 0.000 8.822 ( 0.000 0.000 -0.000) 0.000 8.852 ( 0.000 0.000 0.000) 0.000 9.008 ( 0.000 0.000 0.000) 0.000 9.024 ( 0.000 0.000 0.000) 0.000 9.247 ( 0.000 0.000 -0.000) 0.000 9.264 ( 0.000 0.000 0.000) 0.000 9.823 ( 0.000 0.000 0.000) 0.000 9.833 ( 0.000 0.000 0.000) 0.000 10.103 ( 0.000 0.000 0.000) 0.000 10.381 ( 0.000 0.000 -0.000) 0.000 12.085 ( 0.000 0.000 -0.000) 0.000 12.107 ( 0.000 0.000 -0.000) 0.000 12.138 ( 0.000 0.000 0.000) 0.000 12.474 ( 0.000 0.000 0.000) 0.000 13.291 ( 0.000 0.000 0.000) 0.000 13.299 ( 0.000 0.000 0.000) 0.000 13.539 ( 0.000 0.000 0.000) 0.000 13.739 ( 0.000 0.000 0.000) 0.000 15.066 ( 0.000 0.000 -0.000) 0.000 15.084 ( 0.000 0.000 -0.000) 0.000 15.086 ( 0.000 0.000 -0.000) 0.000 15.298 ( 0.000 0.000 0.000) 0.000 15.667 ( 0.000 0.000 0.000) 0.000 15.725 ( 0.000 0.000 0.000) 0.000 15.852 ( 0.000 0.000 -0.000) 0.000 15.884 ( 0.000 0.000 -0.000) 0.000 17.660 ( 0.000 0.000 0.000) 0.000 17.703 ( 0.000 0.000 -0.000) 0.000 17.755 ( 0.000 0.000 0.000) 0.000 17.837 ( 0.000 0.000 -0.000) 0.000 17.989 ( 0.000 0.000 0.000) 0.000 18.112 ( 0.000 0.000 0.000) 0.000 18.209 ( 0.000 0.000 -0.000) 0.000 18.353 ( 0.000 0.000 0.000) 0.000 18.471 ( 0.000 0.000 -0.000) 0.000 18.501 ( 0.000 0.000 0.000) 0.000 18.564 ( 0.000 0.000 -0.000) 0.000 18.731 ( 0.000 0.000 0.000) 0.000 18.833 ( 0.000 0.000 -0.000) 0.000 18.985 ( 0.000 0.000 0.000) 0.000 19.044 ( 0.000 0.000 -0.000) 0.000 19.096 ( 0.000 0.000 0.000) 0.000 19.512 ( 0.000 0.000 0.000) 0.000 19.834 ( 0.000 0.000 -0.000) 0.000 20.123 ( 0.000 0.000 -0.000) 0.000 20.142 ( 0.000 0.000 -0.000) 0.000 ======================= Grid point 1 (2/63) ======================= q-point: ( 0.20 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.328 ( 16.973 0.000 0.000) 16.973 0.371 ( 19.305 0.000 0.000) 19.305 0.551 ( 28.073 0.000 0.000) 28.073 0.992 ( 0.141 0.000 0.000) 0.141 1.247 ( -4.600 0.000 0.000) 4.600 1.437 ( -5.784 0.000 0.000) 5.784 1.572 ( 4.018 0.000 0.000) 4.018 1.580 ( -11.502 0.000 0.000) 11.502 1.617 ( -0.171 0.000 0.000) 0.171 1.733 ( -1.350 0.000 0.000) 1.350 1.769 ( -4.675 0.000 0.000) 4.675 1.797 ( -0.630 0.000 0.000) 0.630 1.932 ( 1.106 0.000 0.000) 1.106 2.102 ( 1.899 0.000 0.000) 1.899 2.171 ( 2.011 0.000 0.000) 2.011 2.263 ( 8.654 0.000 0.000) 8.654 2.432 ( -20.520 0.000 0.000) 20.520 2.553 ( -9.508 0.000 0.000) 9.508 2.728 ( -10.165 0.000 0.000) 10.165 3.125 ( 3.367 0.000 0.000) 3.367 3.286 ( 10.658 0.000 0.000) 10.658 3.320 ( -5.997 0.000 0.000) 5.997 3.373 ( 9.417 0.000 0.000) 9.417 3.591 ( -0.689 0.000 0.000) 0.689 3.759 ( 3.923 0.000 0.000) 3.923 3.845 ( 3.627 0.000 0.000) 3.627 3.882 ( -1.558 0.000 0.000) 1.558 3.950 ( 13.589 0.000 0.000) 13.589 3.962 ( 0.228 0.000 0.000) 0.228 4.156 ( -4.180 0.000 0.000) 4.180 4.184 ( -0.982 0.000 0.000) 0.982 4.359 ( 3.968 0.000 0.000) 3.968 4.398 ( 2.084 0.000 0.000) 2.084 4.432 ( -0.770 0.000 0.000) 0.770 4.554 ( 2.445 0.000 0.000) 2.445 4.574 ( -10.635 0.000 0.000) 10.635 4.609 ( 6.560 0.000 0.000) 6.560 4.693 ( -4.331 0.000 0.000) 4.331 5.046 ( -6.020 0.000 0.000) 6.020 5.176 ( -4.966 0.000 0.000) 4.966 5.512 ( 8.026 0.000 0.000) 8.026 5.546 ( 8.923 0.000 0.000) 8.923 5.571 ( 15.412 0.000 0.000) 15.412 5.639 ( 2.678 0.000 0.000) 2.678 5.997 ( -0.661 0.000 0.000) 0.661 6.008 ( 0.156 0.000 0.000) 0.156 6.066 ( -3.436 0.000 0.000) 3.436 6.101 ( -4.947 0.000 0.000) 4.947 6.459 ( 5.239 0.000 0.000) 5.239 6.551 ( 5.397 0.000 0.000) 5.397 7.089 ( -12.339 0.000 0.000) 12.339 7.223 ( -17.843 0.000 0.000) 17.843 7.584 ( -0.220 0.000 0.000) 0.220 7.607 ( 0.049 0.000 0.000) 0.049 7.677 ( 0.318 0.000 0.000) 0.318 7.708 ( -0.399 0.000 0.000) 0.399 7.873 ( -5.304 0.000 0.000) 5.304 7.928 ( -0.952 0.000 0.000) 0.952 8.012 ( 1.302 0.000 0.000) 1.302 8.070 ( -5.931 0.000 0.000) 5.931 8.478 ( 8.435 0.000 0.000) 8.435 8.577 ( 8.763 0.000 0.000) 8.763 8.753 ( -4.295 0.000 0.000) 4.295 8.842 ( -2.341 0.000 0.000) 2.341 8.981 ( -2.250 0.000 0.000) 2.250 9.010 ( -4.821 0.000 0.000) 4.821 9.170 ( -9.226 0.000 0.000) 9.226 9.192 ( -4.374 0.000 0.000) 4.374 9.845 ( 8.108 0.000 0.000) 8.108 10.053 ( 13.156 0.000 0.000) 13.156 10.122 ( 1.303 0.000 0.000) 1.303 10.390 ( 0.433 0.000 0.000) 0.433 12.068 ( -0.505 0.000 0.000) 0.505 12.142 ( 2.602 0.000 0.000) 2.602 12.207 ( -3.329 0.000 0.000) 3.329 12.418 ( -5.419 0.000 0.000) 5.419 13.341 ( 5.299 0.000 0.000) 5.299 13.354 ( 4.986 0.000 0.000) 4.986 13.545 ( 0.238 0.000 0.000) 0.238 13.705 ( -3.575 0.000 0.000) 3.575 15.076 ( 1.370 0.000 0.000) 1.370 15.096 ( 1.121 0.000 0.000) 1.121 15.114 ( 0.155 0.000 0.000) 0.155 15.287 ( -1.425 0.000 0.000) 1.425 15.662 ( -0.476 0.000 0.000) 0.476 15.733 ( 0.981 0.000 0.000) 0.981 15.792 ( -5.612 0.000 0.000) 5.612 15.864 ( -2.035 0.000 0.000) 2.035 17.676 ( -2.731 0.000 0.000) 2.731 17.716 ( 1.199 0.000 0.000) 1.199 17.728 ( -2.556 0.000 0.000) 2.556 17.841 ( -0.060 0.000 0.000) 0.060 17.982 ( 0.581 0.000 0.000) 0.581 18.117 ( 0.194 0.000 0.000) 0.194 18.247 ( 3.978 0.000 0.000) 3.978 18.353 ( 0.188 0.000 0.000) 0.188 18.458 ( -3.166 0.000 0.000) 3.166 18.551 ( -1.368 0.000 0.000) 1.368 18.554 ( 5.762 0.000 0.000) 5.762 18.745 ( -7.972 0.000 0.000) 7.972 18.810 ( -8.378 0.000 0.000) 8.378 18.964 ( -4.133 0.000 0.000) 4.133 19.225 ( 8.305 0.000 0.000) 8.305 19.361 ( 3.111 0.000 0.000) 3.111 19.682 ( 12.847 0.000 0.000) 12.847 20.099 ( -2.465 0.000 0.000) 2.465 20.135 ( -0.638 0.000 0.000) 0.638 20.232 ( -3.456 0.000 0.000) 3.456 ======================= Grid point 2 (3/63) ======================= q-point: ( 0.40 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.609 ( 11.027 0.000 0.000) 11.027 0.648 ( 7.638 0.000 0.000) 7.638 1.013 ( 4.046 0.000 0.000) 4.046 1.036 ( 22.713 0.000 0.000) 22.713 1.202 ( -14.725 0.000 0.000) 14.725 1.257 ( 4.332 0.000 0.000) 4.332 1.410 ( -14.462 0.000 0.000) 14.462 1.420 ( -8.417 0.000 0.000) 8.417 1.651 ( 4.082 0.000 0.000) 4.082 1.698 ( -0.920 0.000 0.000) 0.920 1.799 ( 7.630 0.000 0.000) 7.630 1.973 ( 6.008 0.000 0.000) 6.008 2.010 ( 13.475 0.000 0.000) 13.475 2.052 ( -16.351 0.000 0.000) 16.351 2.146 ( 2.490 0.000 0.000) 2.490 2.177 ( -1.440 0.000 0.000) 1.440 2.198 ( -13.939 0.000 0.000) 13.939 2.317 ( -14.691 0.000 0.000) 14.691 2.719 ( 10.001 0.000 0.000) 10.001 2.961 ( -13.930 0.000 0.000) 13.930 3.413 ( 7.728 0.000 0.000) 7.728 3.449 ( 4.751 0.000 0.000) 4.751 3.515 ( 5.124 0.000 0.000) 5.124 3.574 ( -1.629 0.000 0.000) 1.629 3.848 ( 4.580 0.000 0.000) 4.580 3.856 ( -0.381 0.000 0.000) 0.381 3.884 ( 0.075 0.000 0.000) 0.075 3.939 ( -3.074 0.000 0.000) 3.074 4.077 ( -3.575 0.000 0.000) 3.575 4.079 ( -2.932 0.000 0.000) 2.932 4.197 ( 9.149 0.000 0.000) 9.149 4.363 ( -9.446 0.000 0.000) 9.446 4.396 ( 2.338 0.000 0.000) 2.338 4.427 ( -0.598 0.000 0.000) 0.598 4.529 ( 5.243 0.000 0.000) 5.243 4.611 ( -4.032 0.000 0.000) 4.032 4.714 ( 13.061 0.000 0.000) 13.061 4.798 ( 12.895 0.000 0.000) 12.895 4.929 ( -8.248 0.000 0.000) 8.248 5.033 ( -10.579 0.000 0.000) 10.579 5.635 ( 4.346 0.000 0.000) 4.346 5.659 ( 1.914 0.000 0.000) 1.914 5.722 ( 5.282 0.000 0.000) 5.282 5.767 ( 2.581 0.000 0.000) 2.581 5.996 ( 0.930 0.000 0.000) 0.930 6.024 ( -1.464 0.000 0.000) 1.464 6.032 ( 2.277 0.000 0.000) 2.277 6.050 ( 0.310 0.000 0.000) 0.310 6.584 ( 8.504 0.000 0.000) 8.504 6.633 ( 5.855 0.000 0.000) 5.855 6.819 ( -14.759 0.000 0.000) 14.759 6.855 ( -18.268 0.000 0.000) 18.268 7.586 ( 0.445 0.000 0.000) 0.445 7.601 ( -0.865 0.000 0.000) 0.865 7.686 ( 0.718 0.000 0.000) 0.718 7.701 ( -0.477 0.000 0.000) 0.477 7.821 ( 2.004 0.000 0.000) 2.004 7.933 ( -7.785 0.000 0.000) 7.785 7.956 ( 3.586 0.000 0.000) 3.586 8.018 ( -1.835 0.000 0.000) 1.835 8.650 ( 8.090 0.000 0.000) 8.090 8.685 ( 2.786 0.000 0.000) 2.786 8.700 ( -1.386 0.000 0.000) 1.386 8.776 ( -4.360 0.000 0.000) 4.360 8.916 ( -1.659 0.000 0.000) 1.659 8.985 ( -8.435 0.000 0.000) 8.435 9.010 ( 4.105 0.000 0.000) 4.105 9.106 ( -5.140 0.000 0.000) 5.140 10.016 ( 8.104 0.000 0.000) 8.104 10.117 ( -2.503 0.000 0.000) 2.503 10.265 ( 8.739 0.000 0.000) 8.739 10.373 ( -2.883 0.000 0.000) 2.883 12.080 ( 1.838 0.000 0.000) 1.838 12.135 ( -3.781 0.000 0.000) 3.781 12.203 ( 4.114 0.000 0.000) 4.114 12.301 ( -6.191 0.000 0.000) 6.191 13.457 ( 5.240 0.000 0.000) 5.240 13.471 ( 7.816 0.000 0.000) 7.816 13.530 ( -2.268 0.000 0.000) 2.268 13.609 ( -6.427 0.000 0.000) 6.427 15.107 ( 0.937 0.000 0.000) 0.937 15.115 ( -0.108 0.000 0.000) 0.108 15.139 ( 4.214 0.000 0.000) 4.214 15.231 ( -4.553 0.000 0.000) 4.553 15.657 ( 0.310 0.000 0.000) 0.310 15.692 ( -3.856 0.000 0.000) 3.856 15.764 ( 2.256 0.000 0.000) 2.256 15.815 ( -2.960 0.000 0.000) 2.960 17.646 ( -0.031 0.000 0.000) 0.031 17.674 ( -2.669 0.000 0.000) 2.669 17.753 ( 2.991 0.000 0.000) 2.991 17.815 ( -2.833 0.000 0.000) 2.833 18.032 ( 3.983 0.000 0.000) 3.983 18.099 ( -2.485 0.000 0.000) 2.485 18.328 ( 3.665 0.000 0.000) 3.665 18.360 ( 0.090 0.000 0.000) 0.090 18.445 ( 2.631 0.000 0.000) 2.631 18.529 ( 0.040 0.000 0.000) 0.040 18.540 ( -6.372 0.000 0.000) 6.372 18.596 ( -6.771 0.000 0.000) 6.771 18.784 ( 5.160 0.000 0.000) 5.160 18.885 ( -4.720 0.000 0.000) 4.720 19.359 ( 5.231 0.000 0.000) 5.231 19.404 ( 0.446 0.000 0.000) 0.446 19.897 ( 9.226 0.000 0.000) 9.226 20.029 ( -5.121 0.000 0.000) 5.121 20.129 ( 0.436 0.000 0.000) 0.436 20.163 ( -3.151 0.000 0.000) 3.151 ======================= Grid point 5 (4/63) ======================= q-point: ( 0.00 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.299 ( 0.000 15.883 0.000) 15.883 0.360 ( 0.000 18.549 0.000) 18.549 0.657 ( 0.000 32.115 0.000) 32.115 1.172 ( 0.000 14.261 0.000) 14.261 1.376 ( 0.000 1.390 0.000) 1.390 1.467 ( 0.000 4.031 0.000) 4.031 1.555 ( 0.000 4.349 0.000) 4.349 1.609 ( 0.000 5.712 0.000) 5.712 1.803 ( 0.000 -1.635 0.000) 1.635 1.868 ( 0.000 12.245 0.000) 12.245 1.919 ( 0.000 5.198 0.000) 5.198 1.928 ( 0.000 7.740 0.000) 7.740 1.999 ( 0.000 -0.095 0.000) 0.095 2.060 ( 0.000 3.424 0.000) 3.424 2.166 ( 0.000 10.823 0.000) 10.823 2.311 ( 0.000 13.275 0.000) 13.275 2.609 ( 0.000 -3.054 0.000) 3.054 2.719 ( 0.000 -0.111 0.000) 0.111 2.840 ( 0.000 1.740 0.000) 1.740 3.007 ( 0.000 2.894 0.000) 2.894 3.166 ( 0.000 -1.223 0.000) 1.223 3.174 ( 0.000 -3.612 0.000) 3.612 3.397 ( 0.000 -4.608 0.000) 4.608 3.531 ( 0.000 -1.215 0.000) 1.215 3.598 ( 0.000 -0.519 0.000) 0.519 3.696 ( 0.000 -3.243 0.000) 3.243 3.804 ( 0.000 2.031 0.000) 2.031 3.830 ( 0.000 2.427 0.000) 2.427 3.917 ( 0.000 1.536 0.000) 1.536 4.092 ( 0.000 -1.051 0.000) 1.051 4.303 ( 0.000 -8.066 0.000) 8.066 4.344 ( 0.000 1.518 0.000) 1.518 4.372 ( 0.000 -3.840 0.000) 3.840 4.526 ( 0.000 3.012 0.000) 3.012 4.552 ( 0.000 0.392 0.000) 0.392 4.715 ( 0.000 3.146 0.000) 3.146 4.792 ( 0.000 -0.737 0.000) 0.737 4.865 ( 0.000 7.418 0.000) 7.418 5.184 ( 0.000 -0.419 0.000) 0.419 5.291 ( 0.000 -1.485 0.000) 1.485 5.346 ( 0.000 -0.105 0.000) 0.105 5.399 ( 0.000 -0.751 0.000) 0.751 5.478 ( 0.000 3.609 0.000) 3.609 5.601 ( 0.000 0.678 0.000) 0.678 6.002 ( 0.000 4.333 0.000) 4.333 6.080 ( 0.000 6.715 0.000) 6.715 6.178 ( 0.000 3.490 0.000) 3.490 6.380 ( 0.000 3.946 0.000) 3.946 6.562 ( 0.000 10.337 0.000) 10.337 6.710 ( 0.000 1.291 0.000) 1.291 7.215 ( 0.000 -0.101 0.000) 0.101 7.395 ( 0.000 -1.734 0.000) 1.734 7.606 ( 0.000 1.354 0.000) 1.354 7.619 ( 0.000 2.011 0.000) 2.011 7.719 ( 0.000 0.887 0.000) 0.887 7.731 ( 0.000 5.024 0.000) 5.024 7.922 ( 0.000 -1.716 0.000) 1.716 7.933 ( 0.000 -1.910 0.000) 1.910 8.022 ( 0.000 2.860 0.000) 2.860 8.121 ( 0.000 0.020 0.000) 0.020 8.198 ( 0.000 0.011 0.000) 0.011 8.446 ( 0.000 -0.806 0.000) 0.806 8.889 ( 0.000 6.267 0.000) 6.267 9.032 ( 0.000 2.226 0.000) 2.226 9.046 ( 0.000 2.085 0.000) 2.085 9.254 ( 0.000 0.763 0.000) 0.763 9.258 ( 0.000 0.617 0.000) 0.617 9.690 ( 0.000 -0.299 0.000) 0.299 9.819 ( 0.000 -1.372 0.000) 1.372 9.986 ( 0.000 -1.022 0.000) 1.022 10.104 ( 0.000 0.091 0.000) 0.091 10.364 ( 0.000 -1.616 0.000) 1.616 12.089 ( 0.000 -0.163 0.000) 0.163 12.102 ( 0.000 -0.273 0.000) 0.273 12.153 ( 0.000 1.291 0.000) 1.291 12.472 ( 0.000 -0.175 0.000) 0.175 13.306 ( 0.000 1.427 0.000) 1.427 13.550 ( 0.000 0.911 0.000) 0.911 13.637 ( 0.000 0.539 0.000) 0.539 13.749 ( 0.000 1.013 0.000) 1.013 15.064 ( 0.000 -0.024 0.000) 0.024 15.085 ( 0.000 0.085 0.000) 0.085 15.099 ( 0.000 1.106 0.000) 1.106 15.298 ( 0.000 0.004 0.000) 0.004 15.676 ( 0.000 -1.322 0.000) 1.322 15.705 ( 0.000 -1.873 0.000) 1.873 15.851 ( 0.000 -0.014 0.000) 0.014 15.887 ( 0.000 0.220 0.000) 0.220 17.655 ( 0.000 -0.467 0.000) 0.467 17.696 ( 0.000 -0.662 0.000) 0.662 17.753 ( 0.000 -0.145 0.000) 0.145 17.830 ( 0.000 -0.755 0.000) 0.755 17.987 ( 0.000 -0.142 0.000) 0.142 18.112 ( 0.000 -0.003 0.000) 0.003 18.219 ( 0.000 0.958 0.000) 0.958 18.353 ( 0.000 -0.109 0.000) 0.109 18.467 ( 0.000 -0.483 0.000) 0.483 18.487 ( 0.000 -1.843 0.000) 1.843 18.543 ( 0.000 -1.948 0.000) 1.948 18.708 ( 0.000 -2.226 0.000) 2.226 18.811 ( 0.000 -2.144 0.000) 2.144 18.929 ( 0.000 -4.622 0.000) 4.622 19.097 ( 0.000 -0.356 0.000) 0.356 19.110 ( 0.000 -1.666 0.000) 1.666 19.507 ( 0.000 -0.474 0.000) 0.474 19.791 ( 0.000 -4.046 0.000) 4.046 20.102 ( 0.000 -1.944 0.000) 1.944 20.122 ( 0.000 -1.926 0.000) 1.926 ======================= Grid point 6 (5/63) ======================= q-point: ( 0.20 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.371 ( 9.057 11.075 0.000) 14.307 0.635 ( 22.162 8.375 0.000) 23.691 0.780 ( 9.980 25.970 0.000) 27.822 1.137 ( -3.249 10.960 0.000) 11.432 1.327 ( -2.295 7.689 0.000) 8.024 1.440 ( -4.841 0.595 0.000) 4.877 1.566 ( -1.404 0.608 0.000) 1.530 1.622 ( -1.778 3.490 0.000) 3.917 1.691 ( -7.737 7.298 0.000) 10.636 1.771 ( -9.613 2.940 0.000) 10.053 1.793 ( -0.104 3.615 0.000) 3.616 1.950 ( 4.683 11.632 0.000) 12.539 2.037 ( 1.746 9.477 0.000) 9.636 2.182 ( 2.018 8.146 0.000) 8.393 2.255 ( 8.898 0.742 0.000) 8.929 2.303 ( -3.230 8.518 0.000) 9.109 2.427 ( -13.893 2.209 0.000) 14.067 2.594 ( -8.062 4.018 0.000) 9.008 2.770 ( -9.689 3.702 0.000) 10.372 3.090 ( 3.018 -2.810 0.000) 4.123 3.250 ( 0.602 -6.072 0.000) 6.102 3.283 ( 5.772 -4.228 0.000) 7.154 3.331 ( 6.321 -0.381 0.000) 6.333 3.578 ( -1.276 -1.892 0.000) 2.282 3.741 ( 10.469 -5.684 0.000) 11.913 3.747 ( 4.726 -1.076 0.000) 4.847 3.906 ( 0.648 1.580 0.000) 1.708 3.929 ( 10.893 0.343 0.000) 10.899 3.983 ( 11.669 1.619 0.000) 11.781 4.091 ( 1.623 -0.124 0.000) 1.628 4.176 ( -8.574 -3.703 0.000) 9.340 4.369 ( -0.240 -0.668 0.000) 0.710 4.396 ( 3.350 0.377 0.000) 3.371 4.506 ( -5.263 2.211 0.000) 5.709 4.597 ( -4.893 3.264 0.000) 5.881 4.606 ( 3.866 -0.012 0.000) 3.866 4.645 ( -6.812 3.891 0.000) 7.845 4.778 ( -6.744 5.892 0.000) 8.956 5.061 ( -5.760 1.265 0.000) 5.897 5.215 ( -5.881 3.226 0.000) 6.707 5.508 ( 6.074 0.290 0.000) 6.081 5.549 ( 11.071 -0.548 0.000) 11.085 5.585 ( 13.391 1.494 0.000) 13.475 5.649 ( 4.644 0.456 0.000) 4.666 6.024 ( 0.231 2.121 0.000) 2.134 6.035 ( -2.743 5.105 0.000) 5.795 6.145 ( -2.771 6.157 0.000) 6.752 6.267 ( -10.652 10.154 0.000) 14.717 6.511 ( 3.108 4.813 0.000) 5.729 6.661 ( 1.248 9.504 0.000) 9.586 7.087 ( -12.212 -0.101 0.000) 12.213 7.213 ( -16.993 -0.831 0.000) 17.013 7.593 ( -0.819 0.942 0.000) 1.248 7.623 ( -0.201 1.381 0.000) 1.395 7.703 ( -1.175 1.882 0.000) 2.219 7.736 ( -0.570 2.868 0.000) 2.924 7.876 ( -3.920 0.305 0.000) 3.932 7.911 ( -0.186 -1.321 0.000) 1.334 8.033 ( 0.840 2.206 0.000) 2.360 8.077 ( -5.003 0.677 0.000) 5.049 8.352 ( 12.159 -4.969 0.000) 13.135 8.568 ( 8.985 -0.889 0.000) 9.029 8.831 ( -5.086 4.805 0.000) 6.996 8.990 ( -4.416 3.308 0.000) 5.517 9.016 ( -2.326 1.864 0.000) 2.981 9.067 ( -13.496 5.474 0.000) 14.563 9.187 ( -8.050 0.911 0.000) 8.101 9.329 ( -15.114 14.037 0.000) 20.627 9.847 ( 7.838 0.090 0.000) 7.839 10.054 ( 12.192 -0.009 0.000) 12.192 10.121 ( 1.338 -0.135 0.000) 1.345 10.374 ( 0.591 -1.489 0.000) 1.602 12.072 ( -0.476 0.349 0.000) 0.590 12.140 ( 2.484 -0.407 0.000) 2.518 12.185 ( -0.639 -0.848 0.000) 1.062 12.418 ( -5.198 0.057 0.000) 5.198 13.359 ( 5.220 1.340 0.000) 5.389 13.451 ( -2.161 6.721 0.000) 7.060 13.564 ( 0.007 2.005 0.000) 2.005 13.717 ( -3.404 1.172 0.000) 3.600 15.079 ( 1.454 0.270 0.000) 1.479 15.096 ( 1.071 0.008 0.000) 1.071 15.117 ( 0.521 0.411 0.000) 0.664 15.286 ( -1.449 -0.071 0.000) 1.450 15.652 ( -0.959 -1.067 0.000) 1.435 15.715 ( 0.841 -1.653 0.000) 1.854 15.795 ( -5.127 0.219 0.000) 5.132 15.864 ( -2.196 -0.010 0.000) 2.196 17.673 ( -1.374 -0.272 0.000) 1.401 17.707 ( 0.551 -0.633 0.000) 0.839 17.734 ( -1.323 0.309 0.000) 1.358 17.842 ( -0.060 -0.093 0.000) 0.111 17.982 ( 0.743 0.044 0.000) 0.744 18.115 ( 0.020 -0.225 0.000) 0.226 18.221 ( 3.317 -2.006 0.000) 3.876 18.347 ( -0.311 -0.629 0.000) 0.702 18.443 ( -2.332 -1.317 0.000) 2.678 18.526 ( -0.238 -1.958 0.000) 1.972 18.556 ( 3.701 -0.491 0.000) 3.734 18.698 ( -6.021 -3.928 0.000) 7.189 18.780 ( -6.470 -2.658 0.000) 6.995 18.953 ( -3.766 -1.180 0.000) 3.946 19.172 ( 9.634 -4.952 0.000) 10.832 19.290 ( 7.797 -5.288 0.000) 9.421 19.663 ( 12.294 -1.798 0.000) 12.424 19.994 ( 8.863 -14.300 0.000) 16.824 20.079 ( -2.297 -2.043 0.000) 3.074 20.113 ( -0.869 -2.550 0.000) 2.694 ======================= Grid point 7 (6/63) ======================= q-point: ( 0.40 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.613 ( 14.945 4.739 0.000) 15.678 0.850 ( -6.717 12.038 0.000) 13.785 1.051 ( 19.261 3.237 0.000) 19.531 1.136 ( 6.218 9.556 0.000) 11.401 1.259 ( -9.853 5.211 0.000) 11.146 1.337 ( 2.160 7.722 0.000) 8.018 1.420 ( -11.319 1.141 0.000) 11.376 1.498 ( -9.661 6.302 0.000) 11.534 1.694 ( 5.844 3.765 0.000) 6.952 1.765 ( 5.115 3.564 0.000) 6.234 1.816 ( 1.803 7.123 0.000) 7.347 1.988 ( -5.820 2.281 0.000) 6.251 2.052 ( -5.659 3.290 0.000) 6.546 2.123 ( 5.282 6.866 0.000) 8.662 2.194 ( -2.898 5.269 0.000) 6.014 2.266 ( -7.134 8.013 0.000) 10.729 2.364 ( 1.843 15.534 0.000) 15.643 2.460 ( -7.162 11.667 0.000) 13.690 2.697 ( 6.887 -1.802 0.000) 7.119 2.918 ( -13.739 -4.111 0.000) 14.341 3.367 ( 8.185 -3.578 0.000) 8.933 3.411 ( 6.038 -6.732 0.000) 9.043 3.454 ( 2.371 -2.954 0.000) 3.788 3.528 ( -4.258 -5.007 0.000) 6.573 3.852 ( 3.972 0.042 0.000) 3.972 3.857 ( 3.873 1.318 0.000) 4.091 3.905 ( 0.996 1.843 0.000) 2.095 3.985 ( -3.854 2.580 0.000) 4.638 4.068 ( 0.407 0.674 0.000) 0.787 4.127 ( -1.052 3.199 0.000) 3.368 4.219 ( 6.891 2.252 0.000) 7.250 4.329 ( -6.203 -0.994 0.000) 6.282 4.405 ( 3.159 -1.678 0.000) 3.577 4.448 ( -0.070 2.371 0.000) 2.372 4.557 ( -0.192 2.348 0.000) 2.356 4.603 ( -3.431 -0.620 0.000) 3.487 4.719 ( 12.064 0.442 0.000) 12.072 4.826 ( 11.083 2.608 0.000) 11.386 4.940 ( -8.633 1.067 0.000) 8.699 5.062 ( -11.079 2.595 0.000) 11.379 5.623 ( 5.843 -0.293 0.000) 5.850 5.676 ( 2.109 1.158 0.000) 2.406 5.725 ( 3.551 0.256 0.000) 3.560 5.760 ( 0.057 -0.430 0.000) 0.434 6.004 ( 2.424 2.950 0.000) 3.818 6.039 ( -0.590 2.921 0.000) 2.980 6.135 ( 4.036 7.741 0.000) 8.730 6.193 ( -0.781 9.995 0.000) 10.025 6.608 ( 7.361 2.419 0.000) 7.748 6.678 ( 2.574 4.617 0.000) 5.286 6.824 ( -14.112 0.570 0.000) 14.123 6.863 ( -17.220 0.945 0.000) 17.246 7.586 ( 0.259 0.044 0.000) 0.263 7.604 ( -1.464 0.134 0.000) 1.470 7.696 ( 0.899 1.063 0.000) 1.393 7.723 ( -1.094 1.947 0.000) 2.234 7.840 ( 1.869 1.460 0.000) 2.371 7.924 ( -3.122 0.340 0.000) 3.141 7.982 ( 0.246 1.667 0.000) 1.685 8.035 ( -2.152 1.694 0.000) 2.739 8.568 ( 10.334 -3.812 0.000) 11.015 8.682 ( 1.217 0.167 0.000) 1.228 8.756 ( -1.655 2.044 0.000) 2.630 8.823 ( -9.105 1.934 0.000) 9.308 8.947 ( 0.721 3.206 0.000) 3.287 9.020 ( -3.777 3.125 0.000) 4.902 9.061 ( 0.322 4.419 0.000) 4.431 9.153 ( -6.652 5.654 0.000) 8.730 10.016 ( 8.044 -0.053 0.000) 8.044 10.117 ( -2.483 -0.109 0.000) 2.486 10.257 ( 8.443 -0.797 0.000) 8.480 10.360 ( -2.681 -1.185 0.000) 2.931 12.084 ( 1.705 0.353 0.000) 1.741 12.132 ( -3.005 -0.256 0.000) 3.016 12.209 ( 4.005 0.611 0.000) 4.051 12.306 ( -6.037 0.437 0.000) 6.053 13.475 ( 5.701 1.279 0.000) 5.843 13.501 ( 5.579 2.969 0.000) 6.320 13.549 ( -1.971 1.848 0.000) 2.702 13.626 ( -6.087 1.606 0.000) 6.295 15.106 ( 0.880 -0.045 0.000) 0.882 15.116 ( -0.100 0.086 0.000) 0.132 15.145 ( 4.048 0.544 0.000) 4.084 15.232 ( -4.291 0.125 0.000) 4.292 15.645 ( 0.484 -1.089 0.000) 1.192 15.684 ( -3.741 -0.752 0.000) 3.816 15.760 ( 2.067 -0.418 0.000) 2.109 15.812 ( -3.099 -0.310 0.000) 3.114 17.653 ( 0.062 0.675 0.000) 0.678 17.678 ( -2.290 0.415 0.000) 2.327 17.756 ( 2.939 0.225 0.000) 2.948 17.816 ( -2.745 0.049 0.000) 2.746 18.031 ( 3.790 -0.093 0.000) 3.791 18.095 ( -2.434 -0.367 0.000) 2.462 18.297 ( 3.770 -2.767 0.000) 4.676 18.340 ( -0.780 -1.843 0.000) 2.001 18.441 ( 2.552 -0.430 0.000) 2.588 18.503 ( -1.202 -1.956 0.000) 2.295 18.536 ( -4.283 -0.891 0.000) 4.374 18.576 ( -5.887 -1.766 0.000) 6.146 18.774 ( 5.164 -0.982 0.000) 5.256 18.874 ( -4.756 -1.062 0.000) 4.874 19.314 ( 5.426 -4.232 0.000) 6.881 19.363 ( 0.496 -3.981 0.000) 4.012 19.872 ( 9.218 -2.294 0.000) 9.499 20.004 ( -4.955 -2.442 0.000) 5.524 20.068 ( 0.994 -7.125 0.000) 7.194 20.091 ( -1.438 -4.518 0.000) 4.741 ======================= Grid point 10 (7/63) ======================= q-point: ( 0.00 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.646 ( 0.000 18.020 0.000) 18.020 0.748 ( 0.000 19.339 0.000) 19.339 1.282 ( 0.000 28.057 0.000) 28.057 1.399 ( 0.000 7.218 0.000) 7.218 1.465 ( 0.000 7.051 0.000) 7.051 1.589 ( 0.000 -1.060 0.000) 1.060 1.636 ( 0.000 10.509 0.000) 10.509 1.756 ( 0.000 7.421 0.000) 7.421 1.771 ( 0.000 -0.739 0.000) 0.739 1.977 ( 0.000 0.976 0.000) 0.976 1.984 ( 0.000 0.335 0.000) 0.335 2.093 ( 0.000 8.410 0.000) 8.410 2.116 ( 0.000 10.963 0.000) 10.963 2.334 ( 0.000 19.212 0.000) 19.212 2.465 ( 0.000 17.058 0.000) 17.058 2.561 ( 0.000 -0.200 0.000) 0.200 2.622 ( 0.000 16.142 0.000) 16.142 2.735 ( 0.000 2.205 0.000) 2.205 2.886 ( 0.000 2.364 0.000) 2.364 2.989 ( 0.000 -3.808 0.000) 3.808 3.092 ( 0.000 -3.816 0.000) 3.816 3.206 ( 0.000 3.963 0.000) 3.963 3.266 ( 0.000 -7.757 0.000) 7.757 3.497 ( 0.000 -1.886 0.000) 1.886 3.593 ( 0.000 -6.479 0.000) 6.479 3.610 ( 0.000 2.529 0.000) 2.529 3.860 ( 0.000 2.971 0.000) 2.971 3.881 ( 0.000 1.832 0.000) 1.832 3.954 ( 0.000 2.093 0.000) 2.093 4.057 ( 0.000 -2.415 0.000) 2.415 4.138 ( 0.000 -6.148 0.000) 6.148 4.325 ( 0.000 -1.631 0.000) 1.631 4.390 ( 0.000 2.812 0.000) 2.812 4.566 ( 0.000 1.005 0.000) 1.005 4.605 ( 0.000 4.164 0.000) 4.164 4.770 ( 0.000 0.099 0.000) 0.099 4.799 ( 0.000 3.245 0.000) 3.245 4.983 ( 0.000 4.202 0.000) 4.202 5.171 ( 0.000 -0.831 0.000) 0.831 5.259 ( 0.000 -1.504 0.000) 1.504 5.345 ( 0.000 0.057 0.000) 0.057 5.381 ( 0.000 -0.916 0.000) 0.916 5.560 ( 0.000 4.164 0.000) 4.164 5.609 ( 0.000 0.078 0.000) 0.078 6.109 ( 0.000 5.360 0.000) 5.360 6.260 ( 0.000 10.057 0.000) 10.057 6.301 ( 0.000 8.849 0.000) 8.849 6.482 ( 0.000 5.791 0.000) 5.791 6.757 ( 0.000 3.488 0.000) 3.488 6.786 ( 0.000 9.973 0.000) 9.973 7.212 ( 0.000 -0.267 0.000) 0.267 7.352 ( 0.000 -2.322 0.000) 2.322 7.634 ( 0.000 1.239 0.000) 1.239 7.695 ( 0.000 4.458 0.000) 4.458 7.749 ( 0.000 2.080 0.000) 2.080 7.832 ( 0.000 3.199 0.000) 3.199 7.875 ( 0.000 -2.821 0.000) 2.821 7.903 ( 0.000 0.850 0.000) 0.850 8.113 ( 0.000 6.144 0.000) 6.144 8.126 ( 0.000 0.506 0.000) 0.506 8.216 ( 0.000 2.521 0.000) 2.521 8.425 ( 0.000 -1.203 0.000) 1.203 9.052 ( 0.000 9.068 0.000) 9.068 9.091 ( 0.000 3.356 0.000) 3.356 9.101 ( 0.000 3.115 0.000) 3.115 9.278 ( 0.000 1.480 0.000) 1.480 9.281 ( 0.000 1.976 0.000) 1.976 9.678 ( 0.000 -0.974 0.000) 0.974 9.777 ( 0.000 -2.714 0.000) 2.714 9.957 ( 0.000 -1.698 0.000) 1.698 10.107 ( 0.000 0.260 0.000) 0.260 10.321 ( 0.000 -2.346 0.000) 2.346 12.085 ( 0.000 -0.208 0.000) 0.208 12.099 ( 0.000 -0.009 0.000) 0.009 12.186 ( 0.000 1.938 0.000) 1.938 12.468 ( 0.000 -0.256 0.000) 0.256 13.346 ( 0.000 2.384 0.000) 2.384 13.567 ( 0.000 0.527 0.000) 0.527 13.662 ( 0.000 2.064 0.000) 2.064 13.779 ( 0.000 1.924 0.000) 1.924 15.068 ( 0.000 0.365 0.000) 0.365 15.088 ( 0.000 0.177 0.000) 0.177 15.127 ( 0.000 1.550 0.000) 1.550 15.298 ( 0.000 -0.020 0.000) 0.020 15.638 ( 0.000 -2.330 0.000) 2.330 15.653 ( 0.000 -3.109 0.000) 3.109 15.853 ( 0.000 0.207 0.000) 0.207 15.892 ( 0.000 0.286 0.000) 0.286 17.643 ( 0.000 -0.688 0.000) 0.688 17.678 ( 0.000 -1.072 0.000) 1.072 17.748 ( 0.000 -0.394 0.000) 0.394 17.807 ( 0.000 -1.493 0.000) 1.493 17.985 ( 0.000 -0.049 0.000) 0.049 18.112 ( 0.000 -0.010 0.000) 0.010 18.246 ( 0.000 1.671 0.000) 1.671 18.346 ( 0.000 -0.837 0.000) 0.837 18.437 ( 0.000 -2.855 0.000) 2.855 18.447 ( 0.000 -1.775 0.000) 1.775 18.494 ( 0.000 -2.463 0.000) 2.463 18.642 ( 0.000 -4.165 0.000) 4.165 18.751 ( 0.000 -3.518 0.000) 3.518 18.826 ( 0.000 -5.155 0.000) 5.155 19.065 ( 0.000 -2.610 0.000) 2.610 19.075 ( 0.000 -1.688 0.000) 1.688 19.494 ( 0.000 -0.819 0.000) 0.819 19.687 ( 0.000 -5.663 0.000) 5.663 20.049 ( 0.000 -3.098 0.000) 3.098 20.069 ( 0.000 -3.215 0.000) 3.215 ======================= Grid point 11 (8/63) ======================= q-point: ( 0.20 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 93 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.659 ( 2.194 15.909 0.000) 16.059 0.867 ( 11.470 13.724 0.000) 17.886 1.295 ( -2.604 21.152 0.000) 21.312 1.342 ( -2.842 9.359 0.000) 9.781 1.444 ( -2.229 4.294 0.000) 4.838 1.510 ( -5.766 3.543 0.000) 6.768 1.638 ( -5.394 4.998 0.000) 7.353 1.669 ( -0.082 3.780 0.000) 3.781 1.845 ( -3.200 5.844 0.000) 6.663 1.877 ( -2.713 8.205 0.000) 8.642 1.926 ( 3.116 8.823 0.000) 9.357 2.190 ( 5.255 8.704 0.000) 10.167 2.243 ( 5.129 6.144 0.000) 8.003 2.303 ( -1.977 7.952 0.000) 8.194 2.356 ( -12.098 6.923 0.000) 13.939 2.440 ( -3.425 13.208 0.000) 13.645 2.682 ( 1.659 16.597 0.000) 16.679 2.711 ( -0.109 7.990 0.000) 7.990 2.862 ( -6.414 4.916 0.000) 8.081 3.020 ( -6.498 -4.282 0.000) 7.783 3.067 ( 6.717 -9.827 0.000) 11.903 3.184 ( -0.308 -4.681 0.000) 4.691 3.338 ( 6.252 -0.270 0.000) 6.258 3.495 ( -5.088 -6.045 0.000) 7.902 3.653 ( 12.774 -3.204 0.000) 13.169 3.742 ( 7.070 1.077 0.000) 7.152 3.925 ( 7.306 0.430 0.000) 7.318 3.964 ( 4.880 2.305 0.000) 5.397 4.025 ( 5.279 1.974 0.000) 5.636 4.081 ( 4.814 -0.964 0.000) 4.910 4.127 ( 1.853 -0.207 0.000) 1.864 4.363 ( 2.658 -0.143 0.000) 2.662 4.418 ( 2.859 1.920 0.000) 3.444 4.544 ( -5.817 1.715 0.000) 6.065 4.613 ( -3.497 0.699 0.000) 3.566 4.642 ( -4.568 1.716 0.000) 4.879 4.711 ( -3.711 2.552 0.000) 4.504 4.854 ( -7.213 1.774 0.000) 7.428 5.103 ( -3.733 3.050 0.000) 4.820 5.277 ( -4.742 2.507 0.000) 5.364 5.523 ( 10.034 -0.445 0.000) 10.044 5.530 ( 10.364 0.156 0.000) 10.366 5.622 ( 10.699 2.063 0.000) 10.896 5.649 ( 4.530 -0.372 0.000) 4.545 6.078 ( -3.004 3.332 0.000) 4.486 6.194 ( -4.265 8.901 0.000) 9.870 6.293 ( -2.972 7.900 0.000) 8.441 6.454 ( -4.159 9.497 0.000) 10.367 6.633 ( 0.136 6.695 0.000) 6.696 6.867 ( -0.028 9.524 0.000) 9.524 7.088 ( -11.601 0.206 0.000) 11.603 7.197 ( -14.455 -0.540 0.000) 14.465 7.614 ( -1.938 0.740 0.000) 2.075 7.653 ( -2.792 1.281 0.000) 3.072 7.760 ( -3.642 2.489 0.000) 4.411 7.785 ( 0.250 2.623 0.000) 2.635 7.854 ( -1.878 -2.079 0.000) 2.802 7.929 ( 2.397 2.890 0.000) 3.755 8.105 ( -4.211 3.854 0.000) 5.708 8.109 ( -0.009 4.045 0.000) 4.045 8.300 ( 9.969 -0.515 0.000) 9.983 8.544 ( 9.319 -1.312 0.000) 9.411 8.937 ( -8.738 4.790 0.000) 9.964 9.031 ( -7.889 0.567 0.000) 7.909 9.071 ( -4.545 4.391 0.000) 6.320 9.160 ( -4.484 4.733 0.000) 6.520 9.222 ( -6.452 2.986 0.000) 7.110 9.553 ( -13.408 6.870 0.000) 15.066 9.845 ( 7.651 -0.333 0.000) 7.658 10.044 ( 10.631 -1.164 0.000) 10.694 10.118 ( 1.235 -0.028 0.000) 1.236 10.335 ( 0.909 -2.181 0.000) 2.363 12.080 ( -0.026 0.344 0.000) 0.345 12.127 ( 1.881 -0.537 0.000) 1.956 12.193 ( 0.382 1.343 0.000) 1.397 12.420 ( -4.602 0.141 0.000) 4.604 13.396 ( 4.947 2.204 0.000) 5.416 13.543 ( -1.119 2.499 0.000) 2.739 13.629 ( -1.357 3.922 0.000) 4.150 13.751 ( -3.004 2.131 0.000) 3.683 15.085 ( 1.284 0.164 0.000) 1.295 15.099 ( 1.394 0.366 0.000) 1.441 15.132 ( 0.199 0.999 0.000) 1.019 15.284 ( -1.565 -0.171 0.000) 1.575 15.618 ( -0.982 -2.207 0.000) 2.415 15.673 ( 1.394 -2.382 0.000) 2.760 15.800 ( -4.855 0.311 0.000) 4.865 15.864 ( -2.705 -0.023 0.000) 2.705 17.667 ( 0.713 -0.262 0.000) 0.759 17.694 ( 1.237 -0.605 0.000) 1.377 17.736 ( -0.505 -0.113 0.000) 0.518 17.830 ( 0.867 -1.189 0.000) 1.471 17.985 ( 0.945 0.292 0.000) 0.989 18.109 ( -0.503 -0.239 0.000) 0.557 18.190 ( -0.634 -0.769 0.000) 0.997 18.324 ( -1.633 -1.781 0.000) 2.416 18.414 ( -0.638 -1.371 0.000) 1.512 18.473 ( -0.764 -3.208 0.000) 3.298 18.530 ( 2.512 -2.044 0.000) 3.238 18.615 ( -3.585 -3.898 0.000) 5.296 18.716 ( -3.044 -3.372 0.000) 4.542 18.912 ( -0.609 -2.889 0.000) 2.952 19.061 ( 7.826 -5.230 0.000) 9.413 19.183 ( 6.083 -5.274 0.000) 8.051 19.618 ( 10.552 -2.413 0.000) 10.824 19.766 ( 6.960 -8.560 0.000) 11.033 20.025 ( -2.605 -3.197 0.000) 4.124 20.048 ( -2.171 -3.727 0.000) 4.313 ======================= Grid point 12 (9/63) ======================= q-point: ( 0.40 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 93 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.776 ( 11.126 10.567 0.000) 15.344 1.042 ( -11.374 8.269 0.000) 14.062 1.160 ( 9.852 5.334 0.000) 11.204 1.328 ( 0.882 7.456 0.000) 7.508 1.380 ( -5.705 5.628 0.000) 8.014 1.465 ( -8.629 5.328 0.000) 10.141 1.529 ( 3.511 9.444 0.000) 10.076 1.633 ( -4.587 5.965 0.000) 7.525 1.805 ( 2.388 7.813 0.000) 8.170 1.914 ( -4.410 7.552 0.000) 8.745 1.975 ( 6.293 10.861 0.000) 12.552 2.136 ( -6.387 10.970 0.000) 12.694 2.179 ( 0.205 9.479 0.000) 9.481 2.265 ( -3.340 7.474 0.000) 8.186 2.403 ( 3.654 12.922 0.000) 13.429 2.447 ( 5.264 7.315 0.000) 9.013 2.654 ( -2.378 5.468 0.000) 5.962 2.732 ( -0.181 14.192 0.000) 14.193 2.732 ( -3.461 10.761 0.000) 11.304 2.816 ( -10.870 -2.776 0.000) 11.219 3.212 ( 8.918 -11.305 0.000) 14.399 3.288 ( 7.035 -4.113 0.000) 8.149 3.373 ( -5.914 -7.453 0.000) 9.514 3.386 ( -3.758 -6.280 0.000) 7.319 3.858 ( 7.951 0.227 0.000) 7.954 3.895 ( 7.757 1.953 0.000) 7.999 3.941 ( -0.432 1.707 0.000) 1.761 4.021 ( -3.463 1.249 0.000) 3.681 4.095 ( 4.223 1.843 0.000) 4.607 4.212 ( 4.389 4.732 0.000) 6.454 4.276 ( 0.076 2.595 0.000) 2.596 4.318 ( -2.137 -0.850 0.000) 2.299 4.382 ( 2.608 1.019 0.000) 2.800 4.486 ( -1.113 0.992 0.000) 1.491 4.560 ( 0.015 -1.345 0.000) 1.345 4.639 ( -6.652 3.690 0.000) 7.607 4.736 ( 12.668 1.298 0.000) 12.734 4.881 ( 10.715 2.214 0.000) 10.941 4.978 ( -10.352 2.835 0.000) 10.734 5.121 ( -11.899 2.816 0.000) 12.228 5.641 ( 6.583 1.911 0.000) 6.855 5.687 ( 4.522 -0.044 0.000) 4.522 5.726 ( 2.231 -0.496 0.000) 2.285 5.771 ( -2.442 1.488 0.000) 2.860 6.089 ( 5.123 4.389 0.000) 6.746 6.124 ( 0.113 4.924 0.000) 4.925 6.299 ( 4.022 7.957 0.000) 8.916 6.398 ( -3.795 9.086 0.000) 9.847 6.688 ( 5.330 5.643 0.000) 7.762 6.810 ( -3.231 7.120 0.000) 7.819 6.854 ( -11.014 3.275 0.000) 11.490 6.907 ( -13.562 3.871 0.000) 14.104 7.588 ( -0.068 -0.017 0.000) 0.070 7.609 ( -1.939 0.516 0.000) 2.007 7.711 ( 0.244 -0.032 0.000) 0.246 7.759 ( -3.548 0.529 0.000) 3.587 7.877 ( 4.795 3.230 0.000) 5.781 7.978 ( -1.638 4.693 0.000) 4.970 8.017 ( -0.440 1.990 0.000) 2.038 8.083 ( -3.270 2.891 0.000) 4.364 8.516 ( 12.026 -1.376 0.000) 12.105 8.684 ( 1.780 -0.148 0.000) 1.787 8.779 ( -6.061 -0.043 0.000) 6.062 8.841 ( -7.769 0.368 0.000) 7.777 9.023 ( 0.489 4.436 0.000) 4.463 9.083 ( -4.911 3.447 0.000) 6.000 9.191 ( 3.607 7.913 0.000) 8.696 9.321 ( -9.884 9.234 0.000) 13.526 10.012 ( 7.940 -0.397 0.000) 7.950 10.111 ( -2.471 -0.450 0.000) 2.512 10.233 ( 7.895 -1.543 0.000) 8.044 10.328 ( -2.311 -1.897 0.000) 2.989 12.093 ( 1.501 0.603 0.000) 1.618 12.128 ( -1.710 0.010 0.000) 1.710 12.228 ( 3.699 1.238 0.000) 3.901 12.318 ( -5.584 0.819 0.000) 5.644 13.507 ( 5.933 1.885 0.000) 6.226 13.562 ( 1.796 2.578 0.000) 3.142 13.606 ( -0.652 3.737 0.000) 3.793 13.672 ( -5.088 2.782 0.000) 5.799 15.105 ( 0.936 -0.110 0.000) 0.942 15.120 ( -0.470 0.311 0.000) 0.563 15.158 ( 3.691 0.636 0.000) 3.745 15.234 ( -3.699 -0.012 0.000) 3.699 15.617 ( 1.188 -1.511 0.000) 1.922 15.666 ( -3.295 -0.880 0.000) 3.410 15.747 ( 1.432 -0.772 0.000) 1.627 15.802 ( -3.530 -0.619 0.000) 3.584 17.671 ( 0.407 1.043 0.000) 1.119 17.690 ( -1.351 0.720 0.000) 1.531 17.760 ( 2.846 0.148 0.000) 2.850 17.815 ( -2.307 -0.317 0.000) 2.328 18.029 ( 3.281 0.038 0.000) 3.281 18.086 ( -2.236 -0.450 0.000) 2.280 18.231 ( 3.610 -3.335 0.000) 4.915 18.291 ( -2.250 -2.882 0.000) 3.656 18.426 ( 1.849 -1.000 0.000) 2.102 18.458 ( 0.100 -2.324 0.000) 2.326 18.500 ( -3.291 -2.553 0.000) 4.165 18.533 ( -4.546 -2.336 0.000) 5.111 18.746 ( 5.070 -1.700 0.000) 5.347 18.844 ( -4.821 -1.797 0.000) 5.145 19.199 ( 5.340 -6.886 0.000) 8.714 19.250 ( 0.281 -6.951 0.000) 6.957 19.812 ( 9.049 -3.467 0.000) 9.691 19.891 ( 5.513 -7.939 0.000) 9.665 19.951 ( -5.120 -3.713 0.000) 6.325 19.988 ( -4.110 -5.434 0.000) 6.813 ======================= Grid point 15 (10/63) ======================= q-point: ( 0.00 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.010 ( 0.000 17.472 0.000) 17.472 1.119 ( 0.000 15.976 0.000) 15.976 1.506 ( 0.000 3.571 0.000) 3.571 1.541 ( 0.000 -1.264 0.000) 1.264 1.599 ( 0.000 7.614 0.000) 7.614 1.675 ( 0.000 4.161 0.000) 4.161 1.774 ( 0.000 1.755 0.000) 1.755 1.857 ( 0.000 2.251 0.000) 2.251 1.891 ( 0.000 13.509 0.000) 13.509 1.992 ( 0.000 1.613 0.000) 1.613 2.017 ( 0.000 4.461 0.000) 4.461 2.228 ( 0.000 4.849 0.000) 4.849 2.355 ( 0.000 11.139 0.000) 11.139 2.508 ( 0.000 0.308 0.000) 0.308 2.763 ( 0.000 9.052 0.000) 9.052 2.776 ( 0.000 9.325 0.000) 9.325 2.813 ( 0.000 10.461 0.000) 10.461 2.914 ( 0.000 0.144 0.000) 0.144 2.933 ( 0.000 0.539 0.000) 0.539 2.943 ( 0.000 15.069 0.000) 15.069 3.049 ( 0.000 0.011 0.000) 0.011 3.144 ( 0.000 -1.128 0.000) 1.128 3.256 ( 0.000 0.766 0.000) 0.766 3.456 ( 0.000 -6.127 0.000) 6.127 3.464 ( 0.000 -1.179 0.000) 1.179 3.729 ( 0.000 9.331 0.000) 9.331 3.889 ( 0.000 -1.170 0.000) 1.170 3.908 ( 0.000 1.331 0.000) 1.331 3.993 ( 0.000 1.507 0.000) 1.507 4.005 ( 0.000 -2.093 0.000) 2.093 4.093 ( 0.000 2.092 0.000) 2.092 4.299 ( 0.000 -0.946 0.000) 0.946 4.450 ( 0.000 2.881 0.000) 2.881 4.589 ( 0.000 1.050 0.000) 1.050 4.678 ( 0.000 2.751 0.000) 2.751 4.765 ( 0.000 -0.237 0.000) 0.237 4.864 ( 0.000 2.627 0.000) 2.627 5.037 ( 0.000 1.048 0.000) 1.048 5.163 ( 0.000 0.519 0.000) 0.519 5.238 ( 0.000 -0.469 0.000) 0.469 5.348 ( 0.000 0.195 0.000) 0.195 5.365 ( 0.000 -0.589 0.000) 0.589 5.609 ( 0.000 0.092 0.000) 0.092 5.636 ( 0.000 3.134 0.000) 3.134 6.207 ( 0.000 4.408 0.000) 4.408 6.429 ( 0.000 5.181 0.000) 5.181 6.517 ( 0.000 11.520 0.000) 11.520 6.626 ( 0.000 8.966 0.000) 8.966 6.846 ( 0.000 4.843 0.000) 4.843 6.935 ( 0.000 4.892 0.000) 4.892 7.207 ( 0.000 -0.113 0.000) 0.113 7.306 ( 0.000 -2.215 0.000) 2.215 7.650 ( 0.000 0.015 0.000) 0.015 7.701 ( 0.000 -3.709 0.000) 3.709 7.792 ( 0.000 -0.245 0.000) 0.245 7.828 ( 0.000 1.077 0.000) 1.077 7.878 ( 0.000 0.985 0.000) 0.985 7.996 ( 0.000 7.693 0.000) 7.693 8.140 ( 0.000 0.839 0.000) 0.839 8.256 ( 0.000 6.956 0.000) 6.956 8.328 ( 0.000 8.223 0.000) 8.223 8.410 ( 0.000 0.455 0.000) 0.455 9.160 ( 0.000 3.339 0.000) 3.339 9.161 ( 0.000 3.117 0.000) 3.117 9.235 ( 0.000 7.905 0.000) 7.905 9.317 ( 0.000 2.297 0.000) 2.297 9.339 ( 0.000 3.964 0.000) 3.964 9.648 ( 0.000 -2.025 0.000) 2.025 9.710 ( 0.000 -3.764 0.000) 3.764 9.919 ( 0.000 -2.069 0.000) 2.069 10.116 ( 0.000 0.633 0.000) 0.633 10.276 ( 0.000 -1.959 0.000) 1.959 12.082 ( 0.000 -0.073 0.000) 0.073 12.101 ( 0.000 0.147 0.000) 0.147 12.231 ( 0.000 2.480 0.000) 2.480 12.462 ( 0.000 -0.321 0.000) 0.321 13.397 ( 0.000 2.575 0.000) 2.575 13.568 ( 0.000 -0.294 0.000) 0.294 13.720 ( 0.000 3.434 0.000) 3.434 13.825 ( 0.000 2.419 0.000) 2.419 15.078 ( 0.000 0.613 0.000) 0.613 15.092 ( 0.000 0.272 0.000) 0.272 15.161 ( 0.000 1.745 0.000) 1.745 15.296 ( 0.000 -0.149 0.000) 0.149 15.584 ( 0.000 -2.902 0.000) 2.902 15.585 ( 0.000 -3.486 0.000) 3.486 15.861 ( 0.000 0.576 0.000) 0.576 15.898 ( 0.000 0.262 0.000) 0.262 17.629 ( 0.000 -0.637 0.000) 0.637 17.654 ( 0.000 -1.146 0.000) 1.146 17.736 ( 0.000 -0.832 0.000) 0.832 17.770 ( 0.000 -2.066 0.000) 2.066 17.990 ( 0.000 0.643 0.000) 0.643 18.111 ( 0.000 -0.049 0.000) 0.049 18.281 ( 0.000 1.239 0.000) 1.239 18.309 ( 0.000 -2.515 0.000) 2.515 18.389 ( 0.000 -1.560 0.000) 1.560 18.390 ( 0.000 -3.452 0.000) 3.452 18.457 ( 0.000 -1.493 0.000) 1.493 18.549 ( 0.000 -4.721 0.000) 4.721 18.676 ( 0.000 -3.693 0.000) 3.693 18.725 ( 0.000 -4.723 0.000) 4.723 19.012 ( 0.000 -2.520 0.000) 2.520 19.035 ( 0.000 -2.087 0.000) 2.087 19.476 ( 0.000 -0.940 0.000) 0.940 19.578 ( 0.000 -4.831 0.000) 4.831 19.984 ( 0.000 -3.183 0.000) 3.183 19.999 ( 0.000 -3.427 0.000) 3.427 ======================= Grid point 16 (11/63) ======================= q-point: ( 0.20 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.978 ( -1.878 14.488 0.000) 14.609 1.147 ( 2.652 12.483 0.000) 12.762 1.449 ( -6.257 3.474 0.000) 7.157 1.511 ( -3.909 5.574 0.000) 6.808 1.570 ( -6.534 3.307 0.000) 7.323 1.630 ( 2.404 7.470 0.000) 7.847 1.733 ( -4.615 6.006 0.000) 7.574 1.774 ( -1.855 3.791 0.000) 4.221 1.955 ( -1.721 4.500 0.000) 4.818 2.049 ( 8.163 7.262 0.000) 10.926 2.111 ( 6.256 8.832 0.000) 10.823 2.269 ( 3.669 0.873 0.000) 3.771 2.323 ( -5.676 4.062 0.000) 6.979 2.450 ( -0.436 6.740 0.000) 6.754 2.643 ( -10.927 14.416 0.000) 18.089 2.725 ( -6.035 13.075 0.000) 14.400 2.801 ( -2.906 -3.269 0.000) 4.374 2.848 ( 3.388 -2.103 0.000) 3.987 2.939 ( 0.181 0.245 0.000) 0.305 3.000 ( -1.967 8.967 0.000) 9.180 3.062 ( -2.704 10.022 0.000) 10.381 3.117 ( 4.510 -1.080 0.000) 4.637 3.298 ( -0.027 -3.970 0.000) 3.970 3.379 ( -5.918 -3.032 0.000) 6.650 3.605 ( 13.050 -1.427 0.000) 13.128 3.803 ( 5.560 4.637 0.000) 7.240 3.931 ( 6.941 0.715 0.000) 6.978 4.012 ( 8.317 1.898 0.000) 8.531 4.034 ( 2.228 -0.350 0.000) 2.256 4.101 ( 4.249 3.098 0.000) 5.258 4.157 ( 11.057 2.957 0.000) 11.446 4.360 ( 6.257 -0.210 0.000) 6.260 4.468 ( 1.553 2.627 0.000) 3.052 4.576 ( -5.808 1.406 0.000) 5.976 4.628 ( -9.621 0.822 0.000) 9.656 4.681 ( -5.083 2.107 0.000) 5.502 4.741 ( 0.598 0.473 0.000) 0.762 4.876 ( -7.123 0.915 0.000) 7.181 5.177 ( -2.289 3.942 0.000) 4.559 5.316 ( -3.269 1.405 0.000) 3.558 5.492 ( 13.657 -1.668 0.000) 13.758 5.544 ( 13.434 0.240 0.000) 13.436 5.639 ( 3.514 -0.416 0.000) 3.538 5.667 ( 5.490 2.263 0.000) 5.938 6.152 ( -3.859 3.821 0.000) 5.431 6.318 ( -10.128 3.139 0.000) 10.603 6.489 ( -1.316 10.941 0.000) 11.020 6.664 ( -1.865 10.372 0.000) 10.538 6.762 ( 0.332 5.729 0.000) 5.739 7.015 ( -0.019 4.793 0.000) 4.793 7.102 ( -8.474 1.436 0.000) 8.595 7.201 ( -9.124 1.148 0.000) 9.196 7.612 ( -3.447 -0.964 0.000) 3.579 7.667 ( -2.157 -0.385 0.000) 2.191 7.749 ( -4.583 -1.828 0.000) 4.934 7.796 ( -2.408 -1.459 0.000) 2.816 7.919 ( 3.437 5.737 0.000) 6.688 7.986 ( 0.029 3.932 0.000) 3.932 8.173 ( 0.870 2.804 0.000) 2.935 8.240 ( -3.834 7.341 0.000) 8.282 8.336 ( 5.456 4.171 0.000) 6.867 8.522 ( 8.672 -0.566 0.000) 8.690 9.005 ( -11.786 2.044 0.000) 11.962 9.037 ( -12.376 0.341 0.000) 12.381 9.172 ( -4.612 5.059 0.000) 6.846 9.260 ( -4.245 4.927 0.000) 6.503 9.319 ( -0.756 6.301 0.000) 6.346 9.633 ( -3.829 1.777 0.000) 4.221 9.834 ( 8.086 -0.748 0.000) 8.121 10.006 ( 9.495 -2.479 0.000) 9.813 10.122 ( 0.925 0.419 0.000) 1.015 10.292 ( 1.074 -1.954 0.000) 2.230 12.087 ( 0.638 0.346 0.000) 0.726 12.121 ( 1.565 -0.084 0.000) 1.567 12.231 ( 0.223 2.307 0.000) 2.318 12.424 ( -3.770 0.157 0.000) 3.773 13.443 ( 4.602 2.407 0.000) 5.194 13.575 ( 1.087 0.875 0.000) 1.395 13.707 ( -1.165 3.748 0.000) 3.925 13.799 ( -2.637 2.540 0.000) 3.661 15.086 ( 0.624 -0.007 0.000) 0.624 15.111 ( 1.956 0.689 0.000) 2.073 15.155 ( -0.674 1.217 0.000) 1.392 15.279 ( -1.826 -0.350 0.000) 1.860 15.567 ( -0.119 -2.607 0.000) 2.610 15.622 ( 2.434 -2.608 0.000) 3.567 15.809 ( -4.942 0.577 0.000) 4.976 15.863 ( -3.357 -0.054 0.000) 3.357 17.662 ( 2.346 -0.248 0.000) 2.359 17.683 ( 2.438 -0.499 0.000) 2.489 17.729 ( 0.104 -0.565 0.000) 0.574 17.795 ( 1.548 -2.114 0.000) 2.620 17.997 ( 1.060 0.890 0.000) 1.384 18.106 ( -0.768 -0.043 0.000) 0.769 18.187 ( -4.401 0.247 0.000) 4.408 18.276 ( -2.366 -2.805 0.000) 3.670 18.390 ( 0.782 -1.193 0.000) 1.427 18.405 ( -0.648 -3.054 0.000) 3.122 18.478 ( 0.283 -2.895 0.000) 2.908 18.543 ( -1.692 -3.193 0.000) 3.613 18.652 ( -0.057 -2.843 0.000) 2.843 18.833 ( 4.979 -4.914 0.000) 6.996 18.973 ( 0.055 -3.345 0.000) 3.346 19.076 ( 2.248 -5.116 0.000) 5.588 19.571 ( 8.537 -2.172 0.000) 8.809 19.628 ( 5.154 -5.313 0.000) 7.402 19.957 ( -2.898 -3.343 0.000) 4.424 19.971 ( -3.024 -3.663 0.000) 4.750 ======================= Grid point 17 (12/63) ======================= q-point: ( 0.40 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.008 ( 6.328 11.108 0.000) 12.784 1.210 ( -11.243 3.898 0.000) 11.900 1.241 ( 4.446 8.056 0.000) 9.202 1.411 ( -9.372 2.444 0.000) 9.685 1.539 ( 3.314 10.261 0.000) 10.783 1.624 ( -5.569 8.726 0.000) 10.352 1.690 ( 3.053 6.957 0.000) 7.597 1.742 ( -2.194 5.313 0.000) 5.748 1.956 ( 3.271 6.647 0.000) 7.409 2.076 ( -8.128 8.242 0.000) 11.575 2.208 ( 8.158 7.983 0.000) 11.414 2.294 ( 1.500 2.942 0.000) 3.302 2.356 ( 3.745 0.566 0.000) 3.788 2.442 ( -8.481 12.050 0.000) 14.735 2.501 ( 5.416 3.564 0.000) 6.483 2.665 ( -1.814 2.343 0.000) 2.963 2.686 ( -4.542 5.430 0.000) 7.079 2.835 ( -11.259 9.486 0.000) 14.722 2.953 ( 5.553 1.403 0.000) 5.728 2.985 ( 2.829 3.685 0.000) 4.645 3.071 ( 3.214 4.868 0.000) 5.834 3.192 ( -3.027 -6.092 0.000) 6.803 3.235 ( -0.592 -1.378 0.000) 1.500 3.293 ( -3.292 -1.961 0.000) 3.832 3.852 ( 11.506 -0.694 0.000) 11.527 3.937 ( 7.203 2.217 0.000) 7.537 3.979 ( -0.735 2.135 0.000) 2.258 4.044 ( -2.510 1.109 0.000) 2.744 4.148 ( 3.823 3.647 0.000) 5.284 4.260 ( 5.022 -0.683 0.000) 5.069 4.318 ( -4.876 4.209 0.000) 6.442 4.351 ( 7.503 2.492 0.000) 7.906 4.430 ( -3.074 3.027 0.000) 4.314 4.489 ( -6.408 -0.241 0.000) 6.413 4.564 ( 7.192 2.239 0.000) 7.532 4.713 ( -7.517 3.330 0.000) 8.221 4.770 ( 14.087 2.054 0.000) 14.236 4.910 ( 11.594 0.769 0.000) 11.620 5.046 ( -11.584 3.512 0.000) 12.105 5.168 ( -12.411 1.819 0.000) 12.543 5.674 ( 5.196 0.000 0.000) 5.196 5.693 ( 6.540 1.571 0.000) 6.726 5.710 ( 2.269 -0.674 0.000) 2.367 5.797 ( -0.958 0.803 0.000) 1.250 6.169 ( 6.859 3.521 0.000) 7.710 6.211 ( 2.012 3.297 0.000) 3.863 6.446 ( -3.505 5.937 0.000) 6.894 6.526 ( -10.571 3.491 0.000) 11.133 6.837 ( 5.725 8.544 0.000) 10.285 6.918 ( -4.299 5.744 0.000) 7.174 6.982 ( -4.570 7.177 0.000) 8.508 7.031 ( -8.620 7.545 0.000) 11.456 7.583 ( 0.945 -0.426 0.000) 1.037 7.623 ( -2.548 0.668 0.000) 2.634 7.693 ( -0.257 -1.643 0.000) 1.663 7.735 ( -3.714 -2.260 0.000) 4.347 7.984 ( 4.955 6.523 0.000) 8.191 8.044 ( 5.205 2.157 0.000) 5.635 8.109 ( -6.913 6.243 0.000) 9.315 8.147 ( -5.280 3.479 0.000) 6.323 8.508 ( 11.354 0.415 0.000) 11.362 8.674 ( 4.787 -0.812 0.000) 4.856 8.764 ( -10.642 -0.945 0.000) 10.684 8.836 ( -8.049 -0.847 0.000) 8.094 9.129 ( 0.390 5.832 0.000) 5.845 9.176 ( -4.044 5.627 0.000) 6.930 9.356 ( 4.701 7.869 0.000) 9.166 9.488 ( -8.793 6.937 0.000) 11.200 9.999 ( 7.781 -0.822 0.000) 7.824 10.096 ( -2.071 -1.183 0.000) 2.385 10.199 ( 7.093 -1.588 0.000) 7.269 10.288 ( -2.138 -1.963 0.000) 2.902 12.107 ( 1.466 0.720 0.000) 1.634 12.132 ( -0.740 0.326 0.000) 0.808 12.259 ( 3.084 1.820 0.000) 3.581 12.338 ( -4.836 1.055 0.000) 4.950 13.548 ( 5.658 2.072 0.000) 6.025 13.606 ( 0.813 1.795 0.000) 1.971 13.684 ( -0.410 3.604 0.000) 3.627 13.732 ( -4.138 2.954 0.000) 5.084 15.102 ( 1.201 -0.084 0.000) 1.204 15.128 ( -1.283 0.516 0.000) 1.383 15.167 ( 3.100 0.167 0.000) 3.104 15.230 ( -3.203 -0.424 0.000) 3.231 15.589 ( 2.617 -1.130 0.000) 2.851 15.650 ( -1.716 -0.705 0.000) 1.855 15.731 ( -0.226 -0.716 0.000) 0.750 15.788 ( -4.232 -0.785 0.000) 4.304 17.692 ( 0.998 0.966 0.000) 1.388 17.705 ( -0.239 0.715 0.000) 0.754 17.760 ( 2.710 -0.172 0.000) 2.715 17.801 ( -1.165 -1.072 0.000) 1.583 18.035 ( 2.665 0.525 0.000) 2.717 18.081 ( -1.933 0.025 0.000) 1.933 18.173 ( 2.205 -2.274 0.000) 3.167 18.230 ( -2.891 -3.005 0.000) 4.170 18.394 ( 0.579 -2.292 0.000) 2.364 18.421 ( 1.662 -1.128 0.000) 2.009 18.441 ( -2.224 -3.116 0.000) 3.828 18.488 ( -3.621 -1.992 0.000) 4.133 18.708 ( 4.946 -2.008 0.000) 5.338 18.805 ( -4.789 -2.027 0.000) 5.200 19.045 ( 4.356 -8.005 0.000) 9.113 19.095 ( -0.739 -7.924 0.000) 7.958 19.741 ( 8.563 -3.342 0.000) 9.192 19.753 ( 7.469 -5.432 0.000) 9.236 19.875 ( -5.715 -3.758 0.000) 6.840 19.886 ( -5.980 -4.318 0.000) 7.376 ======================= Grid point 20 (13/63) ======================= q-point: ( 0.00 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.295 ( 0.000 1.172 0.000) 1.172 1.333 ( 0.000 13.518 0.000) 13.518 1.549 ( 0.000 1.427 0.000) 1.427 1.629 ( 0.000 9.084 0.000) 9.084 1.699 ( 0.000 3.814 0.000) 3.814 1.706 ( 0.000 -6.464 0.000) 6.464 1.782 ( 0.000 7.992 0.000) 7.992 1.909 ( 0.000 3.605 0.000) 3.605 1.994 ( 0.000 0.790 0.000) 0.790 2.052 ( 0.000 3.487 0.000) 3.487 2.174 ( 0.000 4.321 0.000) 4.321 2.274 ( 0.000 -0.618 0.000) 0.618 2.482 ( 0.000 0.219 0.000) 0.219 2.509 ( 0.000 0.611 0.000) 0.611 2.738 ( 0.000 -5.138 0.000) 5.138 2.822 ( 0.000 -1.035 0.000) 1.035 2.923 ( 0.000 0.121 0.000) 0.121 3.017 ( 0.000 1.029 0.000) 1.029 3.036 ( 0.000 6.661 0.000) 6.661 3.046 ( 0.000 3.426 0.000) 3.426 3.214 ( 0.000 10.540 0.000) 10.540 3.260 ( 0.000 5.586 0.000) 5.586 3.306 ( 0.000 4.859 0.000) 4.859 3.431 ( 0.000 7.340 0.000) 7.340 3.473 ( 0.000 3.755 0.000) 3.755 3.840 ( 0.000 -3.053 0.000) 3.053 3.906 ( 0.000 -0.857 0.000) 0.857 3.935 ( 0.000 7.715 0.000) 7.715 3.992 ( 0.000 0.477 0.000) 0.477 4.052 ( 0.000 6.124 0.000) 6.124 4.176 ( 0.000 4.131 0.000) 4.131 4.289 ( 0.000 0.818 0.000) 0.818 4.495 ( 0.000 1.248 0.000) 1.248 4.601 ( 0.000 -0.071 0.000) 0.071 4.709 ( 0.000 0.360 0.000) 0.360 4.758 ( 0.000 -0.638 0.000) 0.638 4.905 ( 0.000 1.651 0.000) 1.651 5.034 ( 0.000 -0.878 0.000) 0.878 5.195 ( 0.000 2.290 0.000) 2.290 5.242 ( 0.000 0.813 0.000) 0.813 5.352 ( 0.000 0.179 0.000) 0.179 5.357 ( 0.000 -0.243 0.000) 0.243 5.617 ( 0.000 0.772 0.000) 0.772 5.682 ( 0.000 1.400 0.000) 1.400 6.291 ( 0.000 3.882 0.000) 3.882 6.477 ( 0.000 0.402 0.000) 0.402 6.733 ( 0.000 9.164 0.000) 9.164 6.809 ( 0.000 7.471 0.000) 7.471 6.940 ( 0.000 4.535 0.000) 4.535 7.007 ( 0.000 2.781 0.000) 2.781 7.210 ( 0.000 0.489 0.000) 0.489 7.264 ( 0.000 -1.862 0.000) 1.862 7.605 ( 0.000 -5.057 0.000) 5.057 7.619 ( 0.000 -3.219 0.000) 3.219 7.756 ( 0.000 -1.140 0.000) 1.140 7.860 ( 0.000 -2.064 0.000) 2.064 7.920 ( 0.000 5.954 0.000) 5.954 8.146 ( 0.000 3.323 0.000) 3.323 8.175 ( 0.000 5.028 0.000) 5.028 8.334 ( 0.000 1.001 0.000) 1.001 8.490 ( 0.000 6.825 0.000) 6.825 8.508 ( 0.000 8.533 0.000) 8.533 9.225 ( 0.000 3.120 0.000) 3.120 9.226 ( 0.000 3.432 0.000) 3.432 9.343 ( 0.000 2.923 0.000) 2.923 9.364 ( 0.000 2.082 0.000) 2.082 9.453 ( 0.000 6.569 0.000) 6.569 9.598 ( 0.000 -2.781 0.000) 2.781 9.633 ( 0.000 -3.522 0.000) 3.522 9.872 ( 0.000 -2.612 0.000) 2.612 10.134 ( 0.000 1.144 0.000) 1.144 10.244 ( 0.000 -1.310 0.000) 1.310 12.083 ( 0.000 0.182 0.000) 0.182 12.104 ( 0.000 0.067 0.000) 0.067 12.286 ( 0.000 2.873 0.000) 2.873 12.453 ( 0.000 -0.625 0.000) 0.625 13.446 ( 0.000 2.172 0.000) 2.172 13.557 ( 0.000 -0.753 0.000) 0.753 13.793 ( 0.000 3.623 0.000) 3.623 13.872 ( 0.000 2.082 0.000) 2.082 15.091 ( 0.000 0.636 0.000) 0.636 15.098 ( 0.000 0.335 0.000) 0.335 15.196 ( 0.000 1.740 0.000) 1.740 15.290 ( 0.000 -0.431 0.000) 0.431 15.518 ( 0.000 -3.011 0.000) 3.011 15.525 ( 0.000 -2.833 0.000) 2.833 15.875 ( 0.000 0.780 0.000) 0.780 15.902 ( 0.000 0.176 0.000) 0.176 17.618 ( 0.000 -0.370 0.000) 0.370 17.634 ( 0.000 -0.859 0.000) 0.859 17.714 ( 0.000 -1.365 0.000) 1.365 17.726 ( 0.000 -2.206 0.000) 2.206 18.016 ( 0.000 2.039 0.000) 2.039 18.110 ( 0.000 -0.039 0.000) 0.039 18.232 ( 0.000 -3.612 0.000) 3.612 18.314 ( 0.000 0.565 0.000) 0.565 18.322 ( 0.000 -3.120 0.000) 3.120 18.374 ( 0.000 0.187 0.000) 0.187 18.411 ( 0.000 -3.597 0.000) 3.597 18.471 ( 0.000 -2.320 0.000) 2.320 18.609 ( 0.000 -2.796 0.000) 2.796 18.637 ( 0.000 -3.820 0.000) 3.820 18.969 ( 0.000 -1.639 0.000) 1.639 18.995 ( 0.000 -1.795 0.000) 1.795 19.458 ( 0.000 -0.807 0.000) 0.807 19.498 ( 0.000 -2.965 0.000) 2.965 19.926 ( 0.000 -2.446 0.000) 2.446 19.936 ( 0.000 -2.719 0.000) 2.719 ======================= Grid point 21 (14/63) ======================= q-point: ( 0.20 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 93 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.167 ( -5.123 3.389 0.000) 6.142 1.371 ( -1.908 11.496 0.000) 11.653 1.544 ( -5.794 2.793 0.000) 6.432 1.621 ( -1.165 2.136 0.000) 2.433 1.649 ( 0.733 9.851 0.000) 9.879 1.741 ( 4.041 2.638 0.000) 4.826 1.828 ( 0.525 4.216 0.000) 4.249 1.873 ( -1.046 6.834 0.000) 6.914 2.030 ( 1.941 2.330 0.000) 3.033 2.081 ( 4.416 -1.053 0.000) 4.540 2.226 ( 4.081 0.215 0.000) 4.086 2.257 ( -1.301 -2.230 0.000) 2.582 2.406 ( -5.151 4.684 0.000) 6.963 2.515 ( -1.651 -0.698 0.000) 1.792 2.634 ( -6.678 -7.351 0.000) 9.932 2.853 ( -4.098 4.715 0.000) 6.247 2.890 ( 0.056 0.802 0.000) 0.804 2.949 ( -5.923 3.556 0.000) 6.909 2.987 ( 0.150 5.652 0.000) 5.654 3.065 ( -1.351 2.180 0.000) 2.565 3.138 ( -7.091 -0.785 0.000) 7.134 3.197 ( -3.751 5.811 0.000) 6.916 3.296 ( 0.233 5.157 0.000) 5.162 3.436 ( -0.234 6.446 0.000) 6.450 3.606 ( 11.034 1.984 0.000) 11.211 3.883 ( 4.411 2.600 0.000) 5.121 3.976 ( 5.715 2.311 0.000) 6.165 4.006 ( 5.990 0.939 0.000) 6.063 4.083 ( 9.790 3.421 0.000) 10.371 4.200 ( 4.854 5.952 0.000) 7.680 4.232 ( 9.356 4.250 0.000) 10.276 4.358 ( 9.425 0.533 0.000) 9.440 4.511 ( 0.958 1.285 0.000) 1.603 4.599 ( -4.524 0.766 0.000) 4.589 4.645 ( -8.165 0.759 0.000) 8.200 4.709 ( -7.840 -0.014 0.000) 7.840 4.754 ( 3.308 1.621 0.000) 3.683 4.893 ( -6.617 0.591 0.000) 6.643 5.252 ( -2.157 3.273 0.000) 3.920 5.337 ( -2.591 0.663 0.000) 2.674 5.464 ( 14.370 -0.907 0.000) 14.399 5.537 ( 15.773 -0.886 0.000) 15.798 5.639 ( 2.280 0.574 0.000) 2.351 5.705 ( 3.265 1.230 0.000) 3.489 6.227 ( -4.396 3.495 0.000) 5.616 6.353 ( -9.936 0.747 0.000) 9.964 6.684 ( -4.836 7.503 0.000) 8.927 6.805 ( -10.414 2.865 0.000) 10.801 6.895 ( 6.068 7.725 0.000) 9.823 7.075 ( -0.522 1.808 0.000) 1.882 7.151 ( -1.949 3.323 0.000) 3.853 7.242 ( -1.931 2.573 0.000) 3.217 7.575 ( -2.677 -2.613 0.000) 3.740 7.624 ( 0.519 -3.433 0.000) 3.472 7.714 ( -3.724 -1.292 0.000) 3.942 7.774 ( -5.462 -1.212 0.000) 5.595 7.998 ( 5.090 3.948 0.000) 6.442 8.111 ( -2.748 6.063 0.000) 6.657 8.218 ( 3.611 2.214 0.000) 4.236 8.360 ( -1.777 3.521 0.000) 3.944 8.444 ( -1.004 5.713 0.000) 5.801 8.539 ( 3.455 2.480 0.000) 4.253 9.034 ( -13.406 1.131 0.000) 13.454 9.051 ( -16.019 0.979 0.000) 16.049 9.266 ( -2.999 4.212 0.000) 5.171 9.352 ( -2.432 3.836 0.000) 4.542 9.453 ( 0.600 6.467 0.000) 6.495 9.647 ( 2.490 0.072 0.000) 2.491 9.817 ( 9.444 -0.880 0.000) 9.485 9.948 ( 8.643 -3.139 0.000) 9.196 10.136 ( 0.424 1.002 0.000) 1.088 10.257 ( 0.861 -1.541 0.000) 1.765 12.094 ( 1.182 0.445 0.000) 1.263 12.121 ( 1.508 0.009 0.000) 1.508 12.284 ( -0.034 2.765 0.000) 2.766 12.425 ( -2.824 -0.130 0.000) 2.827 13.489 ( 4.334 2.069 0.000) 4.803 13.582 ( 2.562 -0.083 0.000) 2.563 13.780 ( -1.384 3.405 0.000) 3.676 13.848 ( -2.500 2.089 0.000) 3.258 15.087 ( 0.174 0.172 0.000) 0.244 15.122 ( 1.784 0.255 0.000) 1.802 15.181 ( -1.616 1.329 0.000) 2.092 15.269 ( -2.164 -0.602 0.000) 2.246 15.519 ( 1.394 -1.991 0.000) 2.431 15.569 ( 3.493 -2.510 0.000) 4.301 15.823 ( -5.062 0.783 0.000) 5.122 15.862 ( -3.981 -0.104 0.000) 3.982 17.658 ( 3.350 -0.154 0.000) 3.354 17.674 ( 3.560 -0.417 0.000) 3.585 17.714 ( 0.727 -0.873 0.000) 1.136 17.750 ( 1.734 -2.234 0.000) 2.828 18.025 ( 0.964 1.958 0.000) 2.182 18.106 ( -0.499 0.029 0.000) 0.500 18.191 ( -5.059 -0.302 0.000) 5.068 18.218 ( -2.600 -2.514 0.000) 3.617 18.345 ( 0.081 -2.245 0.000) 2.246 18.375 ( 0.438 -0.892 0.000) 0.994 18.421 ( -0.811 -2.489 0.000) 2.618 18.484 ( -0.319 -2.619 0.000) 2.638 18.602 ( 1.456 -2.039 0.000) 2.506 18.724 ( 6.033 -5.437 0.000) 8.121 18.922 ( -3.924 -1.770 0.000) 4.305 18.985 ( -1.363 -3.733 0.000) 3.974 19.532 ( 6.962 -1.590 0.000) 7.141 19.546 ( 4.984 -2.851 0.000) 5.742 19.896 ( -3.214 -2.553 0.000) 4.105 19.905 ( -3.256 -2.757 0.000) 4.266 ======================= Grid point 22 (15/63) ======================= q-point: ( 0.40 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 93 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.164 ( 4.821 4.173 0.000) 6.376 1.301 ( -6.867 6.732 0.000) 9.616 1.422 ( -1.710 7.650 0.000) 7.838 1.501 ( -7.637 6.893 0.000) 10.288 1.738 ( 4.425 8.655 0.000) 9.720 1.800 ( -2.312 7.982 0.000) 8.310 1.822 ( 3.730 5.854 0.000) 6.941 1.868 ( -1.100 6.938 0.000) 7.024 2.082 ( 5.471 5.830 0.000) 7.995 2.168 ( 3.102 -7.439 0.000) 8.060 2.221 ( -2.580 -5.817 0.000) 6.363 2.233 ( -7.710 4.626 0.000) 8.991 2.397 ( 9.187 2.420 0.000) 9.500 2.488 ( 1.357 -4.791 0.000) 4.980 2.563 ( -3.254 -4.748 0.000) 5.756 2.657 ( -14.314 3.659 0.000) 14.774 2.826 ( 2.924 5.425 0.000) 6.162 2.939 ( -6.618 -1.104 0.000) 6.709 3.013 ( 4.143 -0.078 0.000) 4.143 3.058 ( 1.315 3.433 0.000) 3.676 3.083 ( 0.121 0.837 0.000) 0.845 3.132 ( -3.097 3.681 0.000) 4.810 3.307 ( 1.220 5.700 0.000) 5.829 3.364 ( -4.685 5.378 0.000) 7.132 3.846 ( 12.263 0.618 0.000) 12.278 3.973 ( 2.312 1.306 0.000) 2.656 4.036 ( 0.805 3.323 0.000) 3.420 4.070 ( -0.485 1.433 0.000) 1.513 4.243 ( 1.434 5.344 0.000) 5.533 4.270 ( 3.376 2.122 0.000) 3.988 4.379 ( 2.581 1.435 0.000) 2.953 4.411 ( 3.222 3.558 0.000) 4.800 4.487 ( -2.732 1.556 0.000) 3.144 4.500 ( -6.677 1.967 0.000) 6.961 4.639 ( 8.461 4.621 0.000) 9.640 4.769 ( -2.604 2.258 0.000) 3.446 4.815 ( 12.394 2.133 0.000) 12.576 4.916 ( 12.782 -0.140 0.000) 12.783 5.112 ( -12.490 2.963 0.000) 12.837 5.195 ( -12.787 0.906 0.000) 12.819 5.663 ( 5.348 -0.745 0.000) 5.400 5.687 ( 2.004 -0.739 0.000) 2.136 5.736 ( 6.330 1.508 0.000) 6.508 5.802 ( 1.471 -0.200 0.000) 1.485 6.232 ( 6.192 2.620 0.000) 6.724 6.261 ( 2.938 1.824 0.000) 3.458 6.527 ( -10.220 2.231 0.000) 10.461 6.561 ( -13.504 0.567 0.000) 13.516 7.009 ( 5.974 7.970 0.000) 9.961 7.054 ( 0.406 6.893 0.000) 6.905 7.123 ( -1.676 6.401 0.000) 6.617 7.171 ( -5.995 5.976 0.000) 8.465 7.569 ( 2.496 -0.964 0.000) 2.676 7.624 ( -1.252 -0.906 0.000) 1.546 7.653 ( -1.596 -2.035 0.000) 2.586 7.683 ( -3.836 -2.675 0.000) 4.676 8.096 ( 5.467 3.083 0.000) 6.277 8.111 ( 3.583 5.345 0.000) 6.435 8.206 ( -4.591 3.372 0.000) 5.696 8.237 ( -8.643 4.744 0.000) 9.859 8.529 ( 9.230 1.545 0.000) 9.359 8.652 ( 7.125 -1.250 0.000) 7.233 8.756 ( -13.619 0.253 0.000) 13.622 8.815 ( -9.692 -0.982 0.000) 9.742 9.250 ( 1.179 5.842 0.000) 5.960 9.296 ( -3.224 5.773 0.000) 6.612 9.497 ( 4.200 5.848 0.000) 7.200 9.597 ( -5.566 3.749 0.000) 6.711 9.983 ( 7.385 -0.685 0.000) 7.416 10.064 ( -0.025 -1.882 0.000) 1.882 10.175 ( 4.824 -0.738 0.000) 4.880 10.250 ( -2.116 -1.758 0.000) 2.751 12.122 ( 1.514 0.719 0.000) 1.676 12.140 ( -0.014 0.358 0.000) 0.358 12.300 ( 2.098 2.095 0.000) 2.965 12.359 ( -3.765 0.939 0.000) 3.880 13.588 ( 5.285 1.799 0.000) 5.583 13.635 ( 1.559 0.986 0.000) 1.845 13.749 ( -1.003 2.798 0.000) 2.972 13.785 ( -3.730 2.180 0.000) 4.320 15.102 ( 1.509 0.116 0.000) 1.514 15.140 ( -2.265 0.680 0.000) 2.365 15.163 ( 2.463 -0.594 0.000) 2.534 15.217 ( -3.091 -0.844 0.000) 3.204 15.575 ( 4.365 -0.272 0.000) 4.373 15.635 ( 1.588 -0.872 0.000) 1.811 15.722 ( -3.215 -0.071 0.000) 3.215 15.771 ( -5.060 -0.796 0.000) 5.122 17.708 ( 1.561 0.621 0.000) 1.680 17.717 ( 0.707 0.372 0.000) 0.799 17.753 ( 2.506 -0.437 0.000) 2.544 17.774 ( 0.395 -1.431 0.000) 1.484 18.053 ( 1.918 1.262 0.000) 2.296 18.087 ( -1.525 0.543 0.000) 1.619 18.141 ( 0.231 -0.908 0.000) 0.937 18.174 ( -2.426 -2.333 0.000) 3.366 18.347 ( 0.796 -2.082 0.000) 2.229 18.382 ( -2.550 -2.389 0.000) 3.494 18.403 ( 2.247 -0.984 0.000) 2.453 18.452 ( -2.609 -1.677 0.000) 3.101 18.669 ( 5.042 -1.725 0.000) 5.329 18.763 ( -3.521 -2.133 0.000) 4.116 18.888 ( 2.115 -6.958 0.000) 7.273 18.944 ( -2.855 -6.608 0.000) 7.198 19.670 ( 7.597 -2.882 0.000) 8.125 19.681 ( 8.016 -2.476 0.000) 8.390 19.805 ( -6.278 -2.818 0.000) 6.882 19.816 ( -6.082 -2.748 0.000) 6.673 ======================= Grid point 25 (16/63) ======================= q-point: ( 0.00 0.42 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.299 ( 0.000 1.105 0.000) 1.105 1.472 ( 0.000 -2.165 0.000) 2.165 1.568 ( 0.000 -0.246 0.000) 0.246 1.667 ( 0.000 6.843 0.000) 6.843 1.682 ( 0.000 -0.850 0.000) 0.850 1.859 ( 0.000 3.952 0.000) 3.952 1.937 ( 0.000 4.973 0.000) 4.973 1.998 ( 0.000 4.386 0.000) 4.386 2.030 ( 0.000 7.240 0.000) 7.240 2.119 ( 0.000 3.131 0.000) 3.131 2.175 ( 0.000 -1.658 0.000) 1.658 2.224 ( 0.000 -3.220 0.000) 3.220 2.430 ( 0.000 -4.098 0.000) 4.098 2.499 ( 0.000 -4.074 0.000) 4.074 2.651 ( 0.000 -1.218 0.000) 1.218 2.770 ( 0.000 -4.183 0.000) 4.183 2.872 ( 0.000 -2.000 0.000) 2.000 2.947 ( 0.000 -4.927 0.000) 4.927 3.149 ( 0.000 3.860 0.000) 3.860 3.154 ( 0.000 3.993 0.000) 3.993 3.285 ( 0.000 0.910 0.000) 0.910 3.337 ( 0.000 -0.970 0.000) 0.970 3.478 ( 0.000 12.762 0.000) 12.762 3.629 ( 0.000 8.326 0.000) 8.326 3.643 ( 0.000 9.377 0.000) 9.377 3.777 ( 0.000 -3.276 0.000) 3.276 3.908 ( 0.000 1.627 0.000) 1.627 3.999 ( 0.000 0.799 0.000) 0.799 4.004 ( 0.000 0.469 0.000) 0.469 4.127 ( 0.000 -3.735 0.000) 3.735 4.280 ( 0.000 8.810 0.000) 8.810 4.378 ( 0.000 6.522 0.000) 6.522 4.491 ( 0.000 -1.676 0.000) 1.676 4.581 ( 0.000 -2.101 0.000) 2.101 4.705 ( 0.000 -0.370 0.000) 0.370 4.736 ( 0.000 -1.431 0.000) 1.431 4.939 ( 0.000 1.761 0.000) 1.761 5.010 ( 0.000 -1.455 0.000) 1.455 5.242 ( 0.000 2.042 0.000) 2.042 5.262 ( 0.000 0.884 0.000) 0.884 5.354 ( 0.000 -0.100 0.000) 0.100 5.354 ( 0.000 -0.031 0.000) 0.031 5.641 ( 0.000 1.501 0.000) 1.501 5.693 ( 0.000 -0.347 0.000) 0.347 6.364 ( 0.000 3.306 0.000) 3.306 6.464 ( 0.000 -1.444 0.000) 1.444 6.868 ( 0.000 4.018 0.000) 4.018 6.899 ( 0.000 1.908 0.000) 1.908 7.032 ( 0.000 4.063 0.000) 4.063 7.063 ( 0.000 2.576 0.000) 2.576 7.225 ( 0.000 0.842 0.000) 0.842 7.235 ( 0.000 -0.792 0.000) 0.792 7.514 ( 0.000 -3.534 0.000) 3.534 7.537 ( 0.000 -4.144 0.000) 4.144 7.752 ( 0.000 0.560 0.000) 0.560 7.813 ( 0.000 -2.245 0.000) 2.245 8.043 ( 0.000 5.634 0.000) 5.634 8.165 ( 0.000 -0.179 0.000) 0.179 8.281 ( 0.000 3.861 0.000) 3.861 8.342 ( 0.000 0.015 0.000) 0.015 8.621 ( 0.000 5.274 0.000) 5.274 8.645 ( 0.000 4.591 0.000) 4.591 9.286 ( 0.000 2.813 0.000) 2.813 9.298 ( 0.000 3.408 0.000) 3.408 9.372 ( 0.000 0.074 0.000) 0.074 9.392 ( 0.000 0.412 0.000) 0.412 9.536 ( 0.000 -0.306 0.000) 0.306 9.544 ( 0.000 -2.199 0.000) 2.199 9.620 ( 0.000 4.193 0.000) 4.193 9.810 ( 0.000 -3.650 0.000) 3.650 10.161 ( 0.000 1.503 0.000) 1.503 10.219 ( 0.000 -1.220 0.000) 1.220 12.089 ( 0.000 0.385 0.000) 0.385 12.103 ( 0.000 -0.172 0.000) 0.172 12.345 ( 0.000 2.841 0.000) 2.841 12.434 ( 0.000 -1.339 0.000) 1.339 13.485 ( 0.000 1.664 0.000) 1.664 13.539 ( 0.000 -1.061 0.000) 1.061 13.859 ( 0.000 2.755 0.000) 2.755 13.902 ( 0.000 0.773 0.000) 0.773 15.102 ( 0.000 0.428 0.000) 0.428 15.105 ( 0.000 0.261 0.000) 0.261 15.230 ( 0.000 1.534 0.000) 1.534 15.278 ( 0.000 -0.810 0.000) 0.810 15.469 ( 0.000 -1.697 0.000) 1.697 15.475 ( 0.000 -1.904 0.000) 1.904 15.890 ( 0.000 0.664 0.000) 0.664 15.904 ( 0.000 -0.025 0.000) 0.025 17.615 ( 0.000 0.015 0.000) 0.015 17.621 ( 0.000 -0.353 0.000) 0.353 17.685 ( 0.000 -1.318 0.000) 1.318 17.686 ( 0.000 -1.568 0.000) 1.568 18.074 ( 0.000 3.653 0.000) 3.653 18.112 ( 0.000 0.320 0.000) 0.320 18.168 ( 0.000 -2.571 0.000) 2.571 18.255 ( 0.000 -3.920 0.000) 3.920 18.310 ( 0.000 -0.515 0.000) 0.515 18.335 ( 0.000 -2.880 0.000) 2.880 18.393 ( 0.000 1.363 0.000) 1.363 18.443 ( 0.000 -1.010 0.000) 1.010 18.566 ( 0.000 -1.402 0.000) 1.402 18.576 ( 0.000 -2.100 0.000) 2.100 18.947 ( 0.000 -0.515 0.000) 0.515 18.964 ( 0.000 -1.219 0.000) 1.219 19.445 ( 0.000 -0.439 0.000) 0.439 19.456 ( 0.000 -1.297 0.000) 1.297 19.888 ( 0.000 -1.262 0.000) 1.262 19.892 ( 0.000 -1.508 0.000) 1.508 ======================= Grid point 26 (17/63) ======================= q-point: ( 0.20 0.42 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.224 ( -2.874 4.232 0.000) 5.115 1.530 ( -0.062 -3.361 0.000) 3.361 1.586 ( -4.937 4.149 0.000) 6.449 1.622 ( 6.244 0.797 0.000) 6.294 1.763 ( 2.906 2.446 0.000) 3.799 1.834 ( -0.462 6.283 0.000) 6.300 1.938 ( 0.356 4.358 0.000) 4.372 1.991 ( -1.834 3.119 0.000) 3.618 2.055 ( 3.171 4.353 0.000) 5.385 2.136 ( 0.778 4.616 0.000) 4.681 2.172 ( -1.114 -3.626 0.000) 3.793 2.188 ( 0.137 -3.191 0.000) 3.194 2.420 ( -0.595 -3.210 0.000) 3.265 2.490 ( -1.728 -5.436 0.000) 5.704 2.566 ( -6.753 4.313 0.000) 8.013 2.799 ( 0.229 -7.115 0.000) 7.119 2.838 ( 0.153 -1.588 0.000) 1.596 2.957 ( 0.487 -5.412 0.000) 5.434 3.056 ( -11.237 3.208 0.000) 11.686 3.092 ( -8.105 2.289 0.000) 8.422 3.243 ( -4.514 5.130 0.000) 6.834 3.283 ( -1.147 2.167 0.000) 2.452 3.419 ( -2.439 5.833 0.000) 6.323 3.531 ( -5.328 1.868 0.000) 5.646 3.701 ( 8.823 7.656 0.000) 11.682 3.919 ( 5.605 0.380 0.000) 5.618 4.007 ( 7.783 1.860 0.000) 8.002 4.043 ( 4.450 1.051 0.000) 4.572 4.149 ( 12.271 2.947 0.000) 12.620 4.247 ( 8.436 -1.433 0.000) 8.557 4.347 ( 3.987 6.445 0.000) 7.578 4.429 ( 8.937 6.021 0.000) 10.776 4.512 ( 0.710 -1.228 0.000) 1.418 4.599 ( -0.711 -1.096 0.000) 1.307 4.657 ( -3.808 0.537 0.000) 3.845 4.693 ( -2.795 -1.093 0.000) 3.001 4.802 ( -3.513 2.777 0.000) 4.479 4.891 ( -5.879 -0.917 0.000) 5.950 5.306 ( -2.579 1.982 0.000) 3.252 5.342 ( -2.423 -0.076 0.000) 2.424 5.460 ( 14.314 0.511 0.000) 14.323 5.511 ( 15.076 -1.509 0.000) 15.151 5.662 ( 2.447 1.561 0.000) 2.903 5.714 ( 2.714 -0.315 0.000) 2.732 6.291 ( -5.224 2.692 0.000) 5.877 6.355 ( -8.305 -0.453 0.000) 8.318 6.785 ( -9.835 2.826 0.000) 10.233 6.829 ( -11.739 0.067 0.000) 11.739 7.025 ( 5.241 4.712 0.000) 7.048 7.098 ( 3.312 0.422 0.000) 3.339 7.233 ( 1.411 4.415 0.000) 4.635 7.293 ( 2.135 2.116 0.000) 3.006 7.516 ( -0.203 -2.781 0.000) 2.789 7.547 ( 1.694 -3.874 0.000) 4.228 7.700 ( -4.523 -0.062 0.000) 4.523 7.742 ( -5.877 -1.769 0.000) 6.137 8.090 ( 3.598 4.613 0.000) 5.850 8.183 ( -0.540 0.942 0.000) 1.086 8.279 ( 2.417 3.690 0.000) 4.411 8.385 ( 1.699 -0.575 0.000) 1.794 8.547 ( -5.394 4.156 0.000) 6.810 8.595 ( -3.738 2.088 0.000) 4.282 9.058 ( -15.361 1.211 0.000) 15.408 9.070 ( -17.292 0.754 0.000) 17.308 9.341 ( -0.401 3.106 0.000) 3.132 9.401 ( 0.619 0.838 0.000) 1.042 9.570 ( 0.149 4.830 0.000) 4.832 9.650 ( 3.938 0.216 0.000) 3.944 9.803 ( 11.297 -0.257 0.000) 11.300 9.881 ( 8.685 -3.360 0.000) 9.313 10.162 ( 0.070 1.501 0.000) 1.502 10.227 ( 0.414 -1.512 0.000) 1.568 12.104 ( 1.504 0.509 0.000) 1.587 12.120 ( 1.564 -0.169 0.000) 1.573 12.340 ( -0.413 2.648 0.000) 2.680 12.415 ( -1.866 -0.891 0.000) 2.068 13.526 ( 4.157 1.588 0.000) 4.450 13.574 ( 3.466 -0.728 0.000) 3.541 13.841 ( -1.929 2.485 0.000) 3.146 13.878 ( -2.500 0.786 0.000) 2.620 15.094 ( -0.051 0.507 0.000) 0.510 15.119 ( 0.920 -0.448 0.000) 1.023 15.208 ( -2.213 1.333 0.000) 2.584 15.254 ( -2.416 -0.880 0.000) 2.571 15.492 ( 3.080 -0.631 0.000) 3.144 15.523 ( 4.210 -1.942 0.000) 4.637 15.839 ( -5.045 0.729 0.000) 5.097 15.858 ( -4.493 -0.242 0.000) 4.499 17.657 ( 3.755 0.090 0.000) 3.756 17.666 ( 4.028 -0.297 0.000) 4.039 17.697 ( 1.531 -0.726 0.000) 1.694 17.710 ( 2.069 -1.549 0.000) 2.585 18.077 ( 0.253 3.115 0.000) 3.125 18.109 ( -0.346 0.343 0.000) 0.487 18.157 ( -1.066 -2.104 0.000) 2.358 18.189 ( -4.366 -1.327 0.000) 4.563 18.313 ( -0.021 -0.878 0.000) 0.878 18.346 ( 1.008 -2.060 0.000) 2.293 18.392 ( -1.356 -0.138 0.000) 1.363 18.438 ( -0.510 -1.988 0.000) 2.052 18.573 ( 1.983 -0.667 0.000) 2.093 18.628 ( 4.160 -3.672 0.000) 5.549 18.899 ( -4.789 -0.545 0.000) 4.820 18.927 ( -3.735 -2.020 0.000) 4.246 19.506 ( 5.492 -0.972 0.000) 5.577 19.508 ( 5.690 -1.011 0.000) 5.779 19.856 ( -3.327 -1.278 0.000) 3.564 19.861 ( -3.267 -1.508 0.000) 3.598 ======================= Grid point 27 (18/63) ======================= q-point: ( 0.40 0.42 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.256 ( 6.222 5.979 0.000) 8.629 1.421 ( -9.714 3.885 0.000) 10.463 1.564 ( 2.419 6.622 0.000) 7.050 1.638 ( -4.284 4.864 0.000) 6.481 1.834 ( 6.588 -4.577 0.000) 8.022 1.870 ( 2.590 2.813 0.000) 3.824 1.925 ( -2.942 1.719 0.000) 3.407 1.946 ( -3.523 -0.352 0.000) 3.540 2.090 ( 0.612 3.037 0.000) 3.098 2.102 ( -1.358 -1.111 0.000) 1.755 2.214 ( 5.845 5.488 0.000) 8.018 2.298 ( 7.335 -1.380 0.000) 7.464 2.368 ( -6.439 0.141 0.000) 6.440 2.425 ( -3.379 -3.648 0.000) 4.972 2.514 ( 3.648 3.276 0.000) 4.903 2.708 ( -13.560 -0.417 0.000) 13.567 2.832 ( -0.997 -2.034 0.000) 2.265 2.859 ( -1.481 -4.704 0.000) 4.931 2.970 ( 0.942 -4.324 0.000) 4.426 2.995 ( -2.248 -2.626 0.000) 3.457 3.218 ( 0.211 5.343 0.000) 5.347 3.242 ( -2.216 4.118 0.000) 4.677 3.411 ( 0.506 4.064 0.000) 4.096 3.441 ( -3.207 2.356 0.000) 3.979 3.891 ( 9.695 3.638 0.000) 10.355 3.991 ( 1.215 0.248 0.000) 1.240 4.089 ( -0.295 1.411 0.000) 1.442 4.095 ( 0.543 1.086 0.000) 1.214 4.323 ( 4.292 3.302 0.000) 5.415 4.359 ( 1.874 4.636 0.000) 5.000 4.398 ( 1.993 0.776 0.000) 2.138 4.465 ( -0.420 1.167 0.000) 1.240 4.510 ( -1.926 1.307 0.000) 2.328 4.537 ( -2.269 1.005 0.000) 2.482 4.733 ( 5.536 4.312 0.000) 7.017 4.807 ( -1.937 1.298 0.000) 2.332 4.848 ( 16.183 1.176 0.000) 16.226 4.905 ( 14.215 -0.939 0.000) 14.246 5.164 ( -12.859 2.082 0.000) 13.026 5.205 ( -12.936 0.041 0.000) 12.936 5.653 ( 5.071 -0.063 0.000) 5.071 5.674 ( 2.276 -0.627 0.000) 2.361 5.758 ( 5.725 0.826 0.000) 5.784 5.792 ( 2.796 -0.706 0.000) 2.884 6.274 ( 4.775 1.545 0.000) 5.018 6.288 ( 3.235 0.819 0.000) 3.337 6.551 ( -12.395 0.578 0.000) 12.408 6.564 ( -13.580 -0.135 0.000) 13.581 7.142 ( 5.991 4.832 0.000) 7.697 7.171 ( 3.735 4.064 0.000) 5.520 7.231 ( -1.582 4.300 0.000) 4.582 7.268 ( -4.488 3.345 0.000) 5.598 7.547 ( 3.621 -1.054 0.000) 3.772 7.583 ( 1.802 -2.579 0.000) 3.146 7.621 ( -3.441 -1.143 0.000) 3.626 7.635 ( -4.793 -1.844 0.000) 5.136 8.160 ( 4.313 2.921 0.000) 5.209 8.189 ( 2.520 2.213 0.000) 3.353 8.266 ( -4.741 2.523 0.000) 5.371 8.303 ( -8.074 1.610 0.000) 8.233 8.564 ( 7.779 1.804 0.000) 7.985 8.627 ( 6.862 -1.264 0.000) 6.977 8.772 ( -13.669 1.158 0.000) 13.718 8.802 ( -11.513 -0.380 0.000) 11.520 9.356 ( 1.756 4.366 0.000) 4.706 9.392 ( -1.615 3.263 0.000) 3.641 9.588 ( 2.186 3.198 0.000) 3.874 9.642 ( -2.841 0.798 0.000) 2.951 9.977 ( 6.824 0.222 0.000) 6.827 10.025 ( 3.140 -1.837 0.000) 3.638 10.171 ( 1.656 0.343 0.000) 1.691 10.216 ( -1.839 -1.589 0.000) 2.431 12.135 ( 1.430 0.565 0.000) 1.537 12.145 ( 0.602 0.122 0.000) 0.615 12.340 ( 0.780 1.758 0.000) 1.924 12.372 ( -2.371 0.266 0.000) 2.386 13.620 ( 4.789 1.289 0.000) 4.960 13.646 ( 2.837 0.105 0.000) 2.839 13.796 ( -2.018 1.801 0.000) 2.705 13.817 ( -3.498 0.881 0.000) 3.607 15.108 ( 1.713 0.510 0.000) 1.788 15.144 ( 1.489 -1.008 0.000) 1.799 15.157 ( -2.447 0.815 0.000) 2.580 15.197 ( -3.226 -1.053 0.000) 3.393 15.578 ( 5.565 0.508 0.000) 5.589 15.614 ( 4.451 -1.083 0.000) 4.581 15.728 ( -5.433 0.524 0.000) 5.458 15.756 ( -5.766 -0.756 0.000) 5.815 17.718 ( 1.848 0.312 0.000) 1.874 17.721 ( 1.427 0.065 0.000) 1.428 17.744 ( 2.290 -0.455 0.000) 2.334 17.749 ( 1.479 -0.937 0.000) 1.750 18.082 ( 0.430 1.417 0.000) 1.481 18.096 ( -0.946 0.277 0.000) 0.986 18.134 ( -0.753 -0.005 0.000) 0.753 18.139 ( -1.124 -0.997 0.000) 1.502 18.318 ( 0.855 -0.578 0.000) 1.032 18.347 ( -1.968 -1.059 0.000) 2.235 18.378 ( 1.615 -1.228 0.000) 2.029 18.415 ( -1.849 -2.041 0.000) 2.754 18.644 ( 5.289 -0.528 0.000) 5.315 18.708 ( 2.848 -3.328 0.000) 4.380 18.793 ( -4.616 -2.065 0.000) 5.057 18.837 ( -5.301 -3.854 0.000) 6.554 19.631 ( 7.450 -1.044 0.000) 7.523 19.642 ( 7.563 -1.409 0.000) 7.693 19.765 ( -6.268 -1.217 0.000) 6.385 19.773 ( -6.038 -1.527 0.000) 6.228 ======================= Grid point 30 (19/63) ======================= q-point: ( 0.00 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.364 ( 0.000 -5.229 0.000) 5.229 1.364 ( 0.000 5.231 0.000) 5.231 1.626 ( 0.000 -4.050 0.000) 4.050 1.626 ( 0.000 4.050 0.000) 4.050 1.806 ( 0.000 -5.709 0.000) 5.709 1.806 ( 0.000 5.710 0.000) 5.710 2.023 ( 0.000 -2.522 0.000) 2.522 2.023 ( 0.000 2.524 0.000) 2.524 2.153 ( 0.000 -0.729 0.000) 0.729 2.153 ( 0.000 0.731 0.000) 0.731 2.195 ( 0.000 -1.610 0.000) 1.610 2.195 ( 0.000 1.612 0.000) 1.612 2.378 ( 0.000 -3.009 0.000) 3.009 2.378 ( 0.000 3.011 0.000) 3.011 2.686 ( 0.000 -3.389 0.000) 3.389 2.686 ( 0.000 3.392 0.000) 3.392 2.872 ( 0.000 -1.916 0.000) 1.916 2.872 ( 0.000 1.917 0.000) 1.917 3.189 ( 0.000 -0.220 0.000) 0.220 3.189 ( 0.000 0.222 0.000) 0.222 3.308 ( 0.000 -1.447 0.000) 1.447 3.308 ( 0.000 1.448 0.000) 1.448 3.682 ( 0.000 -6.778 0.000) 6.778 3.682 ( 0.000 6.782 0.000) 6.782 3.734 ( 0.000 -0.916 0.000) 0.916 3.734 ( 0.000 0.922 0.000) 0.922 3.986 ( 0.000 -4.117 0.000) 4.117 3.986 ( 0.000 4.120 0.000) 4.120 4.020 ( 0.000 -2.806 0.000) 2.806 4.020 ( 0.000 2.807 0.000) 2.807 4.425 ( 0.000 -4.986 0.000) 4.986 4.425 ( 0.000 4.988 0.000) 4.988 4.506 ( 0.000 -5.379 0.000) 5.379 4.506 ( 0.000 5.381 0.000) 5.381 4.709 ( 0.000 -0.921 0.000) 0.921 4.709 ( 0.000 0.922 0.000) 0.922 4.976 ( 0.000 -1.838 0.000) 1.838 4.976 ( 0.000 1.839 0.000) 1.839 5.268 ( 0.000 -0.452 0.000) 0.452 5.268 ( 0.000 0.454 0.000) 0.454 5.353 ( 0.000 -0.028 0.000) 0.028 5.353 ( 0.000 0.029 0.000) 0.029 5.673 ( 0.000 -1.455 0.000) 1.455 5.673 ( 0.000 1.457 0.000) 1.457 6.423 ( 0.000 -2.523 0.000) 2.523 6.423 ( 0.000 2.525 0.000) 2.525 6.910 ( 0.000 -0.596 0.000) 0.596 6.910 ( 0.000 0.598 0.000) 0.598 7.085 ( 0.000 -0.843 0.000) 0.843 7.085 ( 0.000 0.847 0.000) 0.847 7.233 ( 0.000 -0.178 0.000) 0.178 7.233 ( 0.000 0.180 0.000) 0.180 7.481 ( 0.000 -0.688 0.000) 0.688 7.481 ( 0.000 0.689 0.000) 0.689 7.774 ( 0.000 -1.556 0.000) 1.556 7.774 ( 0.000 1.557 0.000) 1.557 8.133 ( 0.000 -3.073 0.000) 3.073 8.133 ( 0.000 3.078 0.000) 3.078 8.331 ( 0.000 -1.288 0.000) 1.288 8.331 ( 0.000 1.290 0.000) 1.290 8.685 ( 0.000 -0.741 0.000) 0.741 8.685 ( 0.000 0.744 0.000) 0.744 9.332 ( 0.000 -1.238 0.000) 1.238 9.332 ( 0.000 1.238 0.000) 1.238 9.376 ( 0.000 -1.528 0.000) 1.528 9.376 ( 0.000 1.532 0.000) 1.532 9.522 ( 0.000 -0.049 0.000) 0.049 9.522 ( 0.000 0.050 0.000) 0.050 9.723 ( 0.000 -4.907 0.000) 4.907 9.723 ( 0.000 4.909 0.000) 4.909 10.192 ( 0.000 -1.473 0.000) 1.473 10.192 ( 0.000 1.476 0.000) 1.476 12.097 ( 0.000 -0.379 0.000) 0.379 12.097 ( 0.000 0.380 0.000) 0.380 12.397 ( 0.000 -2.240 0.000) 2.240 12.397 ( 0.000 2.241 0.000) 2.241 13.515 ( 0.000 -1.318 0.000) 1.318 13.515 ( 0.000 1.319 0.000) 1.319 13.899 ( 0.000 -1.090 0.000) 1.090 13.899 ( 0.000 1.090 0.000) 1.090 15.107 ( 0.000 -0.046 0.000) 0.046 15.107 ( 0.000 0.046 0.000) 0.046 15.258 ( 0.000 -1.192 0.000) 1.192 15.258 ( 0.000 1.192 0.000) 1.192 15.453 ( 0.000 -0.193 0.000) 0.193 15.453 ( 0.000 0.193 0.000) 0.193 15.900 ( 0.000 -0.344 0.000) 0.344 15.900 ( 0.000 0.344 0.000) 0.344 17.617 ( 0.000 -0.143 0.000) 0.143 17.617 ( 0.000 0.143 0.000) 0.143 17.669 ( 0.000 -0.013 0.000) 0.013 17.669 ( 0.000 0.013 0.000) 0.013 18.126 ( 0.000 -1.052 0.000) 1.052 18.126 ( 0.000 1.052 0.000) 1.052 18.163 ( 0.000 -4.547 0.000) 4.547 18.163 ( 0.000 4.547 0.000) 4.547 18.306 ( 0.000 -0.311 0.000) 0.311 18.306 ( 0.000 0.312 0.000) 0.312 18.421 ( 0.000 -1.235 0.000) 1.235 18.421 ( 0.000 1.236 0.000) 1.236 18.553 ( 0.000 -0.196 0.000) 0.196 18.553 ( 0.000 0.197 0.000) 0.197 18.947 ( 0.000 -0.463 0.000) 0.463 18.947 ( 0.000 0.463 0.000) 0.463 19.442 ( 0.000 -0.206 0.000) 0.206 19.442 ( 0.000 0.207 0.000) 0.207 19.876 ( 0.000 -0.113 0.000) 0.113 19.876 ( 0.000 0.114 0.000) 0.114 ======================= Grid point 32 (20/63) ======================= q-point: ( 0.20 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.363 ( 0.645 -9.064 0.000) 9.087 1.363 ( 0.645 9.066 0.000) 9.089 1.632 ( 0.971 -0.768 0.000) 1.238 1.632 ( 0.971 0.769 0.000) 1.238 1.869 ( 2.930 -3.076 0.000) 4.248 1.869 ( 2.930 3.076 0.000) 4.248 1.974 ( -3.591 -1.983 0.000) 4.102 1.974 ( -3.591 1.984 0.000) 4.103 2.142 ( -1.658 -0.073 0.000) 1.660 2.142 ( -1.658 0.076 0.000) 1.660 2.185 ( 1.220 -1.880 0.000) 2.241 2.185 ( 1.220 1.881 0.000) 2.242 2.387 ( 0.608 -0.663 0.000) 0.899 2.387 ( 0.608 0.665 0.000) 0.901 2.668 ( -1.850 -3.615 0.000) 4.060 2.668 ( -1.850 3.617 0.000) 4.063 2.855 ( -1.085 -1.536 0.000) 1.881 2.855 ( -1.085 1.537 0.000) 1.881 3.101 ( -10.224 -1.096 0.000) 10.283 3.101 ( -10.223 1.100 0.000) 10.282 3.296 ( -0.798 -0.769 0.000) 1.108 3.296 ( -0.799 0.772 0.000) 1.110 3.512 ( -6.154 -2.862 0.000) 6.787 3.512 ( -6.154 2.866 0.000) 6.789 3.862 ( 5.753 -6.223 0.000) 8.474 3.862 ( 5.753 6.226 0.000) 8.477 4.041 ( 6.019 -0.839 0.000) 6.077 4.041 ( 6.019 0.841 0.000) 6.077 4.203 ( 12.559 -2.392 0.000) 12.785 4.203 ( 12.559 2.394 0.000) 12.785 4.456 ( 1.819 -3.074 0.000) 3.572 4.456 ( 1.820 3.077 0.000) 3.574 4.544 ( 3.921 -4.111 0.000) 5.681 4.544 ( 3.920 4.113 0.000) 5.682 4.672 ( -1.906 -0.893 0.000) 2.105 4.672 ( -1.906 0.894 0.000) 2.105 4.857 ( -5.368 -1.728 0.000) 5.639 4.857 ( -5.367 1.729 0.000) 5.639 5.333 ( -2.588 -0.830 0.000) 2.718 5.333 ( -2.588 0.831 0.000) 2.718 5.481 ( 14.303 -1.124 0.000) 14.347 5.481 ( 14.303 1.125 0.000) 14.347 5.695 ( 2.633 -0.962 0.000) 2.803 5.695 ( 2.633 0.964 0.000) 2.804 6.334 ( -6.561 -1.582 0.000) 6.749 6.334 ( -6.561 1.585 0.000) 6.750 6.819 ( -11.914 -0.543 0.000) 11.926 6.819 ( -11.913 0.546 0.000) 11.926 7.088 ( 5.085 -0.609 0.000) 5.121 7.088 ( 5.085 0.612 0.000) 5.122 7.304 ( 2.741 -1.702 0.000) 3.227 7.304 ( 2.742 1.705 0.000) 3.229 7.490 ( 1.584 -0.334 0.000) 1.619 7.490 ( 1.584 0.335 0.000) 1.619 7.711 ( -5.484 -1.060 0.000) 5.586 7.711 ( -5.484 1.061 0.000) 5.586 8.165 ( 1.887 -2.420 0.000) 3.069 8.165 ( 1.889 2.424 0.000) 3.073 8.349 ( 1.712 -1.358 0.000) 2.185 8.349 ( 1.711 1.360 0.000) 2.186 8.604 ( -6.402 -0.541 0.000) 6.425 8.604 ( -6.402 0.544 0.000) 6.425 9.075 ( -16.819 -0.088 0.000) 16.819 9.075 ( -16.819 0.090 0.000) 16.819 9.390 ( 1.467 -0.628 0.000) 1.596 9.390 ( 1.466 0.631 0.000) 1.597 9.639 ( 1.623 -1.059 0.000) 1.938 9.639 ( 1.624 1.060 0.000) 1.939 9.821 ( 10.689 -2.113 0.000) 10.896 9.821 ( 10.688 2.115 0.000) 10.895 10.194 ( 0.078 -1.386 0.000) 1.388 10.194 ( 0.078 1.387 0.000) 1.390 12.114 ( 1.605 -0.064 0.000) 1.606 12.114 ( 1.605 0.064 0.000) 1.606 12.387 ( -1.026 -1.193 0.000) 1.573 12.387 ( -1.026 1.193 0.000) 1.574 13.554 ( 3.933 -0.906 0.000) 4.036 13.554 ( 3.933 0.907 0.000) 4.037 13.877 ( -2.356 -0.672 0.000) 2.450 13.877 ( -2.356 0.673 0.000) 2.450 15.107 ( 0.155 -0.724 0.000) 0.741 15.107 ( 0.155 0.724 0.000) 0.741 15.233 ( -2.461 -1.151 0.000) 2.717 15.233 ( -2.461 1.151 0.000) 2.717 15.494 ( 4.154 -0.690 0.000) 4.211 15.494 ( 4.154 0.690 0.000) 4.211 15.851 ( -4.853 -0.370 0.000) 4.867 15.851 ( -4.853 0.370 0.000) 4.867 17.661 ( 3.871 -0.175 0.000) 3.875 17.661 ( 3.871 0.175 0.000) 3.875 17.691 ( 2.201 -0.135 0.000) 2.205 17.691 ( 2.201 0.136 0.000) 2.205 18.123 ( -0.675 -1.089 0.000) 1.281 18.123 ( -0.675 1.090 0.000) 1.281 18.144 ( -1.378 -2.734 0.000) 3.062 18.144 ( -1.378 2.735 0.000) 3.062 18.312 ( 0.608 -0.862 0.000) 1.055 18.312 ( 0.608 0.862 0.000) 1.055 18.405 ( -1.466 -0.861 0.000) 1.700 18.405 ( -1.466 0.861 0.000) 1.700 18.579 ( 2.667 -1.253 0.000) 2.947 18.579 ( 2.667 1.254 0.000) 2.947 18.900 ( -4.708 -0.668 0.000) 4.755 18.900 ( -4.708 0.668 0.000) 4.755 19.497 ( 5.479 -0.071 0.000) 5.479 19.497 ( 5.479 0.071 0.000) 5.479 19.845 ( -3.295 -0.126 0.000) 3.297 19.845 ( -3.295 0.126 0.000) 3.297 ======================= Grid point 34 (21/63) ======================= q-point: ( 0.40 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.397 ( 2.157 -4.137 0.000) 4.666 1.397 ( 2.157 4.138 0.000) 4.667 1.658 ( 1.283 -0.597 0.000) 1.415 1.658 ( 1.283 0.598 0.000) 1.415 1.819 ( -4.113 -4.774 0.000) 6.302 1.819 ( -4.114 4.776 0.000) 6.303 1.930 ( -2.148 -0.725 0.000) 2.267 1.930 ( -2.148 0.726 0.000) 2.268 2.134 ( 0.073 -0.069 0.000) 0.100 2.134 ( 0.073 0.072 0.000) 0.102 2.276 ( 7.328 -0.025 0.000) 7.328 2.276 ( 7.328 0.026 0.000) 7.328 2.387 ( -1.015 -0.615 0.000) 1.187 2.387 ( -1.015 0.617 0.000) 1.188 2.619 ( -3.292 -5.480 0.000) 6.393 2.619 ( -3.291 5.482 0.000) 6.394 2.818 ( -3.221 -0.769 0.000) 3.312 2.818 ( -3.223 0.772 0.000) 3.314 2.931 ( -3.877 -0.477 0.000) 3.906 2.931 ( -3.877 0.479 0.000) 3.907 3.277 ( -0.855 -0.061 0.000) 0.858 3.277 ( -0.855 0.065 0.000) 0.858 3.459 ( -0.825 -0.651 0.000) 1.051 3.459 ( -0.825 0.656 0.000) 1.054 3.966 ( 4.848 -2.256 0.000) 5.347 3.966 ( 4.849 2.257 0.000) 5.348 4.104 ( -0.337 -0.050 0.000) 0.341 4.104 ( -0.337 0.051 0.000) 0.341 4.377 ( 5.466 -0.598 0.000) 5.499 4.377 ( 5.466 0.600 0.000) 5.499 4.449 ( -2.896 -2.262 0.000) 3.675 4.449 ( -2.896 2.265 0.000) 3.677 4.536 ( -0.262 -0.318 0.000) 0.412 4.536 ( -0.262 0.319 0.000) 0.413 4.800 ( 0.437 -1.752 0.000) 1.806 4.800 ( 0.437 1.754 0.000) 1.807 4.878 ( 16.955 -1.664 0.000) 17.036 4.878 ( 16.954 1.666 0.000) 17.036 5.196 ( -12.895 -0.979 0.000) 12.932 5.196 ( -12.895 0.980 0.000) 12.932 5.660 ( 3.920 -0.607 0.000) 3.967 5.660 ( 3.920 0.609 0.000) 3.967 5.775 ( 4.025 -0.466 0.000) 4.052 5.775 ( 4.025 0.468 0.000) 4.052 6.293 ( 3.733 -0.043 0.000) 3.733 6.293 ( 3.733 0.045 0.000) 3.733 6.559 ( -13.052 -0.050 0.000) 13.052 6.559 ( -13.052 0.052 0.000) 13.052 7.201 ( 5.805 -0.242 0.000) 5.810 7.202 ( 5.805 0.245 0.000) 5.810 7.292 ( -3.297 -0.710 0.000) 3.372 7.292 ( -3.297 0.713 0.000) 3.373 7.542 ( 3.334 -0.354 0.000) 3.352 7.542 ( 3.334 0.355 0.000) 3.352 7.612 ( -4.412 -0.124 0.000) 4.414 7.612 ( -4.412 0.125 0.000) 4.414 8.201 ( 2.971 -0.651 0.000) 3.042 8.201 ( 2.972 0.654 0.000) 3.043 8.305 ( -6.397 -0.365 0.000) 6.407 8.305 ( -6.397 0.367 0.000) 6.407 8.599 ( 7.001 -1.292 0.000) 7.119 8.599 ( 7.002 1.294 0.000) 7.120 8.793 ( -12.867 -0.665 0.000) 12.884 8.793 ( -12.867 0.667 0.000) 12.885 9.415 ( 0.851 -0.183 0.000) 0.870 9.415 ( 0.850 0.187 0.000) 0.871 9.634 ( -0.732 -0.892 0.000) 1.154 9.634 ( -0.733 0.896 0.000) 1.157 9.992 ( 5.701 -0.476 0.000) 5.721 9.992 ( 5.701 0.477 0.000) 5.721 10.187 ( -0.745 -1.040 0.000) 1.280 10.187 ( -0.746 1.041 0.000) 1.280 12.144 ( 1.111 -0.012 0.000) 1.111 12.144 ( 1.111 0.013 0.000) 1.111 12.367 ( -0.777 -0.145 0.000) 0.791 12.367 ( -0.777 0.146 0.000) 0.791 13.640 ( 3.998 -0.158 0.000) 4.001 13.640 ( 3.998 0.159 0.000) 4.001 13.820 ( -2.964 -0.103 0.000) 2.966 13.820 ( -2.964 0.103 0.000) 2.966 15.123 ( 1.761 -0.932 0.000) 1.993 15.123 ( 1.761 0.932 0.000) 1.993 15.176 ( -3.202 -1.028 0.000) 3.363 15.176 ( -3.202 1.028 0.000) 3.363 15.593 ( 5.674 -0.474 0.000) 5.693 15.593 ( 5.674 0.475 0.000) 5.693 15.741 ( -6.046 -0.308 0.000) 6.054 15.741 ( -6.046 0.308 0.000) 6.054 17.721 ( 1.883 -0.002 0.000) 1.883 17.721 ( 1.883 0.002 0.000) 1.883 17.739 ( 1.943 -0.005 0.000) 1.943 17.739 ( 1.943 0.005 0.000) 1.943 18.098 ( -1.092 -0.063 0.000) 1.094 18.098 ( -1.092 0.063 0.000) 1.094 18.133 ( -0.145 -0.056 0.000) 0.155 18.133 ( -0.145 0.057 0.000) 0.155 18.325 ( 0.648 -0.865 0.000) 1.081 18.325 ( 0.648 0.865 0.000) 1.081 18.377 ( -1.184 -0.518 0.000) 1.292 18.377 ( -1.184 0.518 0.000) 1.292 18.654 ( 5.161 -1.493 0.000) 5.372 18.654 ( 5.161 1.493 0.000) 5.372 18.787 ( -6.547 -1.137 0.000) 6.645 18.787 ( -6.547 1.137 0.000) 6.645 19.624 ( 7.384 -0.287 0.000) 7.390 19.624 ( 7.384 0.287 0.000) 7.390 19.755 ( -6.106 -0.217 0.000) 6.110 19.755 ( -6.106 0.217 0.000) 6.110 ======================= Grid point 65 (22/63) ======================= q-point: ( 0.00 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 42 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.284 ( 0.000 0.000 15.838) 15.838 0.449 ( 0.000 0.000 24.601) 24.601 0.845 ( 0.000 0.000 -13.461) 13.461 0.875 ( 0.000 0.000 46.118) 46.118 1.270 ( 0.000 0.000 -18.749) 18.749 1.431 ( 0.000 0.000 4.074) 4.074 1.454 ( 0.000 0.000 2.056) 2.056 1.650 ( 0.000 0.000 7.211) 7.211 1.704 ( 0.000 0.000 -1.055) 1.055 1.829 ( 0.000 0.000 1.206) 1.206 1.837 ( 0.000 0.000 0.186) 0.186 1.883 ( 0.000 0.000 -7.108) 7.108 1.925 ( 0.000 0.000 1.924) 1.924 2.091 ( 0.000 0.000 4.689) 4.689 2.158 ( 0.000 0.000 3.370) 3.370 2.236 ( 0.000 0.000 10.628) 10.628 2.500 ( 0.000 0.000 -19.695) 19.695 2.674 ( 0.000 0.000 -4.222) 4.222 2.715 ( 0.000 0.000 -17.984) 17.984 2.730 ( 0.000 0.000 -7.284) 7.284 3.242 ( 0.000 0.000 4.802) 4.802 3.273 ( 0.000 0.000 4.752) 4.752 3.503 ( 0.000 0.000 5.051) 5.051 3.535 ( 0.000 0.000 2.393) 2.393 3.666 ( 0.000 0.000 1.171) 1.171 3.699 ( 0.000 0.000 -2.534) 2.534 3.791 ( 0.000 0.000 -0.000) 0.000 3.817 ( 0.000 0.000 0.171) 0.171 3.890 ( 0.000 0.000 -0.901) 0.901 3.923 ( 0.000 0.000 -2.950) 2.950 4.217 ( 0.000 0.000 1.757) 1.757 4.336 ( 0.000 0.000 -3.376) 3.376 4.417 ( 0.000 0.000 0.576) 0.576 4.443 ( 0.000 0.000 -0.393) 0.393 4.660 ( 0.000 0.000 13.000) 13.000 4.694 ( 0.000 0.000 -0.053) 0.053 4.724 ( 0.000 0.000 -1.368) 1.368 5.141 ( 0.000 0.000 -8.501) 8.501 5.199 ( 0.000 0.000 1.184) 1.184 5.221 ( 0.000 0.000 1.147) 1.147 5.348 ( 0.000 0.000 0.565) 0.565 5.399 ( 0.000 0.000 -0.947) 0.947 5.568 ( 0.000 0.000 0.673) 0.673 5.588 ( 0.000 0.000 -0.330) 0.330 5.963 ( 0.000 0.000 0.682) 0.682 6.000 ( 0.000 0.000 -1.083) 1.083 6.145 ( 0.000 0.000 1.253) 1.253 6.157 ( 0.000 0.000 0.988) 0.988 6.430 ( 0.000 0.000 -0.278) 0.278 6.437 ( 0.000 0.000 -0.688) 0.688 7.236 ( 0.000 0.000 2.187) 2.187 7.373 ( 0.000 0.000 -4.030) 4.030 7.589 ( 0.000 0.000 -1.113) 1.113 7.608 ( 0.000 0.000 1.692) 1.692 7.657 ( 0.000 0.000 -4.405) 4.405 7.662 ( 0.000 0.000 -0.925) 0.925 7.971 ( 0.000 0.000 2.979) 2.979 7.981 ( 0.000 0.000 2.166) 2.166 8.011 ( 0.000 0.000 1.902) 1.902 8.107 ( 0.000 0.000 -2.010) 2.010 8.279 ( 0.000 0.000 8.354) 8.354 8.639 ( 0.000 0.000 -7.712) 7.712 8.819 ( 0.000 0.000 -0.171) 0.171 8.841 ( 0.000 0.000 -1.111) 1.111 9.016 ( 0.000 0.000 0.130) 0.130 9.022 ( 0.000 0.000 -0.160) 0.160 9.258 ( 0.000 0.000 1.029) 1.029 9.270 ( 0.000 0.000 0.478) 0.478 9.820 ( 0.000 0.000 -0.273) 0.273 9.826 ( 0.000 0.000 -0.560) 0.560 10.148 ( 0.000 0.000 4.504) 4.504 10.341 ( 0.000 0.000 -4.117) 4.117 12.090 ( 0.000 0.000 0.480) 0.480 12.105 ( 0.000 0.000 -0.178) 0.178 12.192 ( 0.000 0.000 5.540) 5.540 12.436 ( 0.000 0.000 -5.178) 5.178 13.291 ( 0.000 0.000 0.027) 0.027 13.297 ( 0.000 0.000 -0.213) 0.213 13.568 ( 0.000 0.000 2.970) 2.970 13.708 ( 0.000 0.000 -3.224) 3.224 15.080 ( 0.000 0.000 1.251) 1.251 15.093 ( 0.000 0.000 0.746) 0.746 15.131 ( 0.000 0.000 4.670) 4.670 15.337 ( 0.000 0.000 -4.340) 4.340 15.658 ( 0.000 0.000 -0.666) 0.666 15.699 ( 0.000 0.000 -2.426) 2.426 15.857 ( 0.000 0.000 0.568) 0.568 15.885 ( 0.000 0.000 -0.650) 0.650 17.667 ( 0.000 0.000 0.685) 0.685 17.697 ( 0.000 0.000 -0.685) 0.685 17.760 ( 0.000 0.000 0.562) 0.562 17.810 ( 0.000 0.000 -2.212) 2.212 18.183 ( 0.000 0.000 6.677) 6.677 18.209 ( 0.000 0.000 4.236) 4.236 18.361 ( 0.000 0.000 0.071) 0.071 18.418 ( 0.000 0.000 -5.265) 5.265 18.481 ( 0.000 0.000 -1.480) 1.480 18.541 ( 0.000 0.000 -2.384) 2.384 18.750 ( 0.000 0.000 1.680) 1.680 18.803 ( 0.000 0.000 -0.931) 0.931 19.011 ( 0.000 0.000 2.662) 2.662 19.053 ( 0.000 0.000 0.917) 0.917 19.090 ( 0.000 0.000 -0.651) 0.651 19.116 ( 0.000 0.000 -1.965) 1.965 19.840 ( 0.000 0.000 0.576) 0.576 19.868 ( 0.000 0.000 -0.682) 0.682 20.123 ( 0.000 0.000 0.096) 0.096 20.137 ( 0.000 0.000 -0.507) 0.507 ======================= Grid point 66 (23/63) ======================= q-point: ( 0.20 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.297 ( -1.369 0.000 21.904) 21.947 0.436 ( 12.560 0.000 10.439) 16.332 0.882 ( 3.291 0.000 -10.824) 11.313 1.082 ( 11.244 0.000 28.018) 30.190 1.221 ( -3.573 0.000 -16.010) 16.404 1.285 ( -6.567 0.000 4.326) 7.863 1.503 ( -2.489 0.000 -4.917) 5.511 1.602 ( -7.733 0.000 1.637) 7.905 1.688 ( -6.734 0.000 -1.216) 6.843 1.724 ( 0.569 0.000 7.352) 7.374 1.816 ( 2.466 0.000 1.827) 3.069 1.819 ( -3.856 0.000 1.181) 4.033 1.986 ( 4.824 0.000 5.701) 7.468 2.063 ( 0.829 0.000 -2.606) 2.735 2.180 ( -8.130 0.000 -8.034) 11.430 2.246 ( 0.829 0.000 8.489) 8.530 2.490 ( -5.267 0.000 -9.282) 10.672 2.527 ( 1.256 0.000 10.847) 10.919 2.856 ( 10.882 0.000 -23.890) 26.252 2.876 ( -3.948 0.000 10.933) 11.624 3.112 ( 3.533 0.000 -10.685) 11.254 3.314 ( -10.037 0.000 3.200) 10.535 3.403 ( 3.217 0.000 -3.650) 4.866 3.581 ( -4.688 0.000 -4.454) 6.467 3.744 ( 4.067 0.000 -0.589) 4.109 3.786 ( 5.859 0.000 -4.336) 7.289 3.876 ( -0.453 0.000 0.163) 0.481 3.938 ( 0.604 0.000 -2.070) 2.157 3.982 ( 15.254 0.000 2.554) 15.467 4.064 ( 21.858 0.000 -4.485) 22.314 4.182 ( -2.856 0.000 3.322) 4.381 4.368 ( 2.490 0.000 -3.610) 4.385 4.380 ( -3.719 0.000 3.840) 5.346 4.436 ( -0.491 0.000 -0.286) 0.568 4.596 ( -8.608 0.000 1.986) 8.835 4.605 ( -0.582 0.000 8.764) 8.783 4.670 ( -4.887 0.000 -2.054) 5.301 4.858 ( -12.939 0.000 6.487) 14.474 5.076 ( -5.825 0.000 3.092) 6.595 5.171 ( -5.057 0.000 -0.750) 5.112 5.519 ( 8.721 0.000 0.657) 8.746 5.555 ( 13.952 0.000 -1.443) 14.026 5.559 ( 6.092 0.000 2.265) 6.499 5.652 ( 2.735 0.000 0.020) 2.735 5.987 ( 0.164 0.000 -0.660) 0.680 6.001 ( 0.575 0.000 -0.737) 0.934 6.078 ( -3.789 0.000 1.108) 3.948 6.104 ( -4.907 0.000 0.063) 4.908 6.471 ( 5.374 0.000 1.306) 5.530 6.536 ( 5.394 0.000 -1.508) 5.601 7.096 ( -12.799 0.000 1.207) 12.856 7.196 ( -16.660 0.000 -2.842) 16.901 7.592 ( 0.399 0.000 -0.748) 0.847 7.603 ( -0.200 0.000 1.828) 1.839 7.667 ( 0.185 0.000 -1.111) 1.126 7.668 ( 1.012 0.000 -3.765) 3.899 7.903 ( -5.343 0.000 2.955) 6.106 7.951 ( -2.344 0.000 1.333) 2.696 8.025 ( 0.857 0.000 1.913) 2.096 8.100 ( -4.412 0.000 0.786) 4.481 8.449 ( 13.039 0.000 1.538) 13.130 8.617 ( 2.144 0.000 -0.714) 2.260 8.764 ( -3.631 0.000 1.282) 3.851 8.829 ( -2.228 0.000 -1.367) 2.614 8.977 ( -2.815 0.000 -0.325) 2.834 8.991 ( -3.211 0.000 -1.237) 3.441 9.170 ( -8.413 0.000 0.065) 8.413 9.186 ( -6.099 0.000 -0.610) 6.129 9.879 ( 9.211 0.000 3.492) 9.851 10.025 ( 12.695 0.000 -2.919) 13.027 10.166 ( 1.294 0.000 4.609) 4.787 10.361 ( 0.741 0.000 -3.561) 3.638 12.080 ( -0.164 0.000 1.190) 1.201 12.132 ( 2.048 0.000 -1.070) 2.311 12.201 ( -1.428 0.000 1.669) 2.197 12.378 ( -5.217 0.000 -4.365) 6.802 13.342 ( 5.262 0.000 0.124) 5.264 13.351 ( 5.043 0.000 -0.282) 5.051 13.564 ( -0.344 0.000 2.288) 2.314 13.682 ( -2.978 0.000 -2.575) 3.937 15.090 ( 1.300 0.000 1.309) 1.845 15.106 ( 1.261 0.000 0.770) 1.478 15.143 ( 0.472 0.000 3.559) 3.590 15.289 ( -3.028 0.000 -1.432) 3.349 15.653 ( -0.456 0.000 -0.619) 0.768 15.704 ( 0.620 0.000 -2.786) 2.854 15.793 ( -5.823 0.000 0.245) 5.828 15.834 ( -3.377 0.000 -2.159) 4.008 17.675 ( -0.502 0.000 0.501) 0.709 17.709 ( 0.947 0.000 -0.756) 1.212 17.742 ( -1.764 0.000 1.470) 2.296 17.817 ( 0.205 0.000 -2.163) 2.173 18.093 ( -6.003 0.000 6.753) 9.036 18.176 ( -0.735 0.000 5.696) 5.743 18.266 ( -3.225 0.000 -1.149) 3.424 18.355 ( -0.498 0.000 -0.785) 0.930 18.440 ( -3.022 0.000 -0.931) 3.162 18.522 ( -1.804 0.000 -2.857) 3.379 18.670 ( -3.485 0.000 8.799) 9.464 18.785 ( -6.168 0.000 1.427) 6.330 18.817 ( -4.818 0.000 5.648) 7.424 19.010 ( -1.682 0.000 4.646) 4.940 19.193 ( 6.830 0.000 -3.469) 7.660 19.237 ( 6.066 0.000 -10.525) 12.148 19.795 ( 8.083 0.000 9.065) 12.145 20.103 ( -2.087 0.000 0.435) 2.132 20.127 ( 3.495 0.000 -9.090) 9.739 20.129 ( -0.795 0.000 -0.679) 1.046 ======================= Grid point 67 (24/63) ======================= q-point: ( 0.40 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.518 ( 15.470 0.000 -1.205) 15.517 0.637 ( 5.103 0.000 4.243) 6.637 0.939 ( 3.310 0.000 -7.266) 7.985 1.054 ( -7.498 0.000 -14.428) 16.261 1.249 ( 3.118 0.000 -0.084) 3.119 1.250 ( 2.556 0.000 10.534) 10.840 1.381 ( -7.661 0.000 -4.261) 8.766 1.425 ( -10.175 0.000 0.078) 10.176 1.678 ( 3.373 0.000 1.650) 3.755 1.689 ( 0.139 0.000 4.201) 4.204 1.767 ( 0.054 0.000 -0.992) 0.994 1.892 ( -10.092 0.000 -7.501) 12.574 2.037 ( 9.830 0.000 1.674) 9.971 2.105 ( 5.995 0.000 6.685) 8.979 2.129 ( 3.510 0.000 -2.159) 4.121 2.261 ( 3.206 0.000 13.077) 13.465 2.301 ( -12.034 0.000 -1.994) 12.198 2.481 ( -13.085 0.000 22.243) 25.806 2.825 ( 7.576 0.000 10.753) 13.154 2.995 ( -4.211 0.000 -1.028) 4.335 3.200 ( 4.915 0.000 -14.735) 15.533 3.291 ( 10.196 0.000 -15.470) 18.528 3.362 ( -6.689 0.000 -15.173) 16.582 3.468 ( -7.642 0.000 -10.346) 12.862 3.836 ( 4.948 0.000 -0.092) 4.949 3.871 ( 3.293 0.000 -1.802) 3.754 3.881 ( 0.207 0.000 1.712) 1.724 3.924 ( -2.253 0.000 -1.255) 2.579 4.139 ( -1.107 0.000 6.665) 6.757 4.144 ( -0.057 0.000 6.693) 6.693 4.302 ( 6.469 0.000 6.523) 9.187 4.396 ( -1.396 0.000 -2.411) 2.786 4.410 ( 2.262 0.000 0.230) 2.274 4.445 ( -5.005 0.000 4.777) 6.919 4.478 ( 6.369 0.000 -4.037) 7.540 4.577 ( -4.732 0.000 -3.068) 5.640 4.724 ( 12.681 0.000 2.904) 13.009 4.832 ( 8.365 0.000 1.333) 8.470 4.952 ( -9.124 0.000 2.616) 9.491 5.035 ( -9.987 0.000 -0.207) 9.989 5.645 ( 3.956 0.000 1.117) 4.111 5.658 ( 2.647 0.000 0.287) 2.663 5.713 ( 3.425 0.000 -1.204) 3.631 5.735 ( 3.060 0.000 -3.118) 4.368 5.998 ( 1.478 0.000 0.306) 1.509 6.026 ( 2.197 0.000 -0.632) 2.286 6.031 ( -1.615 0.000 0.757) 1.783 6.052 ( -0.402 0.000 0.012) 0.403 6.591 ( 8.190 0.000 0.696) 8.219 6.624 ( 6.298 0.000 -0.824) 6.352 6.821 ( -14.823 0.000 0.261) 14.826 6.848 ( -17.587 0.000 -0.778) 17.604 7.602 ( 0.321 0.000 0.708) 0.777 7.602 ( 0.114 0.000 1.569) 1.573 7.673 ( 0.481 0.000 -1.457) 1.535 7.680 ( -0.030 0.000 -2.305) 2.305 7.855 ( 2.144 0.000 3.426) 4.041 7.951 ( 2.932 0.000 -0.788) 3.036 7.965 ( -7.346 0.000 2.883) 7.891 8.023 ( -3.225 0.000 0.233) 3.233 8.652 ( 7.700 0.000 0.310) 7.707 8.677 ( 3.109 0.000 -0.766) 3.201 8.710 ( -2.127 0.000 1.154) 2.420 8.767 ( -4.105 0.000 -1.086) 4.246 8.925 ( -0.371 0.000 1.091) 1.153 8.994 ( 3.362 0.000 -1.680) 3.758 9.001 ( -7.766 0.000 1.633) 7.936 9.084 ( -5.322 0.000 -2.193) 5.756 10.059 ( 8.223 0.000 4.360) 9.307 10.161 ( -2.537 0.000 4.522) 5.185 10.234 ( 8.764 0.000 -3.311) 9.368 10.344 ( -3.022 0.000 -3.242) 4.432 12.095 ( 1.895 0.000 1.673) 2.528 12.148 ( -3.402 0.000 1.709) 3.807 12.183 ( 3.584 0.000 -2.082) 4.145 12.270 ( -5.566 0.000 -3.206) 6.423 13.457 ( 5.609 0.000 0.124) 5.610 13.469 ( 7.433 0.000 -0.280) 7.438 13.539 ( -2.785 0.000 1.069) 2.983 13.598 ( -5.877 0.000 -1.282) 6.015 15.122 ( 1.437 0.000 1.476) 2.060 15.141 ( -0.621 0.000 2.642) 2.714 15.148 ( 3.616 0.000 0.609) 3.667 15.226 ( -4.026 0.000 -0.787) 4.102 15.649 ( 0.484 0.000 -0.364) 0.606 15.689 ( -4.118 0.000 0.048) 4.119 15.726 ( 1.842 0.000 -3.575) 4.021 15.773 ( -3.028 0.000 -3.824) 4.878 17.665 ( 0.512 0.000 1.977) 2.042 17.698 ( -2.532 0.000 2.467) 3.535 17.740 ( 2.645 0.000 -1.381) 2.984 17.796 ( -2.576 0.000 -1.962) 3.238 18.087 ( 3.137 0.000 5.269) 6.132 18.148 ( -2.531 0.000 4.947) 5.557 18.293 ( 3.641 0.000 -4.166) 5.533 18.344 ( -1.140 0.000 -2.967) 3.178 18.424 ( 2.203 0.000 -0.404) 2.239 18.501 ( 1.072 0.000 -2.545) 2.762 18.525 ( -8.021 0.000 0.715) 8.053 18.599 ( -8.757 0.000 -1.035) 8.818 18.897 ( 5.579 0.000 11.025) 12.356 18.975 ( -2.657 0.000 8.658) 9.056 19.300 ( 3.841 0.000 -6.245) 7.332 19.319 ( 1.988 0.000 -8.683) 8.907 19.947 ( 6.813 0.000 4.797) 8.333 20.046 ( -3.974 0.000 1.745) 4.340 20.116 ( -0.174 0.000 -1.380) 1.391 20.128 ( -1.222 0.000 -3.654) 3.853 ======================= Grid point 70 (25/63) ======================= q-point: ( 0.00 0.08 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.526 ( 0.000 7.918 19.608) 21.146 0.536 ( 0.000 15.858 12.132) 19.966 1.036 ( 0.000 15.188 -12.699) 19.797 1.047 ( 0.000 16.904 34.633) 38.538 1.305 ( 0.000 3.733 -17.071) 17.474 1.445 ( 0.000 1.445 2.498) 2.886 1.468 ( 0.000 1.974 1.742) 2.633 1.676 ( 0.000 4.568 3.415) 5.703 1.837 ( 0.000 3.498 -1.692) 3.886 1.874 ( 0.000 12.416 -1.181) 12.472 1.913 ( 0.000 -0.565 2.136) 2.210 1.948 ( 0.000 9.350 2.613) 9.708 2.056 ( 0.000 10.126 2.481) 10.426 2.111 ( 0.000 3.489 4.953) 6.058 2.203 ( 0.000 5.957 5.470) 8.088 2.337 ( 0.000 10.469 3.561) 11.058 2.491 ( 0.000 -0.621 -14.145) 14.158 2.633 ( 0.000 -1.311 -8.415) 8.516 2.764 ( 0.000 2.109 -7.942) 8.217 2.810 ( 0.000 6.456 -15.641) 16.921 3.205 ( 0.000 -3.372 4.454) 5.587 3.227 ( 0.000 -4.346 4.645) 6.361 3.411 ( 0.000 -5.502 3.458) 6.498 3.514 ( 0.000 -2.041 1.361) 2.453 3.643 ( 0.000 -2.425 -0.483) 2.473 3.674 ( 0.000 -2.948 -2.306) 3.742 3.810 ( 0.000 2.240 0.420) 2.279 3.828 ( 0.000 1.522 -0.724) 1.685 3.926 ( 0.000 3.001 1.279) 3.262 4.034 ( 0.000 2.832 -5.472) 6.161 4.268 ( 0.000 4.356 -2.774) 5.165 4.291 ( 0.000 -4.055 -1.822) 4.445 4.425 ( 0.000 -2.923 3.069) 4.238 4.469 ( 0.000 3.841 -2.509) 4.588 4.567 ( 0.000 0.002 6.080) 6.080 4.710 ( 0.000 0.822 -0.256) 0.861 4.884 ( 0.000 7.476 2.302) 7.823 4.986 ( 0.000 -6.321 6.103) 8.786 5.196 ( 0.000 -0.340 1.433) 1.473 5.285 ( 0.000 0.471 -1.726) 1.789 5.346 ( 0.000 -0.456 0.114) 0.470 5.391 ( 0.000 -0.763 -0.969) 1.233 5.487 ( 0.000 0.055 2.291) 2.292 5.590 ( 0.000 0.094 -1.396) 1.399 6.019 ( 0.000 5.466 1.680) 5.718 6.071 ( 0.000 6.731 -0.866) 6.786 6.185 ( 0.000 2.722 0.720) 2.816 6.295 ( 0.000 5.656 -6.831) 8.869 6.558 ( 0.000 10.459 -0.335) 10.465 6.605 ( 0.000 10.635 -4.947) 11.730 7.232 ( 0.000 -0.351 2.007) 2.037 7.358 ( 0.000 -1.347 -3.638) 3.879 7.612 ( 0.000 2.511 -0.363) 2.537 7.621 ( 0.000 1.708 1.728) 2.430 7.679 ( 0.000 1.571 -3.306) 3.660 7.708 ( 0.000 4.121 -2.070) 4.611 7.961 ( 0.000 -1.131 2.884) 3.098 7.962 ( 0.000 -1.697 2.379) 2.922 8.034 ( 0.000 2.294 1.250) 2.612 8.111 ( 0.000 0.597 -1.686) 1.788 8.259 ( 0.000 -1.561 6.442) 6.629 8.455 ( 0.000 -5.169 -0.878) 5.243 8.907 ( 0.000 7.821 2.398) 8.180 9.031 ( 0.000 2.405 -0.147) 2.410 9.047 ( 0.000 2.322 0.057) 2.323 9.243 ( 0.000 4.930 -4.827) 6.900 9.264 ( 0.000 0.592 0.883) 1.063 9.359 ( 0.000 15.793 -20.357) 25.764 9.815 ( 0.000 -1.148 -0.313) 1.189 9.833 ( 0.000 1.150 -2.753) 2.984 10.141 ( 0.000 -0.573 4.259) 4.297 10.326 ( 0.000 -1.434 -3.920) 4.174 12.092 ( 0.000 0.071 0.414) 0.420 12.105 ( 0.000 -0.063 0.014) 0.065 12.200 ( 0.000 0.833 5.089) 5.157 12.430 ( 0.000 -0.335 -4.743) 4.755 13.311 ( 0.000 1.838 0.594) 1.932 13.417 ( 0.000 7.572 -8.861) 11.656 13.580 ( 0.000 1.307 2.855) 3.140 13.718 ( 0.000 1.046 -3.189) 3.356 15.079 ( 0.000 -0.055 1.305) 1.306 15.093 ( 0.000 0.061 0.700) 0.703 15.141 ( 0.000 0.852 4.283) 4.367 15.312 ( 0.000 -1.581 -2.118) 2.643 15.652 ( 0.000 -0.781 -1.293) 1.511 15.681 ( 0.000 -1.684 -2.216) 2.783 15.855 ( 0.000 -0.104 0.440) 0.453 15.878 ( 0.000 -0.333 -0.628) 0.711 17.661 ( 0.000 -0.509 0.635) 0.814 17.690 ( 0.000 -0.695 -0.635) 0.941 17.758 ( 0.000 -0.151 0.522) 0.543 17.805 ( 0.000 -0.515 -2.031) 2.096 18.179 ( 0.000 -0.381 6.361) 6.372 18.210 ( 0.000 -0.043 4.899) 4.900 18.357 ( 0.000 -0.446 -0.086) 0.454 18.417 ( 0.000 -0.126 -4.939) 4.941 18.463 ( 0.000 -1.857 -0.613) 1.956 18.523 ( 0.000 -1.740 -2.139) 2.758 18.628 ( 0.000 -20.981 20.794) 29.539 18.725 ( 0.000 -2.583 1.394) 2.936 18.825 ( 0.000 -4.751 2.662) 5.446 18.930 ( 0.000 -6.167 -0.134) 6.168 19.098 ( 0.000 -0.210 0.237) 0.316 19.114 ( 0.000 -1.497 0.028) 1.497 19.626 ( 0.000 -8.502 9.553) 12.788 19.784 ( 0.000 -4.916 -0.880) 4.994 20.104 ( 0.000 -1.924 0.180) 1.932 20.118 ( 0.000 -1.885 -0.450) 1.938 ======================= Grid point 71 (26/63) ======================= q-point: ( 0.20 0.08 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.409 ( -1.323 10.799 14.430) 18.072 0.667 ( 9.832 16.585 7.448) 20.669 1.037 ( 0.369 12.070 -6.950) 13.933 1.152 ( -0.026 5.341 2.110) 5.743 1.257 ( 1.003 6.659 3.383) 7.536 1.354 ( -3.103 5.969 4.073) 7.865 1.535 ( -0.967 2.496 -4.724) 5.430 1.674 ( -4.479 5.774 1.960) 7.566 1.722 ( -7.055 3.023 2.067) 7.949 1.758 ( -1.398 5.311 6.235) 8.309 1.838 ( -5.928 5.045 0.654) 7.811 1.969 ( -0.244 9.438 0.633) 9.462 2.102 ( 5.891 10.125 3.827) 12.323 2.154 ( -0.378 5.709 -1.645) 5.953 2.253 ( -5.354 8.510 -2.531) 10.368 2.296 ( 1.501 5.054 3.686) 6.433 2.480 ( -1.457 1.030 -1.912) 2.616 2.546 ( -1.909 1.957 3.011) 4.067 2.838 ( 7.758 -0.211 -13.557) 15.621 2.924 ( -1.728 3.217 2.013) 4.170 3.088 ( 2.934 -2.686 -10.890) 11.594 3.271 ( -9.481 -3.632 2.579) 10.476 3.359 ( 4.516 -3.596 -2.142) 6.157 3.535 ( -4.916 -4.430 -6.379) 9.191 3.731 ( 8.005 -2.489 -0.147) 8.384 3.756 ( 5.527 -0.205 0.012) 5.531 3.899 ( 2.821 0.704 -1.021) 3.081 3.932 ( 11.180 -0.180 -0.487) 11.192 3.981 ( 7.970 1.188 2.529) 8.446 4.079 ( 5.906 0.863 -1.103) 6.070 4.237 ( -1.004 2.052 2.201) 3.172 4.349 ( 4.061 0.266 -2.661) 4.862 4.392 ( -1.521 -0.245 2.629) 3.047 4.453 ( -3.063 2.370 -2.655) 4.696 4.571 ( 1.437 0.424 3.527) 3.832 4.656 ( -5.969 2.375 1.011) 6.503 4.718 ( -7.667 2.169 2.681) 8.407 4.844 ( -10.801 -0.479 3.315) 11.309 5.096 ( -5.015 1.875 3.801) 6.566 5.211 ( -5.682 2.962 -0.858) 6.465 5.508 ( 7.083 -0.039 0.282) 7.089 5.543 ( 11.082 -0.676 -0.820) 11.133 5.580 ( 10.600 1.148 0.517) 10.674 5.646 ( 4.865 -0.343 -0.842) 4.949 6.034 ( -1.705 3.138 0.849) 3.671 6.046 ( 0.603 6.154 1.152) 6.290 6.135 ( -3.518 4.654 -0.719) 5.878 6.212 ( -5.892 7.915 -4.284) 10.757 6.544 ( 2.123 6.475 2.712) 7.334 6.639 ( 2.038 9.051 -2.170) 9.528 7.095 ( -12.660 -0.054 1.123) 12.710 7.187 ( -16.032 -0.742 -2.675) 16.270 7.603 ( -0.556 1.158 0.111) 1.290 7.622 ( -0.140 1.761 1.500) 2.317 7.672 ( 0.006 1.749 -2.505) 3.055 7.726 ( 0.450 3.863 -1.961) 4.355 7.894 ( -4.411 -0.867 2.407) 5.099 7.938 ( -2.176 -0.991 1.359) 2.750 8.044 ( 0.613 1.973 1.438) 2.517 8.090 ( -3.835 -0.430 0.480) 3.889 8.391 ( 11.131 -3.718 4.107) 12.433 8.545 ( 7.732 -2.586 -2.463) 8.517 8.854 ( -5.017 5.943 2.550) 8.185 8.992 ( -4.555 3.240 0.135) 5.592 9.008 ( -3.260 1.816 -0.971) 3.856 9.034 ( -11.336 8.432 -3.715) 14.608 9.187 ( -7.759 1.099 0.097) 7.837 9.253 ( -7.096 8.740 -5.385) 12.480 9.878 ( 9.195 -0.194 3.266) 9.760 10.023 ( 12.405 -0.323 -3.162) 12.806 10.162 ( 1.395 -0.432 4.323) 4.563 10.346 ( 0.904 -1.429 -3.392) 3.790 12.081 ( -0.150 0.127 1.052) 1.070 12.133 ( 2.092 0.075 -0.897) 2.278 12.201 ( -1.217 0.163 2.604) 2.879 12.378 ( -4.830 0.110 -4.242) 6.430 13.362 ( 5.103 1.675 0.436) 5.389 13.416 ( 1.963 5.314 -2.782) 6.311 13.580 ( -0.246 1.498 2.104) 2.595 13.694 ( -2.816 1.138 -2.558) 3.971 15.091 ( 1.348 0.099 1.202) 1.808 15.106 ( 1.287 0.030 0.763) 1.497 15.148 ( 0.278 0.507 3.453) 3.501 15.282 ( -2.371 -0.509 -1.439) 2.820 15.642 ( -0.664 -1.034 -0.640) 1.385 15.689 ( 0.720 -1.423 -2.539) 2.999 15.795 ( -5.504 0.185 0.181) 5.510 15.836 ( -3.270 0.181 -2.153) 3.919 17.673 ( 0.013 -0.162 0.463) 0.490 17.702 ( 1.036 -0.529 -0.574) 1.296 17.744 ( -1.307 0.117 1.218) 1.790 17.815 ( 0.365 -0.262 -2.206) 2.251 18.092 ( -5.852 -0.073 6.791) 8.965 18.173 ( -0.895 -0.343 5.606) 5.688 18.249 ( -2.980 -1.459 0.150) 3.321 18.347 ( -0.880 -0.825 -0.850) 1.475 18.432 ( -2.442 -0.806 -0.539) 2.627 18.509 ( -1.721 -1.358 -2.487) 3.315 18.614 ( -1.814 -4.978 6.680) 8.526 18.741 ( -6.178 -4.210 1.641) 7.654 18.788 ( -0.478 -2.208 4.437) 4.979 18.992 ( -0.696 -2.010 3.656) 4.230 19.129 ( 8.247 -4.739 -4.653) 10.589 19.218 ( 5.719 -2.241 -6.071) 8.637 19.742 ( 9.730 -4.434 6.916) 12.734 19.957 ( 8.684 -11.760 -3.848) 15.117 20.083 ( -2.135 -2.035 0.398) 2.976 20.106 ( -1.132 -2.318 -0.652) 2.661 ======================= Grid point 72 (27/63) ======================= q-point: ( 0.40 0.08 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.579 ( 15.286 6.944 1.590) 16.864 0.802 ( -2.497 12.588 1.619) 12.935 1.028 ( 0.475 5.882 -8.047) 9.978 1.103 ( 0.025 5.223 -10.609) 11.825 1.264 ( 3.056 5.300 3.684) 7.141 1.368 ( 1.361 6.550 3.054) 7.354 1.418 ( -10.233 4.244 -2.579) 11.375 1.472 ( -9.320 5.628 0.341) 10.893 1.726 ( 3.355 3.156 4.023) 6.116 1.773 ( 0.378 6.775 0.275) 6.792 1.824 ( -0.504 6.332 0.686) 6.388 1.923 ( -5.313 3.475 -3.550) 7.274 2.056 ( 2.888 4.374 4.236) 6.739 2.191 ( -1.492 6.626 1.017) 6.867 2.275 ( 7.693 9.947 4.666) 13.412 2.310 ( -1.215 6.499 5.118) 8.361 2.398 ( -2.795 10.130 -0.619) 10.527 2.538 ( -7.279 5.290 16.611) 18.891 2.801 ( 3.442 -1.938 9.872) 10.633 2.972 ( -5.242 -2.100 2.383) 6.129 3.167 ( 5.860 -3.150 -14.584) 16.030 3.250 ( 8.089 -3.570 -14.820) 17.257 3.348 ( -5.279 -1.995 -13.235) 14.388 3.424 ( -6.594 -3.361 -9.810) 12.289 3.830 ( 4.332 -0.534 0.107) 4.366 3.867 ( 5.787 1.176 0.076) 5.905 3.940 ( -0.578 3.925 1.985) 4.436 3.991 ( -0.833 3.982 -0.384) 4.086 4.097 ( 1.860 -1.640 4.621) 5.245 4.168 ( -0.733 0.906 4.509) 4.657 4.308 ( 5.846 0.361 5.129) 7.785 4.345 ( -3.623 -2.418 -1.774) 4.704 4.407 ( 2.201 -0.232 0.961) 2.413 4.460 ( 4.836 1.488 0.490) 5.084 4.532 ( -3.054 3.206 -0.681) 4.480 4.586 ( -5.956 0.490 -1.811) 6.245 4.732 ( 11.686 0.691 2.418) 11.954 4.833 ( 9.325 0.595 -0.058) 9.345 4.972 ( -9.413 1.716 3.243) 10.103 5.063 ( -10.517 2.497 -0.308) 10.814 5.627 ( 5.340 -0.623 0.588) 5.408 5.665 ( 2.844 0.385 -0.727) 2.961 5.713 ( 1.815 0.237 -1.407) 2.309 5.730 ( 1.073 -0.371 -2.464) 2.713 6.030 ( 2.656 3.823 2.396) 5.236 6.066 ( -0.285 4.396 2.727) 5.182 6.118 ( 3.293 7.343 -1.780) 8.242 6.173 ( -0.160 8.899 -2.073) 9.138 6.619 ( 6.456 2.832 1.105) 7.136 6.668 ( 3.195 4.401 -1.083) 5.545 6.826 ( -14.169 0.634 0.294) 14.187 6.854 ( -16.524 0.800 -0.884) 16.567 7.601 ( 0.464 0.137 1.366) 1.449 7.617 ( -0.636 0.985 1.792) 2.142 7.678 ( 0.745 1.351 -1.844) 2.405 7.716 ( -1.265 2.284 -1.511) 3.017 7.862 ( 2.181 0.390 2.505) 3.345 7.936 ( 0.217 -0.073 0.640) 0.679 7.986 ( -3.593 0.985 0.654) 3.783 8.032 ( -3.065 1.198 -0.424) 3.318 8.588 ( 8.958 -3.254 2.088) 9.757 8.674 ( 4.604 0.083 -1.205) 4.760 8.764 ( -3.933 2.007 0.884) 4.504 8.810 ( -8.509 2.513 -1.213) 8.955 8.955 ( 0.255 3.070 0.766) 3.174 9.017 ( 1.099 3.405 -1.246) 3.788 9.050 ( -5.127 3.338 0.363) 6.128 9.136 ( -4.890 5.707 -1.924) 7.758 10.057 ( 8.153 -0.247 4.168) 9.160 10.158 ( -2.477 -0.340 4.271) 4.949 10.227 ( 8.512 -0.761 -3.254) 9.145 10.333 ( -2.820 -1.112 -3.134) 4.360 12.094 ( 1.370 -0.087 1.360) 1.932 12.153 ( -2.288 0.510 2.279) 3.269 12.187 ( 3.021 0.444 -2.224) 3.778 12.277 ( -5.150 0.692 -2.930) 5.966 13.476 ( 5.683 1.425 0.172) 5.862 13.496 ( 6.017 2.686 -0.596) 6.616 13.556 ( -2.519 1.683 0.979) 3.184 13.614 ( -5.574 1.538 -1.319) 5.930 15.120 ( 1.276 -0.152 1.482) 1.962 15.141 ( 0.024 0.063 2.292) 2.293 15.152 ( 2.915 0.409 0.681) 3.022 15.226 ( -3.781 -0.004 -0.907) 3.888 15.638 ( 0.372 -1.049 -0.295) 1.152 15.684 ( -3.021 -0.443 0.190) 3.059 15.722 ( 0.813 -0.343 -3.381) 3.495 15.775 ( -2.929 0.092 -3.473) 4.544 17.670 ( 0.489 0.441 1.763) 1.882 17.701 ( -1.861 0.288 2.265) 2.945 17.743 ( 2.348 0.237 -1.310) 2.699 17.797 ( -2.377 0.022 -1.959) 3.081 18.083 ( 2.776 -0.363 4.929) 5.668 18.145 ( -2.360 -0.368 4.993) 5.535 18.269 ( 2.942 -2.099 -3.483) 5.019 18.331 ( -1.017 -1.363 -2.122) 2.720 18.420 ( 1.710 -0.405 -0.790) 1.927 18.486 ( -0.061 -1.560 -1.617) 2.247 18.508 ( -5.578 -1.462 -0.363) 5.778 18.580 ( -7.594 -1.817 -1.169) 7.896 18.878 ( 5.554 -1.854 10.175) 11.739 18.958 ( -2.794 -1.644 8.176) 8.795 19.255 ( 4.491 -4.121 -6.485) 8.900 19.289 ( 1.203 -3.145 -7.483) 8.205 19.911 ( 7.443 -3.273 3.727) 8.945 20.017 ( -3.400 -3.154 1.066) 4.759 20.048 ( 1.195 -6.308 -2.031) 6.734 20.078 ( -1.708 -3.811 -1.254) 4.360 ======================= Grid point 75 (28/63) ======================= q-point: ( 0.00 0.17 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.756 ( 0.000 13.912 11.421) 18.000 0.842 ( 0.000 14.945 9.798) 17.871 1.331 ( 0.000 12.305 -10.617) 16.252 1.334 ( 0.000 4.849 -10.707) 11.754 1.491 ( 0.000 8.656 4.629) 9.816 1.539 ( 0.000 4.735 -0.472) 4.758 1.565 ( 0.000 19.137 13.044) 23.160 1.783 ( 0.000 3.704 -1.845) 4.138 1.849 ( 0.000 -4.199 2.052) 4.674 1.952 ( 0.000 6.018 2.546) 6.535 2.035 ( 0.000 1.923 0.994) 2.165 2.146 ( 0.000 11.016 5.156) 12.163 2.239 ( 0.000 8.636 10.286) 13.431 2.354 ( 0.000 17.218 2.520) 17.401 2.442 ( 0.000 16.021 -2.141) 16.164 2.504 ( 0.000 3.914 -4.614) 6.050 2.620 ( 0.000 15.432 0.064) 15.433 2.658 ( 0.000 4.147 -8.343) 9.317 2.809 ( 0.000 2.582 -7.316) 7.758 2.926 ( 0.000 3.415 -10.145) 10.704 3.118 ( 0.000 -5.923 1.865) 6.210 3.133 ( 0.000 -2.300 -1.773) 2.904 3.294 ( 0.000 -6.008 3.453) 6.930 3.461 ( 0.000 -2.651 -2.519) 3.657 3.583 ( 0.000 -5.569 -0.954) 5.650 3.584 ( 0.000 -2.557 -3.146) 4.055 3.868 ( 0.000 2.958 0.769) 3.056 3.873 ( 0.000 2.502 0.284) 2.518 3.979 ( 0.000 1.235 1.413) 1.876 4.032 ( 0.000 -1.766 -2.448) 3.018 4.218 ( 0.000 -1.494 5.310) 5.516 4.361 ( 0.000 4.501 -2.260) 5.037 4.372 ( 0.000 -1.793 5.422) 5.711 4.537 ( 0.000 2.664 -4.120) 4.906 4.621 ( 0.000 3.680 2.012) 4.195 4.706 ( 0.000 -0.797 -1.057) 1.324 4.934 ( 0.000 0.158 7.066) 7.068 4.993 ( 0.000 3.490 0.904) 3.605 5.186 ( 0.000 -0.590 1.863) 1.955 5.265 ( 0.000 -1.465 0.095) 1.468 5.334 ( 0.000 -0.472 -0.777) 0.909 5.371 ( 0.000 -1.118 -1.152) 1.605 5.547 ( 0.000 4.092 -0.867) 4.183 5.593 ( 0.000 0.340 -1.746) 1.778 6.152 ( 0.000 6.068 4.524) 7.569 6.247 ( 0.000 9.468 -0.879) 9.509 6.287 ( 0.000 8.371 -1.291) 8.470 6.408 ( 0.000 6.491 -6.902) 9.475 6.762 ( 0.000 5.766 0.407) 5.780 6.779 ( 0.000 9.690 -0.636) 9.711 7.224 ( 0.000 -0.452 1.495) 1.562 7.324 ( 0.000 -1.865 -2.811) 3.373 7.661 ( 0.000 1.781 2.705) 3.238 7.691 ( 0.000 4.481 -0.224) 4.486 7.720 ( 0.000 2.299 -1.744) 2.885 7.797 ( 0.000 3.461 -3.244) 4.744 7.929 ( 0.000 -1.756 3.800) 4.186 7.933 ( 0.000 0.112 2.499) 2.502 8.112 ( 0.000 5.493 -0.011) 5.493 8.139 ( 0.000 2.098 0.139) 2.103 8.236 ( 0.000 0.143 2.938) 2.941 8.392 ( 0.000 -1.941 -3.401) 3.916 9.076 ( 0.000 6.198 1.751) 6.440 9.091 ( 0.000 3.392 0.061) 3.392 9.126 ( 0.000 7.030 4.065) 8.121 9.280 ( 0.000 1.445 0.064) 1.447 9.286 ( 0.000 1.684 0.458) 1.745 9.570 ( 0.000 4.821 -13.182) 14.036 9.780 ( 0.000 -2.297 0.374) 2.327 9.856 ( 0.000 0.775 -6.303) 6.351 10.128 ( 0.000 -0.636 3.279) 3.340 10.289 ( 0.000 -2.104 -3.454) 4.044 12.092 ( 0.000 -0.083 0.640) 0.646 12.104 ( 0.000 0.058 0.244) 0.250 12.224 ( 0.000 1.443 4.155) 4.399 12.425 ( 0.000 -0.127 -4.443) 4.444 13.360 ( 0.000 2.777 1.619) 3.214 13.521 ( 0.000 2.678 -6.814) 7.321 13.626 ( 0.000 3.293 1.213) 3.509 13.750 ( 0.000 2.001 -3.075) 3.669 15.080 ( 0.000 0.213 1.173) 1.192 15.095 ( 0.000 0.126 0.614) 0.627 15.163 ( 0.000 1.224 3.556) 3.761 15.290 ( 0.000 -0.629 -1.551) 1.674 15.623 ( 0.000 -2.013 -1.235) 2.361 15.634 ( 0.000 -2.806 -1.689) 3.276 15.856 ( 0.000 0.184 0.295) 0.348 15.878 ( 0.000 0.268 -1.052) 1.086 17.648 ( 0.000 -0.732 0.539) 0.909 17.672 ( 0.000 -0.963 -0.544) 1.106 17.752 ( 0.000 -0.479 0.431) 0.644 17.788 ( 0.000 -1.097 -1.540) 1.891 18.168 ( 0.000 -0.715 5.428) 5.475 18.182 ( 0.000 -3.461 11.117) 11.643 18.325 ( 0.000 -3.238 6.339) 7.118 18.357 ( 0.000 -3.198 4.591) 5.595 18.410 ( 0.000 -0.714 -3.985) 4.049 18.429 ( 0.000 -2.324 0.466) 2.370 18.474 ( 0.000 -2.904 -1.833) 3.434 18.642 ( 0.000 -5.306 -0.602) 5.340 18.754 ( 0.000 -3.492 0.321) 3.507 18.807 ( 0.000 -5.429 -2.000) 5.786 19.069 ( 0.000 -2.644 0.339) 2.665 19.075 ( 0.000 -1.871 0.012) 1.871 19.532 ( 0.000 -2.636 3.912) 4.717 19.669 ( 0.000 -5.794 -2.043) 6.143 20.051 ( 0.000 -3.102 0.199) 3.108 20.065 ( 0.000 -3.179 -0.389) 3.203 ======================= Grid point 76 (29/63) ======================= q-point: ( 0.20 0.17 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.695 ( -1.280 16.181 6.775) 17.588 0.966 ( 9.363 12.655 9.196) 18.232 1.220 ( -7.684 4.422 -12.152) 15.042 1.295 ( -3.979 10.782 -7.074) 13.495 1.472 ( -3.540 8.145 1.241) 8.967 1.523 ( -0.889 10.263 6.947) 12.425 1.622 ( 1.251 7.233 0.512) 7.358 1.746 ( -6.791 0.670 4.204) 8.015 1.815 ( 0.380 6.598 0.679) 6.644 1.925 ( -1.135 9.267 3.965) 10.143 1.970 ( -1.477 7.265 3.719) 8.294 2.170 ( -4.423 7.659 -2.265) 9.130 2.264 ( -1.433 9.400 0.406) 9.518 2.342 ( -3.373 7.909 2.309) 8.903 2.408 ( 4.433 6.652 7.595) 11.027 2.454 ( -1.229 12.904 1.421) 13.040 2.633 ( -1.658 8.210 -6.063) 10.340 2.665 ( 3.070 14.524 -1.919) 14.969 2.853 ( 3.939 1.587 -8.146) 9.186 2.955 ( -1.273 -3.503 -0.459) 3.755 3.031 ( 0.362 0.229 -5.637) 5.653 3.191 ( -7.417 -3.587 3.506) 8.954 3.283 ( 5.603 -3.566 -4.578) 8.066 3.425 ( -4.435 -5.576 -6.149) 9.411 3.675 ( 11.531 -2.825 2.116) 12.059 3.737 ( 7.829 -1.815 -0.780) 8.074 3.906 ( 1.605 -0.190 -2.688) 3.136 3.928 ( 9.614 0.458 -2.369) 9.912 4.030 ( 5.070 2.582 2.723) 6.308 4.092 ( 4.637 0.504 1.008) 4.772 4.250 ( 3.429 0.819 7.248) 8.060 4.375 ( 2.595 1.011 0.120) 2.788 4.411 ( 2.800 2.641 0.866) 3.946 4.503 ( -5.805 2.175 -4.194) 7.485 4.604 ( -0.604 2.329 1.918) 3.077 4.677 ( -2.495 0.202 1.302) 2.822 4.751 ( -8.726 1.381 3.096) 9.361 4.842 ( -9.973 -0.057 -1.215) 10.047 5.145 ( -3.371 2.761 4.068) 5.961 5.266 ( -4.112 2.199 -1.423) 4.876 5.517 ( 10.146 -0.212 -0.250) 10.151 5.531 ( 10.181 0.029 -0.210) 10.183 5.607 ( 9.019 1.660 -0.883) 9.213 5.640 ( 5.432 -0.145 -1.238) 5.573 6.105 ( -3.946 3.722 2.762) 6.087 6.214 ( -3.285 7.355 1.967) 8.292 6.254 ( -2.162 8.545 -3.247) 9.394 6.391 ( -0.892 10.294 -5.206) 11.570 6.691 ( -0.956 7.150 4.621) 8.566 6.838 ( 0.055 9.141 -2.985) 9.616 7.096 ( -11.816 0.338 1.091) 11.871 7.174 ( -13.948 -0.255 -2.260) 14.133 7.629 ( -2.612 0.900 1.375) 3.086 7.664 ( -1.436 1.984 1.118) 2.693 7.732 ( -0.353 3.807 -1.298) 4.037 7.796 ( -0.788 2.095 -1.136) 2.510 7.870 ( -3.092 -0.831 2.207) 3.889 7.934 ( -0.157 1.039 0.191) 1.068 8.104 ( -2.431 3.032 -0.035) 3.887 8.112 ( -1.794 3.932 0.159) 4.325 8.339 ( 9.852 -1.249 3.922) 10.677 8.507 ( 9.349 -1.473 -3.820) 10.207 8.967 ( -9.352 4.069 2.824) 10.583 9.025 ( -8.157 0.748 -0.593) 8.213 9.079 ( -4.354 5.136 1.248) 6.848 9.160 ( -5.355 5.550 -0.432) 7.725 9.227 ( -5.700 3.220 1.138) 6.645 9.459 ( -9.691 8.731 -9.215) 15.970 9.868 ( 9.421 -0.793 2.739) 9.843 10.009 ( 11.701 -1.037 -3.461) 12.246 10.150 ( 1.477 -0.702 3.562) 3.920 10.309 ( 1.184 -2.079 -3.023) 3.855 12.084 ( -0.004 0.153 0.883) 0.896 12.134 ( 2.232 0.070 -0.291) 2.252 12.215 ( -1.133 1.200 2.961) 3.390 12.383 ( -4.080 0.332 -3.909) 5.660 13.406 ( 4.679 2.540 1.283) 5.477 13.513 ( 0.530 3.634 -3.600) 5.143 13.626 ( -0.281 3.079 1.166) 3.305 13.727 ( -2.476 2.106 -2.502) 4.101 15.093 ( 1.193 0.097 0.998) 1.558 15.108 ( 1.498 0.225 0.668) 1.655 15.162 ( -0.255 0.808 3.039) 3.155 15.273 ( -1.749 -0.410 -1.536) 2.364 15.611 ( -0.575 -2.020 -0.452) 2.148 15.651 ( 1.334 -2.127 -2.088) 3.266 15.801 ( -5.124 0.393 0.217) 5.143 15.841 ( -3.322 0.315 -1.926) 3.853 17.669 ( 1.191 -0.238 0.362) 1.267 17.691 ( 1.629 -0.577 -0.420) 1.778 17.744 ( -0.579 -0.194 0.921) 1.105 17.804 ( 0.817 -0.863 -2.041) 2.361 18.089 ( -4.671 -0.334 7.125) 8.526 18.158 ( -1.153 -1.073 4.866) 5.114 18.220 ( -3.013 -1.129 1.900) 3.736 18.317 ( -1.643 -2.207 -1.125) 2.973 18.410 ( -0.957 -1.176 0.178) 1.527 18.465 ( -1.400 -2.931 -0.922) 3.377 18.516 ( 1.155 -3.783 0.652) 4.008 18.637 ( -4.059 -5.481 -0.367) 6.830 18.737 ( 1.856 -2.762 4.073) 5.259 18.923 ( 4.735 -4.597 -0.136) 6.601 19.042 ( 3.071 -3.662 -0.906) 4.865 19.149 ( 4.025 -4.289 -3.438) 6.813 19.650 ( 9.906 -4.145 3.123) 11.183 19.752 ( 7.284 -8.141 -1.543) 11.033 20.027 ( -2.510 -3.264 0.286) 4.127 20.044 ( -2.195 -3.637 -0.416) 4.269 ======================= Grid point 77 (30/63) ======================= q-point: ( 0.40 0.17 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.778 ( 9.916 11.649 1.590) 15.380 1.057 ( -11.532 11.961 3.881) 17.062 1.123 ( -1.746 4.374 -12.301) 13.172 1.232 ( 10.339 7.011 3.802) 13.058 1.433 ( -3.226 7.299 0.272) 7.984 1.497 ( -2.006 7.509 -0.717) 7.805 1.547 ( -6.999 8.158 -1.540) 10.859 1.624 ( -3.988 7.266 1.804) 8.482 1.809 ( 2.361 5.610 1.765) 6.337 1.910 ( -3.532 6.161 0.281) 7.107 1.993 ( -4.228 9.170 -2.806) 10.481 2.045 ( 0.236 7.209 -4.331) 8.413 2.192 ( 1.327 10.054 6.954) 12.297 2.381 ( -1.197 10.714 6.543) 12.611 2.470 ( 3.740 12.287 6.874) 14.567 2.516 ( 5.597 7.402 3.413) 9.888 2.620 ( -0.293 8.574 -5.322) 10.096 2.698 ( -0.200 10.923 3.759) 11.553 2.780 ( -5.592 1.045 5.650) 8.018 2.938 ( -5.599 0.324 7.730) 9.550 3.075 ( 6.668 -5.141 -9.972) 13.051 3.184 ( 4.969 -2.261 -10.380) 11.728 3.259 ( -5.304 -5.793 -10.063) 12.765 3.366 ( -3.223 -2.798 -6.336) 7.639 3.822 ( 3.726 -0.297 -0.514) 3.773 3.881 ( 8.168 -0.125 0.032) 8.169 3.987 ( 4.935 -1.263 2.572) 5.707 4.017 ( -2.822 0.913 0.703) 3.048 4.130 ( 3.021 3.627 1.129) 4.854 4.197 ( 6.099 2.346 -0.927) 6.600 4.294 ( -7.587 -0.353 -0.472) 7.610 4.347 ( 2.250 1.514 3.087) 4.109 4.421 ( 2.200 1.959 2.910) 4.141 4.493 ( 2.641 1.312 1.132) 3.158 4.570 ( -3.004 0.066 0.681) 3.081 4.608 ( -6.754 2.697 -2.113) 7.573 4.753 ( 11.927 1.461 2.092) 12.196 4.860 ( 10.854 1.706 -2.123) 11.190 5.016 ( -10.776 2.546 3.587) 11.640 5.119 ( -11.430 2.601 -0.659) 11.741 5.637 ( 5.827 1.485 -0.125) 6.014 5.670 ( 4.450 0.161 -1.450) 4.683 5.714 ( 1.606 -0.346 -1.019) 1.933 5.739 ( -1.656 1.311 -2.608) 3.356 6.126 ( 6.216 4.511 3.443) 8.417 6.165 ( 1.365 4.701 3.635) 6.097 6.282 ( 3.244 8.328 -1.491) 9.061 6.367 ( -3.209 9.199 -3.208) 10.257 6.708 ( 3.374 5.891 2.042) 7.089 6.795 ( -2.081 7.105 -1.695) 7.595 6.859 ( -11.280 3.324 0.535) 11.772 6.896 ( -12.917 3.830 -1.106) 13.518 7.598 ( -0.416 -0.539 2.018) 2.130 7.647 ( -0.473 1.936 2.872) 3.496 7.709 ( -0.014 0.933 -0.600) 1.110 7.755 ( -3.645 1.090 -0.895) 3.909 7.871 ( 3.483 1.536 0.267) 3.816 7.967 ( 2.656 2.125 -2.058) 3.975 8.010 ( -5.142 2.671 0.555) 5.820 8.076 ( -3.007 3.004 -0.967) 4.359 8.541 ( 10.503 -1.440 2.699) 10.940 8.669 ( 6.629 -0.581 -2.181) 7.003 8.786 ( -9.610 0.075 1.251) 9.691 8.839 ( -7.637 0.683 -0.277) 7.672 9.026 ( -0.810 4.128 0.683) 4.262 9.119 ( -2.003 5.541 3.003) 6.613 9.151 ( -0.286 7.161 -3.032) 7.782 9.295 ( -6.278 8.795 -3.012) 11.218 10.047 ( 8.043 -0.716 3.674) 8.872 10.147 ( -2.420 -0.770 3.692) 4.481 10.204 ( 8.069 -1.474 -3.107) 8.771 10.302 ( -2.453 -1.805 -2.887) 4.196 12.093 ( 0.737 0.079 0.958) 1.212 12.167 ( -0.109 0.758 2.740) 2.845 12.202 ( 1.458 1.028 -2.167) 2.807 12.297 ( -4.179 1.210 -2.310) 4.926 13.512 ( 5.451 2.036 0.618) 5.852 13.559 ( 3.748 3.071 -0.874) 4.924 13.605 ( -1.920 3.028 0.427) 3.611 13.658 ( -4.678 2.690 -1.437) 5.584 15.117 ( 1.166 -0.143 1.411) 1.836 15.144 ( -0.015 0.143 2.009) 2.014 15.161 ( 2.428 0.381 0.302) 2.476 15.225 ( -3.286 -0.133 -1.122) 3.475 15.612 ( 0.759 -1.324 0.018) 1.526 15.672 ( -0.609 -0.782 -0.017) 0.992 15.715 ( -1.502 -0.312 -2.338) 2.796 15.775 ( -3.093 -0.087 -2.711) 4.114 17.682 ( 0.551 0.702 1.236) 1.525 17.710 ( -0.426 0.519 1.789) 1.911 17.747 ( 1.837 0.185 -1.153) 2.177 17.796 ( -1.736 -0.192 -1.816) 2.519 18.075 ( 1.950 -0.315 4.163) 4.608 18.133 ( -1.874 -0.823 4.727) 5.151 18.218 ( 1.770 -2.668 -1.997) 3.774 18.290 ( -1.277 -2.509 -0.784) 2.923 18.406 ( 0.525 -1.083 -1.180) 1.686 18.444 ( -0.603 -2.235 -0.526) 2.374 18.476 ( -2.112 -1.648 -1.488) 3.064 18.531 ( -5.223 -2.824 -1.389) 6.098 18.827 ( 5.346 -3.058 8.047) 10.134 18.911 ( -3.083 -2.854 6.692) 7.901 19.145 ( 4.683 -6.469 -5.784) 9.861 19.193 ( 0.095 -6.035 -5.819) 8.384 19.829 ( 8.306 -4.417 1.711) 9.562 19.884 ( 6.031 -7.547 -0.791) 9.693 19.957 ( -4.999 -3.894 0.598) 6.365 19.983 ( -4.201 -5.156 -0.537) 6.672 ======================= Grid point 80 (31/63) ======================= q-point: ( 0.00 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.055 ( 0.000 14.811 5.051) 15.649 1.141 ( 0.000 13.747 3.953) 14.304 1.396 ( 0.000 2.627 -10.156) 10.491 1.517 ( 0.000 6.239 -4.056) 7.442 1.631 ( 0.000 3.049 -5.421) 6.220 1.632 ( 0.000 7.200 2.745) 7.706 1.760 ( 0.000 -3.100 1.604) 3.491 1.808 ( 0.000 0.599 -4.291) 4.333 1.924 ( 0.000 7.942 3.214) 8.568 2.029 ( 0.000 -1.947 -0.151) 1.953 2.120 ( 0.000 12.653 12.322) 17.662 2.328 ( 0.000 6.722 8.274) 10.660 2.428 ( 0.000 8.900 7.640) 11.729 2.544 ( 0.000 3.502 3.341) 4.840 2.735 ( 0.000 9.320 -3.223) 9.862 2.745 ( 0.000 4.003 -4.652) 6.138 2.784 ( 0.000 14.530 -1.952) 14.661 2.846 ( 0.000 5.065 -4.258) 6.617 2.933 ( 0.000 0.913 0.691) 1.146 2.943 ( 0.000 10.684 -1.432) 10.780 3.025 ( 0.000 0.218 -1.275) 1.293 3.159 ( 0.000 3.830 -9.460) 10.206 3.198 ( 0.000 -1.860 4.204) 4.597 3.435 ( 0.000 0.209 -4.777) 4.782 3.474 ( 0.000 -4.287 1.964) 4.715 3.583 ( 0.000 4.141 -8.745) 9.676 3.907 ( 0.000 -0.298 1.559) 1.588 3.912 ( 0.000 0.821 0.478) 0.950 3.973 ( 0.000 -0.166 -0.560) 0.584 3.994 ( 0.000 -1.284 -1.244) 1.788 4.249 ( 0.000 3.311 9.733) 10.281 4.351 ( 0.000 -0.077 5.762) 5.762 4.440 ( 0.000 3.010 -1.029) 3.181 4.576 ( 0.000 1.360 -4.042) 4.265 4.687 ( 0.000 2.456 0.812) 2.587 4.702 ( 0.000 0.517 -1.578) 1.661 4.949 ( 0.000 0.738 5.428) 5.478 5.035 ( 0.000 0.840 -0.241) 0.873 5.180 ( 0.000 0.294 1.842) 1.866 5.242 ( 0.000 -0.595 0.190) 0.624 5.329 ( 0.000 -0.049 -1.594) 1.595 5.350 ( 0.000 -0.887 -1.526) 1.765 5.605 ( 0.000 0.872 -0.341) 0.937 5.624 ( 0.000 3.306 -1.164) 3.505 6.249 ( 0.000 4.055 4.228) 5.858 6.392 ( 0.000 4.430 -3.176) 5.451 6.507 ( 0.000 11.961 -0.639) 11.978 6.591 ( 0.000 11.166 -3.909) 11.830 6.859 ( 0.000 3.840 1.582) 4.153 6.923 ( 0.000 4.656 -1.261) 4.823 7.214 ( 0.000 -0.410 0.980) 1.062 7.286 ( 0.000 -1.869 -2.015) 2.749 7.679 ( 0.000 -0.500 2.600) 2.648 7.711 ( 0.000 -3.040 0.750) 3.131 7.756 ( 0.000 0.848 -0.773) 1.147 7.843 ( 0.000 1.285 -3.317) 3.557 7.918 ( 0.000 1.681 6.166) 6.391 8.011 ( 0.000 6.929 0.863) 6.982 8.166 ( 0.000 0.667 2.816) 2.894 8.241 ( 0.000 6.099 -1.417) 6.262 8.313 ( 0.000 7.216 -1.398) 7.350 8.375 ( 0.000 0.994 -3.520) 3.658 9.159 ( 0.000 3.367 0.054) 3.367 9.161 ( 0.000 3.365 0.118) 3.367 9.282 ( 0.000 5.340 3.828) 6.570 9.316 ( 0.000 2.105 -0.148) 2.110 9.350 ( 0.000 5.755 2.329) 6.208 9.611 ( 0.000 -0.004 -4.731) 4.731 9.724 ( 0.000 -3.141 1.470) 3.468 9.862 ( 0.000 -0.158 -5.953) 5.955 10.119 ( 0.000 -0.214 1.678) 1.691 10.248 ( 0.000 -1.817 -3.025) 3.529 12.091 ( 0.000 0.040 0.882) 0.883 12.107 ( 0.000 0.232 0.383) 0.448 12.258 ( 0.000 1.870 3.019) 3.551 12.424 ( 0.000 -0.083 -3.973) 3.974 13.416 ( 0.000 2.654 2.112) 3.392 13.548 ( 0.000 0.437 -2.937) 2.969 13.704 ( 0.000 4.110 -0.094) 4.111 13.797 ( 0.000 2.585 -2.806) 3.815 15.087 ( 0.000 0.451 0.879) 0.988 15.098 ( 0.000 0.199 0.511) 0.549 15.189 ( 0.000 1.319 2.707) 3.011 15.282 ( 0.000 -0.219 -1.551) 1.566 15.573 ( 0.000 -3.112 -0.995) 3.267 15.575 ( 0.000 -2.616 -0.851) 2.751 15.864 ( 0.000 0.616 0.315) 0.692 15.886 ( 0.000 0.506 -0.966) 1.091 17.633 ( 0.000 -0.665 0.462) 0.810 17.652 ( 0.000 -0.990 -0.311) 1.037 17.739 ( 0.000 -0.871 0.272) 0.912 17.760 ( 0.000 -1.655 -0.867) 1.868 18.109 ( 0.000 -2.729 10.808) 11.147 18.151 ( 0.000 -0.956 3.933) 4.047 18.284 ( 0.000 -2.629 -0.991) 2.810 18.323 ( 0.000 -0.303 2.351) 2.370 18.372 ( 0.000 -3.197 -2.398) 3.996 18.395 ( 0.000 -1.016 1.201) 1.573 18.424 ( 0.000 -1.658 -2.724) 3.189 18.533 ( 0.000 -4.919 -2.414) 5.479 18.680 ( 0.000 -3.654 0.390) 3.675 18.710 ( 0.000 -4.312 -1.343) 4.516 19.015 ( 0.000 -2.551 0.334) 2.573 19.032 ( 0.000 -2.231 -0.366) 2.261 19.491 ( 0.000 -1.647 1.589) 2.288 19.564 ( 0.000 -4.453 -1.516) 4.704 19.985 ( 0.000 -3.198 0.171) 3.202 19.996 ( 0.000 -3.373 -0.301) 3.387 ======================= Grid point 81 (32/63) ======================= q-point: ( 0.20 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.019 ( -2.489 14.550 4.111) 15.324 1.195 ( 4.145 9.677 6.198) 12.217 1.321 ( -4.116 6.471 -10.147) 12.719 1.489 ( -3.749 7.929 -2.204) 9.043 1.606 ( -4.434 4.473 0.498) 6.319 1.636 ( -2.381 3.537 -0.951) 4.368 1.739 ( 1.128 2.662 -0.665) 2.966 1.780 ( -0.072 3.172 2.422) 3.991 1.936 ( -1.492 4.910 -1.434) 5.328 2.023 ( -0.817 -0.213 -3.846) 3.938 2.179 ( 4.393 11.340 8.870) 15.052 2.299 ( -6.200 7.326 2.893) 10.024 2.402 ( 1.254 2.952 8.118) 8.729 2.529 ( -5.415 8.015 -0.671) 9.696 2.572 ( -5.688 7.139 2.288) 9.410 2.713 ( -2.662 9.607 -0.613) 9.987 2.785 ( 2.108 1.924 -5.754) 6.423 2.841 ( -0.376 3.050 -1.388) 3.372 2.888 ( -1.332 4.808 -0.755) 5.046 2.998 ( 0.398 7.832 -1.538) 7.991 3.077 ( 3.289 6.656 -1.466) 7.567 3.143 ( -4.188 -1.611 2.493) 5.134 3.237 ( 2.373 0.338 -3.158) 3.965 3.345 ( -3.883 -1.716 -4.001) 5.834 3.626 ( 12.121 -1.798 1.708) 12.372 3.723 ( 9.171 1.997 -5.654) 10.958 3.893 ( 3.327 -0.473 -2.068) 3.946 3.943 ( 4.009 0.581 -4.380) 5.966 4.075 ( 6.620 1.824 2.277) 7.234 4.105 ( 8.852 1.248 1.393) 9.047 4.299 ( 4.917 3.770 8.935) 10.873 4.388 ( 4.441 0.532 3.041) 5.409 4.472 ( 2.953 2.668 0.236) 3.987 4.539 ( -6.028 1.508 -4.317) 7.566 4.649 ( -3.076 1.822 2.596) 4.418 4.694 ( -4.170 1.755 1.577) 4.791 4.761 ( -5.021 -0.523 1.403) 5.240 4.848 ( -9.572 0.864 -2.766) 10.001 5.204 ( -2.309 2.966 2.621) 4.582 5.300 ( -2.752 1.226 -1.770) 3.494 5.494 ( 13.540 -1.403 0.456) 13.620 5.534 ( 13.760 -0.236 -0.986) 13.797 5.633 ( 3.392 0.518 -0.370) 3.451 5.657 ( 4.669 2.112 -1.100) 5.242 6.181 ( -4.601 3.718 2.876) 6.577 6.298 ( -8.159 2.671 -2.195) 8.861 6.485 ( -0.863 11.745 0.602) 11.792 6.616 ( -0.710 10.934 -4.269) 11.759 6.814 ( -0.406 4.935 4.490) 6.684 6.978 ( -0.017 4.555 -3.655) 5.840 7.114 ( -8.351 1.589 1.341) 8.606 7.185 ( -8.859 1.377 -1.706) 9.127 7.628 ( -4.132 -1.082 1.861) 4.659 7.682 ( -1.700 -0.769 0.582) 1.954 7.767 ( -1.077 -1.089 1.752) 2.327 7.802 ( -3.243 -0.028 0.136) 3.246 7.920 ( 0.657 4.637 0.843) 4.759 7.985 ( -1.486 4.732 -0.279) 4.968 8.174 ( -0.494 3.143 0.066) 3.182 8.224 ( -3.749 6.302 -1.779) 7.546 8.351 ( 7.201 2.786 2.098) 8.001 8.488 ( 8.730 -0.121 -3.505) 9.408 9.018 ( -11.843 1.479 0.967) 11.974 9.034 ( -12.103 0.454 -0.217) 12.114 9.186 ( -4.929 4.989 1.821) 7.246 9.271 ( -2.432 4.927 -0.362) 5.507 9.332 ( -2.585 6.862 3.121) 7.969 9.586 ( -4.994 4.035 -5.728) 8.604 9.847 ( 9.989 -1.254 2.041) 10.272 9.980 ( 10.745 -1.814 -3.090) 11.327 10.136 ( 1.247 -0.541 2.290) 2.663 10.267 ( 1.264 -1.911 -2.729) 3.563 12.088 ( 0.236 0.285 0.855) 0.931 12.137 ( 2.430 0.243 0.299) 2.460 12.246 ( -1.090 1.862 2.263) 3.126 12.391 ( -3.176 0.417 -3.414) 4.682 13.459 ( 4.269 2.486 1.741) 5.238 13.561 ( 1.694 1.371 -2.044) 2.988 13.699 ( -0.744 3.826 0.093) 3.899 13.776 ( -2.218 2.628 -2.341) 4.160 15.094 ( 0.726 0.008 0.928) 1.178 15.115 ( 1.717 0.387 0.264) 1.779 15.179 ( -0.993 0.899 2.405) 2.753 15.266 ( -1.759 -0.325 -1.471) 2.316 15.565 ( 0.285 -2.326 -0.003) 2.344 15.606 ( 2.277 -2.320 -1.602) 3.624 15.812 ( -5.010 0.681 0.381) 5.071 15.848 ( -3.662 0.347 -1.383) 3.930 17.664 ( 2.417 -0.247 0.276) 2.445 17.680 ( 2.559 -0.456 -0.330) 2.620 17.735 ( 0.058 -0.624 0.700) 0.939 17.779 ( 1.258 -1.554 -1.395) 2.438 18.078 ( -1.885 -0.545 6.961) 7.232 18.137 ( -1.563 -0.834 3.045) 3.523 18.205 ( -4.363 -0.452 1.548) 4.651 18.263 ( -1.858 -2.911 -1.496) 3.763 18.388 ( 0.157 -1.133 -0.006) 1.144 18.403 ( -0.795 -2.775 0.092) 2.889 18.454 ( 0.755 -2.702 -1.534) 3.198 18.536 ( -1.908 -4.159 -1.992) 4.991 18.678 ( 2.470 -3.004 3.242) 5.063 18.818 ( 6.968 -5.511 -2.005) 9.108 18.977 ( -1.841 -2.825 0.833) 3.473 19.056 ( 1.093 -4.600 -2.083) 5.167 19.580 ( 8.139 -2.827 0.976) 8.671 19.620 ( 5.712 -5.029 -0.775) 7.649 19.958 ( -2.896 -3.375 0.170) 4.451 19.968 ( -2.981 -3.607 -0.264) 4.687 ======================= Grid point 82 (33/63) ======================= q-point: ( 0.40 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.009 ( 1.805 10.402 0.798) 10.587 1.225 ( 0.121 6.546 -4.236) 7.798 1.304 ( -8.058 11.522 7.460) 15.917 1.372 ( 5.527 6.399 1.031) 8.518 1.529 ( -6.623 4.134 4.359) 8.942 1.646 ( 1.229 6.477 -1.754) 6.822 1.700 ( -0.636 6.074 -2.698) 6.676 1.770 ( -2.978 7.652 2.922) 8.715 1.929 ( 3.530 5.645 -2.512) 7.116 2.040 ( -1.470 5.472 -5.257) 7.729 2.092 ( -3.967 2.864 -5.088) 7.059 2.219 ( -6.638 7.099 -7.324) 12.170 2.437 ( 4.041 10.258 5.322) 12.243 2.495 ( 3.357 -3.273 7.712) 9.025 2.583 ( -0.094 6.258 6.044) 8.700 2.675 ( 1.356 3.204 4.012) 5.311 2.785 ( -5.370 3.549 4.484) 7.845 2.841 ( 1.220 8.466 -3.937) 9.416 2.879 ( -0.450 7.745 -1.934) 7.996 2.967 ( -1.631 -0.946 -1.209) 2.239 3.063 ( -0.311 2.722 0.184) 2.746 3.173 ( 3.873 2.961 -4.067) 6.349 3.207 ( -2.877 3.237 -1.884) 4.723 3.296 ( -2.642 -3.751 -0.856) 4.667 3.823 ( 5.943 0.463 -2.137) 6.333 3.881 ( 8.071 0.621 -2.933) 8.610 3.951 ( 3.743 -0.983 -1.276) 4.075 4.018 ( -1.628 -0.592 -2.926) 3.400 4.204 ( 4.503 3.649 2.345) 6.252 4.247 ( 7.203 2.252 -0.862) 7.596 4.328 ( -8.380 3.365 1.400) 9.139 4.379 ( 0.804 1.548 1.522) 2.315 4.478 ( 0.147 3.147 4.120) 5.186 4.516 ( -2.368 1.375 3.252) 4.252 4.578 ( 3.724 1.440 1.140) 4.152 4.676 ( -5.315 3.583 -3.381) 7.247 4.788 ( 12.938 1.842 1.775) 13.189 4.889 ( 12.002 1.000 -2.274) 12.256 5.070 ( -11.987 2.732 2.566) 12.559 5.162 ( -11.996 1.616 -0.996) 12.145 5.666 ( 5.024 0.450 -0.574) 5.076 5.681 ( 5.305 1.445 -1.068) 5.602 5.706 ( 1.914 -0.369 -0.181) 1.957 5.763 ( -0.257 0.760 -3.006) 3.111 6.200 ( 6.865 2.906 2.865) 7.986 6.240 ( 5.138 2.730 2.214) 6.225 6.437 ( -5.238 6.173 -0.365) 8.104 6.507 ( -10.075 4.211 -2.131) 11.125 6.852 ( 3.995 7.928 1.597) 9.020 6.916 ( -2.117 6.194 -0.499) 6.565 6.981 ( -5.348 7.377 0.100) 9.112 7.020 ( -8.007 7.712 -1.130) 11.174 7.580 ( -0.621 -1.142 1.550) 2.023 7.671 ( 1.151 -0.564 0.944) 1.592 7.715 ( -2.869 0.416 3.409) 4.475 7.745 ( -2.981 -1.674 1.537) 3.749 7.948 ( 2.458 5.205 -3.249) 6.609 7.997 ( 2.084 1.775 -4.279) 5.079 8.113 ( -5.170 6.285 0.385) 8.147 8.148 ( -2.955 3.954 -0.465) 4.958 8.526 ( 9.905 -0.137 2.187) 10.145 8.650 ( 7.540 -1.235 -2.836) 8.150 8.779 ( -11.742 -0.424 1.811) 11.889 8.838 ( -7.868 -0.688 -0.226) 7.901 9.129 ( -1.196 5.776 1.513) 6.090 9.242 ( -1.312 6.399 5.226) 8.366 9.307 ( 1.021 7.690 -4.275) 8.857 9.461 ( -5.917 7.190 -3.306) 9.881 10.027 ( 7.909 -1.191 3.060) 8.564 10.124 ( -1.544 -1.533 2.920) 3.641 10.172 ( 6.898 -1.477 -2.799) 7.589 10.263 ( -2.276 -1.942 -2.694) 4.026 12.098 ( 0.532 0.380 0.795) 1.030 12.182 ( 1.686 0.794 2.485) 3.106 12.228 ( -0.277 1.505 -1.813) 2.372 12.325 ( -3.007 1.470 -1.701) 3.754 13.554 ( 4.772 2.040 0.865) 5.262 13.612 ( 3.059 2.147 -0.196) 3.743 13.671 ( -2.024 3.219 -0.547) 3.841 13.718 ( -3.489 3.096 -1.430) 4.879 15.114 ( 1.299 -0.122 1.288) 1.834 15.147 ( -0.637 0.247 1.634) 1.771 15.165 ( 1.910 -0.048 -0.173) 1.919 15.220 ( -2.953 -0.407 -1.165) 3.200 15.589 ( 1.983 -0.928 0.410) 2.228 15.654 ( 2.066 -0.967 -0.673) 2.378 15.712 ( -3.990 0.063 -0.716) 4.055 15.771 ( -3.656 -0.235 -1.780) 4.073 17.697 ( 0.863 0.685 0.662) 1.285 17.720 ( 0.887 0.487 1.210) 1.578 17.748 ( 1.513 -0.121 -0.943) 1.787 17.787 ( -0.590 -0.682 -1.316) 1.596 18.073 ( 1.220 0.191 3.370) 3.589 18.114 ( -1.087 -0.929 3.421) 3.708 18.169 ( -0.077 -2.048 -0.649) 2.150 18.236 ( -1.152 -2.688 -0.030) 2.925 18.376 ( -0.746 -1.734 -0.806) 2.052 18.407 ( 0.691 -1.342 -0.515) 1.595 18.437 ( -0.604 -2.346 -0.824) 2.559 18.476 ( -3.452 -2.266 -1.750) 4.485 18.760 ( 5.051 -3.347 5.450) 8.150 18.848 ( -3.108 -3.261 4.366) 6.274 19.003 ( 3.593 -7.283 -4.423) 9.247 19.057 ( -1.306 -7.099 -4.058) 8.281 19.744 ( 8.359 -3.794 0.336) 9.186 19.753 ( 7.582 -5.233 -0.061) 9.212 19.877 ( -5.697 -3.855 0.177) 6.881 19.885 ( -5.876 -4.254 -0.138) 7.255 ======================= Grid point 85 (34/63) ======================= q-point: ( 0.00 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.312 ( 0.000 2.239 2.069) 3.049 1.330 ( 0.000 11.410 0.391) 11.417 1.520 ( 0.000 10.328 -7.384) 12.696 1.590 ( 0.000 0.930 -1.120) 1.455 1.633 ( 0.000 -1.185 -2.725) 2.971 1.709 ( 0.000 -0.291 0.502) 0.581 1.799 ( 0.000 7.471 0.735) 7.507 1.864 ( 0.000 4.378 -3.198) 5.422 1.984 ( 0.000 0.582 -0.954) 1.117 2.003 ( 0.000 0.082 -2.840) 2.842 2.309 ( 0.000 3.616 11.381) 11.942 2.404 ( 0.000 -0.252 9.455) 9.458 2.516 ( 0.000 -0.904 3.387) 3.506 2.544 ( 0.000 -1.475 2.760) 3.129 2.713 ( 0.000 -3.845 -2.341) 4.502 2.784 ( 0.000 -1.959 -4.195) 4.630 2.914 ( 0.000 0.819 -0.467) 0.943 2.968 ( 0.000 0.012 -4.442) 4.442 3.018 ( 0.000 7.439 -1.573) 7.604 3.027 ( 0.000 4.625 -1.894) 4.997 3.245 ( 0.000 12.387 3.887) 12.982 3.265 ( 0.000 6.296 0.802) 6.347 3.294 ( 0.000 7.023 -1.110) 7.110 3.461 ( 0.000 4.275 -1.597) 4.564 3.473 ( 0.000 6.122 3.929) 7.274 3.767 ( 0.000 10.732 -13.962) 17.610 3.869 ( 0.000 -0.919 1.251) 1.552 3.900 ( 0.000 -1.033 -0.554) 1.172 3.995 ( 0.000 0.818 0.178) 0.837 3.998 ( 0.000 1.792 -0.689) 1.920 4.272 ( 0.000 -1.722 5.446) 5.712 4.406 ( 0.000 5.297 9.470) 10.851 4.469 ( 0.000 -0.329 -2.918) 2.937 4.600 ( 0.000 0.906 -1.648) 1.881 4.714 ( 0.000 0.329 0.433) 0.544 4.719 ( 0.000 0.896 -1.345) 1.616 4.959 ( 0.000 0.330 3.950) 3.964 5.034 ( 0.000 -0.709 -0.223) 0.743 5.202 ( 0.000 1.755 0.874) 1.961 5.242 ( 0.000 0.521 -0.160) 0.545 5.331 ( 0.000 0.194 -1.856) 1.866 5.337 ( 0.000 -0.372 -1.785) 1.823 5.628 ( 0.000 1.289 1.065) 1.673 5.676 ( 0.000 1.720 -0.827) 1.909 6.326 ( 0.000 3.499 3.423) 4.895 6.448 ( 0.000 1.431 -2.716) 3.070 6.732 ( 0.000 9.485 0.174) 9.486 6.806 ( 0.000 8.874 -1.479) 8.996 6.922 ( 0.000 2.832 -0.441) 2.866 6.988 ( 0.000 2.359 -1.914) 3.038 7.208 ( 0.000 -0.156 0.194) 0.249 7.250 ( 0.000 -1.642 -1.384) 2.147 7.622 ( 0.000 -4.921 1.478) 5.138 7.633 ( 0.000 -3.744 1.084) 3.898 7.759 ( 0.000 -0.086 0.856) 0.861 7.838 ( 0.000 -1.339 -2.170) 2.550 7.997 ( 0.000 5.210 6.827) 8.588 8.137 ( 0.000 3.442 -1.089) 3.610 8.209 ( 0.000 4.589 3.470) 5.753 8.309 ( 0.000 1.436 -2.285) 2.699 8.465 ( 0.000 6.717 -2.419) 7.139 8.477 ( 0.000 7.911 -3.104) 8.498 9.225 ( 0.000 3.266 -0.012) 3.266 9.226 ( 0.000 3.064 0.097) 3.065 9.347 ( 0.000 2.082 0.229) 2.094 9.359 ( 0.000 1.947 -0.477) 2.004 9.485 ( 0.000 5.931 3.370) 6.822 9.589 ( 0.000 -1.801 -1.155) 2.140 9.662 ( 0.000 -2.400 3.286) 4.069 9.849 ( 0.000 -1.151 -3.374) 3.565 10.122 ( 0.000 0.543 -0.099) 0.552 10.217 ( 0.000 -1.288 -2.829) 3.108 12.094 ( 0.000 0.293 1.122) 1.160 12.112 ( 0.000 0.220 0.635) 0.672 12.299 ( 0.000 2.154 1.625) 2.698 12.420 ( 0.000 -0.317 -3.352) 3.367 13.463 ( 0.000 1.981 1.873) 2.726 13.548 ( 0.000 -0.315 -1.288) 1.326 13.786 ( 0.000 3.799 -0.203) 3.805 13.849 ( 0.000 2.350 -2.308) 3.294 15.097 ( 0.000 0.483 0.551) 0.733 15.103 ( 0.000 0.235 0.373) 0.441 15.215 ( 0.000 1.238 1.756) 2.148 15.278 ( 0.000 -0.292 -1.294) 1.327 15.514 ( 0.000 -2.624 -0.259) 2.637 15.522 ( 0.000 -2.509 -0.327) 2.530 15.879 ( 0.000 0.803 0.377) 0.887 15.896 ( 0.000 0.452 -0.541) 0.705 17.622 ( 0.000 -0.408 0.387) 0.563 17.634 ( 0.000 -0.782 -0.051) 0.783 17.716 ( 0.000 -1.297 0.219) 1.316 17.723 ( 0.000 -1.906 -0.221) 1.918 18.080 ( 0.000 -0.206 6.393) 6.396 18.132 ( 0.000 -0.864 2.199) 2.363 18.218 ( 0.000 -3.328 -1.528) 3.662 18.299 ( 0.000 -3.705 -2.927) 4.721 18.322 ( 0.000 -0.316 1.013) 1.061 18.386 ( 0.000 -2.560 -2.124) 3.327 18.389 ( 0.000 0.418 1.520) 1.577 18.461 ( 0.000 -1.967 -1.396) 2.412 18.613 ( 0.000 -2.868 0.347) 2.889 18.630 ( 0.000 -3.488 -0.609) 3.541 18.971 ( 0.000 -1.676 0.285) 1.700 18.990 ( 0.000 -1.798 -0.508) 1.868 19.463 ( 0.000 -1.107 0.566) 1.243 19.492 ( 0.000 -2.646 -0.679) 2.732 19.927 ( 0.000 -2.468 0.123) 2.471 19.934 ( 0.000 -2.663 -0.186) 2.669 ======================= Grid point 86 (35/63) ======================= q-point: ( 0.20 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.218 ( -4.018 4.494 5.191) 7.955 1.372 ( -0.954 9.119 0.936) 9.217 1.497 ( -0.342 8.419 -7.491) 11.274 1.589 ( -2.886 1.857 1.387) 3.701 1.665 ( 2.377 3.027 -1.996) 4.335 1.709 ( 1.317 3.807 -1.992) 4.494 1.810 ( 0.080 4.488 -1.475) 4.725 1.854 ( 1.194 3.326 -1.825) 3.977 1.978 ( -0.525 0.822 -1.899) 2.135 2.047 ( 3.177 3.338 -2.140) 5.081 2.299 ( -2.321 -1.090 6.168) 6.680 2.389 ( -0.994 0.941 8.004) 8.120 2.452 ( -2.662 1.332 5.123) 5.925 2.490 ( -9.020 -4.047 -3.441) 10.468 2.654 ( -1.502 -0.656 3.910) 4.240 2.816 ( -1.585 -0.844 -4.498) 4.843 2.849 ( -3.519 4.009 -2.555) 5.915 2.915 ( -0.730 1.320 -3.220) 3.556 3.000 ( -0.918 6.082 0.422) 6.165 3.058 ( -0.680 -0.089 -1.097) 1.294 3.171 ( -5.687 5.423 4.049) 8.840 3.234 ( -3.602 5.438 3.547) 7.424 3.307 ( 0.765 4.505 0.334) 4.582 3.401 ( -1.809 7.398 -3.530) 8.395 3.620 ( 11.295 2.107 1.769) 11.626 3.833 ( 3.965 7.119 -8.138) 11.517 3.906 ( 5.492 2.228 -2.191) 6.319 3.957 ( 5.439 1.382 -3.540) 6.635 4.111 ( 9.574 2.120 2.029) 10.013 4.146 ( 11.049 2.471 -0.295) 11.325 4.356 ( 7.918 0.263 4.762) 9.243 4.425 ( 3.122 4.139 6.860) 8.598 4.502 ( 2.887 0.163 -1.432) 3.227 4.573 ( -4.621 1.733 -2.187) 5.398 4.675 ( -2.539 0.825 3.062) 4.062 4.732 ( -10.918 0.233 2.535) 11.211 4.751 ( 2.299 1.362 -0.412) 2.704 4.870 ( -8.374 0.967 -2.713) 8.855 5.260 ( -2.201 2.447 0.871) 3.405 5.318 ( -2.203 0.596 -1.840) 2.932 5.469 ( 14.548 -0.918 0.686) 14.593 5.522 ( 15.683 -0.907 -1.509) 15.782 5.647 ( 1.967 0.927 0.900) 2.354 5.697 ( 2.687 1.487 -0.968) 3.220 6.252 ( -5.026 3.230 2.421) 6.446 6.338 ( -8.464 1.324 -1.537) 8.704 6.686 ( -5.023 7.487 0.773) 9.049 6.787 ( -8.981 4.865 -2.551) 10.528 6.909 ( 5.007 5.151 2.076) 7.478 7.040 ( 0.933 2.283 -3.481) 4.266 7.163 ( -2.048 3.144 1.282) 3.965 7.225 ( -2.004 2.375 -1.549) 3.472 7.587 ( -3.198 -2.808 1.453) 4.497 7.633 ( -0.288 -3.487 0.190) 3.504 7.737 ( -1.741 -1.292 2.197) 3.087 7.789 ( -3.913 -1.436 0.874) 4.258 8.018 ( 1.111 5.295 2.458) 5.943 8.110 ( -3.669 6.098 -0.373) 7.126 8.218 ( 2.653 1.571 0.266) 3.095 8.332 ( -2.113 3.776 -3.307) 5.446 8.436 ( 1.381 4.708 0.104) 4.907 8.516 ( 3.434 2.947 -2.364) 5.106 9.039 ( -13.373 0.926 0.503) 13.415 9.051 ( -15.256 1.160 -0.018) 15.300 9.278 ( -2.980 3.992 1.549) 5.217 9.360 ( 0.085 3.799 -0.375) 3.818 9.471 ( -1.919 6.378 2.878) 7.256 9.635 ( 0.159 1.196 -2.003) 2.339 9.823 ( 10.692 -0.950 1.369) 10.821 9.938 ( 9.488 -2.298 -1.810) 9.929 10.131 ( 0.716 0.140 0.494) 0.881 10.232 ( 0.982 -1.567 -2.642) 3.225 12.096 ( 0.477 0.415 0.945) 1.137 12.143 ( 2.668 0.329 0.830) 2.814 12.287 ( -1.144 2.107 1.053) 2.619 12.398 ( -2.172 0.209 -2.810) 3.558 13.504 ( 4.016 1.899 1.577) 4.714 13.576 ( 2.888 0.243 -0.994) 3.064 13.774 ( -1.394 3.442 -0.191) 3.718 13.828 ( -2.154 2.317 -1.971) 3.728 15.095 ( 0.292 0.085 0.831) 0.885 15.121 ( 1.430 0.088 -0.177) 1.444 15.198 ( -1.727 0.924 1.667) 2.572 15.258 ( -2.021 -0.416 -1.144) 2.359 15.522 ( 1.671 -1.773 0.462) 2.480 15.560 ( 3.256 -2.154 -1.009) 4.033 15.827 ( -5.021 0.819 0.493) 5.112 15.854 ( -4.088 0.264 -0.717) 4.159 17.659 ( 3.272 -0.166 0.233) 3.284 17.672 ( 3.467 -0.349 -0.220) 3.491 17.719 ( 0.670 -0.949 0.511) 1.269 17.744 ( 1.580 -1.795 -0.569) 2.458 18.075 ( -0.236 0.354 4.802) 4.821 18.124 ( -0.962 -0.482 1.832) 2.124 18.191 ( -3.694 -1.453 -0.254) 3.978 18.209 ( -2.721 -1.982 -1.093) 3.539 18.350 ( 0.585 -2.003 0.172) 2.093 18.369 ( -0.385 -1.353 -0.089) 1.409 18.406 ( -0.469 -1.743 -1.042) 2.084 18.471 ( -0.458 -2.387 -1.873) 3.068 18.620 ( 2.493 -2.544 2.057) 4.113 18.708 ( 5.794 -5.092 -1.660) 7.890 18.929 ( -3.899 -1.890 0.729) 4.393 18.974 ( -1.917 -3.375 -1.156) 4.050 19.534 ( 6.700 -1.785 0.172) 6.936 19.544 ( 5.318 -2.681 -0.246) 5.961 19.897 ( -3.212 -2.569 0.118) 4.115 19.903 ( -3.240 -2.715 -0.167) 4.231 ======================= Grid point 87 (36/63) ======================= q-point: ( 0.40 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.192 ( 0.611 7.771 3.426) 8.515 1.349 ( 0.882 4.793 3.551) 6.030 1.442 ( -7.216 2.779 1.220) 7.829 1.545 ( 1.421 9.814 3.255) 10.437 1.656 ( -2.770 8.116 -2.079) 8.824 1.771 ( 2.330 5.721 -2.391) 6.624 1.809 ( 1.055 4.829 -3.862) 6.272 1.886 ( 0.686 1.128 -2.733) 3.035 2.013 ( 5.388 3.795 -2.839) 7.176 2.090 ( 0.725 4.026 -2.352) 4.719 2.227 ( -4.885 4.058 -1.484) 6.522 2.254 ( -8.494 0.336 -4.044) 9.414 2.372 ( -1.993 -4.811 -0.511) 5.233 2.517 ( 7.034 -3.308 6.373) 10.052 2.639 ( -1.995 -1.736 6.494) 7.012 2.724 ( -6.077 2.633 2.803) 7.192 2.807 ( 0.630 0.547 -0.613) 1.035 2.917 ( -4.980 -1.613 -0.333) 5.245 2.958 ( 2.434 -0.756 -4.157) 4.876 3.048 ( -0.154 5.218 -1.486) 5.428 3.156 ( 0.576 6.808 3.448) 7.653 3.183 ( -0.144 -0.189 5.877) 5.882 3.308 ( -0.575 5.054 -0.662) 5.129 3.341 ( -3.097 6.135 -1.728) 7.087 3.838 ( 9.766 1.326 -0.805) 9.888 3.917 ( 4.262 2.800 -5.285) 7.344 3.971 ( 0.849 2.435 -3.283) 4.175 4.024 ( -0.910 1.652 -4.102) 4.515 4.273 ( 4.202 2.846 1.425) 5.271 4.298 ( 5.386 3.136 1.499) 6.410 4.400 ( -2.644 2.832 0.449) 3.901 4.415 ( -3.208 2.558 1.614) 4.409 4.530 ( -0.667 1.922 4.947) 5.349 4.554 ( -1.641 2.154 4.774) 5.488 4.638 ( 7.213 4.163 -0.272) 8.333 4.743 ( -3.671 2.894 -2.967) 5.537 4.823 ( 14.089 1.555 1.096) 14.217 4.900 ( 13.108 0.096 -1.743) 13.223 5.122 ( -12.679 2.346 1.199) 12.950 5.186 ( -12.400 0.779 -1.162) 12.478 5.665 ( 5.112 -0.329 0.426) 5.140 5.690 ( 1.873 -0.305 0.508) 1.964 5.719 ( 5.501 1.101 -1.638) 5.845 5.769 ( 1.422 0.024 -3.013) 3.332 6.248 ( 4.624 1.864 1.804) 5.302 6.284 ( 6.452 1.755 1.435) 6.839 6.519 ( -12.176 2.181 -0.302) 12.373 6.554 ( -12.581 1.077 -0.901) 12.660 7.008 ( 4.360 7.016 0.402) 8.270 7.058 ( 2.852 7.055 -0.131) 7.610 7.129 ( -2.456 6.819 0.582) 7.272 7.168 ( -4.530 6.448 -0.550) 7.899 7.552 ( -0.104 -1.667 0.382) 1.714 7.630 ( 0.465 -2.901 -1.265) 3.199 7.704 ( -1.742 -2.003 3.202) 4.159 7.719 ( -2.759 -0.568 5.174) 5.891 8.036 ( 1.121 3.441 -4.969) 6.147 8.066 ( -0.585 4.416 -4.067) 6.032 8.220 ( -2.579 3.742 0.851) 4.623 8.244 ( -3.904 5.345 0.009) 6.619 8.535 ( 7.919 0.985 1.121) 8.058 8.625 ( 6.816 -1.126 -2.639) 7.396 8.778 ( -12.160 0.397 2.048) 12.338 8.822 ( -8.997 -0.657 0.261) 9.024 9.247 ( -0.496 5.513 1.696) 5.789 9.368 ( 0.088 5.814 5.091) 7.728 9.449 ( 0.442 6.094 -4.133) 7.377 9.579 ( -3.813 4.310 -2.409) 6.238 10.003 ( 7.458 -1.130 2.430) 7.924 10.085 ( 1.617 -2.145 1.906) 3.294 10.149 ( 3.645 -0.697 -2.283) 4.357 10.225 ( -2.272 -1.816 -2.686) 3.959 12.108 ( 0.542 0.540 0.825) 1.125 12.198 ( 2.677 0.740 2.538) 3.763 12.260 ( -1.583 1.545 -2.052) 3.017 12.354 ( -1.784 1.385 -1.271) 2.591 13.591 ( 4.087 1.555 0.754) 4.438 13.647 ( 4.102 1.297 0.238) 4.309 13.729 ( -3.289 2.478 -0.928) 4.221 13.777 ( -2.626 2.546 -1.186) 3.845 15.112 ( 1.549 -0.016 1.059) 1.877 15.153 ( -0.002 0.121 0.448) 0.464 15.159 ( -0.070 -0.356 0.295) 0.468 15.209 ( -2.969 -0.681 -0.922) 3.182 15.576 ( 3.514 -0.267 0.546) 3.566 15.634 ( 4.169 -1.001 -0.920) 4.385 15.718 ( -5.664 0.468 0.379) 5.696 15.766 ( -4.356 -0.276 -0.810) 4.439 17.708 ( 1.259 0.425 0.226) 1.348 17.728 ( 1.631 0.233 0.702) 1.791 17.742 ( 1.441 -0.462 -0.723) 1.677 17.770 ( 0.807 -0.949 -0.572) 1.371 18.082 ( 1.085 0.494 2.723) 2.973 18.103 ( -0.889 0.117 1.479) 1.729 18.136 ( -1.575 -1.207 -0.052) 1.985 18.185 ( -0.702 -2.265 0.082) 2.373 18.346 ( -0.265 -1.085 0.598) 1.267 18.378 ( -0.945 -1.926 -0.498) 2.202 18.386 ( 0.894 -2.039 -0.942) 2.417 18.443 ( -1.831 -1.240 -1.631) 2.748 18.697 ( 5.002 -2.770 3.053) 6.482 18.781 ( -0.761 -3.450 1.483) 3.831 18.866 ( 0.004 -5.687 -2.008) 6.031 18.921 ( -3.426 -5.900 -2.410) 7.236 19.672 ( 7.661 -2.852 0.177) 8.177 19.680 ( 7.949 -2.573 -0.162) 8.356 19.807 ( -6.226 -2.809 0.166) 6.832 19.815 ( -6.085 -2.765 -0.164) 6.686 ======================= Grid point 90 (37/63) ======================= q-point: ( 0.00 0.42 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.330 ( 0.000 1.001 2.999) 3.161 1.436 ( 0.000 -1.635 -2.954) 3.376 1.613 ( 0.000 2.858 3.297) 4.363 1.666 ( 0.000 4.656 0.279) 4.665 1.673 ( 0.000 1.571 -1.565) 2.217 1.757 ( 0.000 5.894 -6.699) 8.923 1.904 ( 0.000 0.620 -1.572) 1.689 1.948 ( 0.000 2.753 -4.943) 5.658 2.014 ( 0.000 4.699 -1.612) 4.968 2.029 ( 0.000 2.474 -4.325) 4.982 2.301 ( 0.000 -2.432 8.918) 9.243 2.332 ( 0.000 -4.669 7.013) 8.426 2.455 ( 0.000 -3.641 2.079) 4.192 2.511 ( 0.000 -3.717 0.284) 3.728 2.655 ( 0.000 -0.180 0.369) 0.411 2.735 ( 0.000 -2.518 -3.522) 4.329 2.882 ( 0.000 -1.712 1.036) 2.001 2.922 ( 0.000 -3.091 -1.918) 3.638 3.137 ( 0.000 3.992 -1.492) 4.262 3.138 ( 0.000 3.899 -1.103) 4.052 3.296 ( 0.000 0.806 1.342) 1.565 3.334 ( 0.000 -0.729 -0.296) 0.786 3.538 ( 0.000 12.316 5.681) 13.563 3.623 ( 0.000 8.141 -0.448) 8.154 3.654 ( 0.000 8.426 1.465) 8.552 3.791 ( 0.000 -2.379 0.456) 2.423 3.907 ( 0.000 2.441 -0.006) 2.441 3.987 ( 0.000 2.628 -2.209) 3.434 4.010 ( 0.000 0.573 0.545) 0.790 4.080 ( 0.000 7.989 -7.144) 10.717 4.206 ( 0.000 -3.511 2.383) 4.243 4.425 ( 0.000 -4.030 -5.946) 7.183 4.514 ( 0.000 4.594 7.452) 8.755 4.604 ( 0.000 -0.530 0.967) 1.103 4.713 ( 0.000 0.024 0.965) 0.965 4.732 ( 0.000 0.216 0.139) 0.257 4.968 ( 0.000 0.673 2.437) 2.528 5.013 ( 0.000 -1.243 0.111) 1.248 5.240 ( 0.000 1.703 -0.064) 1.704 5.257 ( 0.000 0.686 -0.565) 0.888 5.334 ( 0.000 -0.031 -1.726) 1.726 5.335 ( 0.000 0.103 -1.712) 1.715 5.656 ( 0.000 1.452 1.446) 2.049 5.694 ( 0.000 0.086 -0.075) 0.114 6.390 ( 0.000 2.761 2.473) 3.706 6.458 ( 0.000 -0.376 -0.756) 0.844 6.871 ( 0.000 4.044 0.500) 4.075 6.905 ( 0.000 1.469 0.413) 1.526 7.005 ( 0.000 4.599 -2.596) 5.281 7.036 ( 0.000 2.382 -2.687) 3.591 7.208 ( 0.000 0.141 -0.907) 0.918 7.222 ( 0.000 -0.971 -1.047) 1.428 7.532 ( 0.000 -3.481 1.588) 3.826 7.549 ( 0.000 -3.902 0.890) 4.003 7.761 ( 0.000 0.352 0.927) 0.991 7.805 ( 0.000 -1.714 -0.930) 1.950 8.099 ( 0.000 4.308 4.793) 6.445 8.171 ( 0.000 0.607 0.026) 0.608 8.303 ( 0.000 3.501 2.583) 4.351 8.334 ( 0.000 1.049 -0.236) 1.075 8.590 ( 0.000 4.873 -3.041) 5.744 8.606 ( 0.000 4.442 -3.877) 5.896 9.284 ( 0.000 2.490 -0.189) 2.497 9.289 ( 0.000 2.727 -0.691) 2.814 9.374 ( 0.000 0.616 0.179) 0.641 9.387 ( 0.000 0.596 -0.494) 0.774 9.545 ( 0.000 -0.171 0.808) 0.826 9.551 ( 0.000 -1.620 0.520) 1.701 9.668 ( 0.000 3.331 4.837) 5.873 9.812 ( 0.000 -2.505 -0.441) 2.543 10.140 ( 0.000 1.186 -1.515) 1.924 10.192 ( 0.000 -1.197 -2.701) 2.954 12.102 ( 0.000 0.444 1.286) 1.361 12.115 ( 0.000 -0.034 0.994) 0.995 12.343 ( 0.000 2.132 0.068) 2.133 12.408 ( 0.000 -0.911 -2.526) 2.685 13.497 ( 0.000 1.359 1.239) 1.839 13.537 ( 0.000 -0.709 -0.310) 0.774 13.853 ( 0.000 2.647 -0.440) 2.683 13.885 ( 0.000 1.089 -1.642) 1.971 15.105 ( 0.000 0.316 0.261) 0.410 15.107 ( 0.000 0.170 0.205) 0.267 15.238 ( 0.000 1.018 0.759) 1.270 15.269 ( 0.000 -0.544 -0.819) 0.983 15.472 ( 0.000 -1.413 0.344) 1.454 15.479 ( 0.000 -1.647 0.237) 1.664 15.894 ( 0.000 0.627 0.353) 0.719 15.903 ( 0.000 0.181 -0.106) 0.209 17.617 ( 0.000 -0.078 0.242) 0.255 17.622 ( 0.000 -0.372 0.046) 0.375 17.688 ( 0.000 -1.369 0.242) 1.390 17.689 ( 0.000 -1.225 0.363) 1.278 18.097 ( 0.000 1.861 2.510) 3.125 18.120 ( 0.000 -0.214 0.820) 0.847 18.160 ( 0.000 -2.244 -0.806) 2.385 18.224 ( 0.000 -3.681 -3.042) 4.775 18.312 ( 0.000 -0.521 0.293) 0.598 18.334 ( 0.000 -2.042 -0.271) 2.060 18.405 ( 0.000 0.977 1.093) 1.466 18.439 ( 0.000 -0.694 -0.493) 0.851 18.568 ( 0.000 -1.502 0.148) 1.509 18.574 ( 0.000 -1.954 -0.196) 1.964 18.948 ( 0.000 -0.605 0.148) 0.622 18.960 ( 0.000 -1.111 -0.377) 1.173 19.446 ( 0.000 -0.548 0.148) 0.567 19.454 ( 0.000 -1.157 -0.201) 1.175 19.888 ( 0.000 -1.289 0.065) 1.291 19.892 ( 0.000 -1.463 -0.081) 1.465 ======================= Grid point 91 (38/63) ======================= q-point: ( 0.20 0.42 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.283 ( -1.623 3.503 5.850) 7.009 1.488 ( 1.532 -1.732 -3.617) 4.293 1.558 ( -4.333 2.123 -2.249) 5.323 1.651 ( 0.594 3.417 1.411) 3.744 1.727 ( 3.015 3.073 -3.756) 5.713 1.809 ( 3.855 5.242 -1.716) 6.730 1.885 ( -1.991 0.151 -6.018) 6.340 1.913 ( -1.138 4.470 -4.026) 6.123 2.041 ( 3.816 3.627 0.957) 5.351 2.105 ( 4.848 2.997 -1.759) 5.964 2.212 ( -5.667 -4.205 5.959) 9.236 2.364 ( -0.561 -0.880 7.712) 7.782 2.387 ( -2.425 -4.896 0.939) 5.544 2.543 ( -3.291 3.618 -1.636) 5.157 2.596 ( -0.930 -3.777 5.974) 7.129 2.761 ( -0.089 -2.963 -4.932) 5.754 2.816 ( -2.699 -3.208 0.800) 4.267 2.945 ( -0.031 -2.208 -2.825) 3.586 3.043 ( -9.206 1.418 -0.492) 9.327 3.083 ( -7.012 1.691 -0.994) 7.282 3.277 ( -3.206 3.125 2.708) 5.232 3.299 ( -1.312 1.592 1.763) 2.714 3.423 ( -3.219 5.703 0.660) 6.582 3.512 ( -6.321 2.511 -2.115) 7.123 3.734 ( 8.164 8.409 3.848) 12.336 3.921 ( 3.713 1.449 -0.723) 4.051 3.975 ( 4.618 3.111 -2.745) 6.207 4.013 ( 4.798 2.903 -2.989) 6.355 4.164 ( 11.988 2.785 1.080) 12.354 4.207 ( 9.369 3.174 -2.546) 10.214 4.342 ( 13.616 -0.167 1.967) 13.759 4.474 ( 4.743 -2.095 -3.476) 6.242 4.522 ( 0.816 3.764 5.343) 6.586 4.595 ( -2.600 0.241 -0.012) 2.612 4.687 ( -1.333 0.527 2.874) 3.212 4.718 ( -2.424 -0.757 1.950) 3.202 4.800 ( -5.408 2.460 0.207) 5.945 4.879 ( -7.031 -0.166 -1.663) 7.227 5.300 ( -2.407 1.458 -0.426) 2.847 5.325 ( -2.097 0.071 -1.631) 2.658 5.461 ( 14.534 0.167 0.337) 14.538 5.501 ( 15.282 -1.077 -1.148) 15.362 5.670 ( 1.422 1.219 1.013) 2.130 5.713 ( 2.284 0.191 -0.358) 2.320 6.309 ( -5.691 2.291 1.715) 6.370 6.353 ( -7.713 0.156 -0.316) 7.721 6.785 ( -10.141 2.605 0.345) 10.476 6.830 ( -12.889 0.489 -0.409) 12.905 7.004 ( 6.296 3.336 -0.962) 7.190 7.081 ( 4.846 1.632 -2.415) 5.655 7.236 ( 2.133 3.787 0.502) 4.375 7.273 ( 2.571 2.135 -1.467) 3.650 7.524 ( -1.169 -2.992 1.203) 3.430 7.560 ( 1.080 -3.383 0.463) 3.581 7.720 ( -3.286 -0.367 1.890) 3.809 7.754 ( -4.090 -1.779 0.835) 4.538 8.122 ( 0.646 4.467 3.032) 5.438 8.197 ( -3.306 2.051 1.390) 4.131 8.251 ( 2.784 1.868 -2.102) 3.957 8.378 ( 0.927 1.055 -1.862) 2.332 8.519 ( -3.713 3.130 -1.438) 5.065 8.580 ( -2.529 2.598 -1.785) 4.041 9.060 ( -15.020 0.968 0.414) 15.057 9.075 ( -16.328 1.076 0.194) 16.364 9.344 ( -0.844 2.401 1.086) 2.767 9.419 ( 2.420 1.870 0.132) 3.061 9.576 ( -0.610 3.632 1.231) 3.883 9.649 ( 2.270 0.483 -0.135) 2.325 9.814 ( 11.134 0.202 1.451) 11.230 9.888 ( 8.779 -2.622 0.028) 9.162 10.143 ( 0.188 0.948 -1.254) 1.583 10.202 ( 0.519 -1.451 -2.559) 2.987 12.104 ( 0.601 0.345 1.054) 1.262 12.149 ( 2.920 0.205 1.322) 3.211 12.328 ( -1.554 1.792 -0.436) 2.412 12.397 ( -1.047 -0.280 -1.988) 2.264 13.535 ( 3.827 1.250 1.020) 4.153 13.574 ( 3.727 -0.363 -0.208) 3.751 13.833 ( -2.157 2.280 -0.489) 3.177 13.864 ( -2.126 1.135 -1.402) 2.788 15.099 ( 0.025 0.317 0.527) 0.616 15.117 ( 0.706 -0.388 -0.248) 0.843 15.217 ( -2.178 0.909 0.849) 2.508 15.248 ( -2.247 -0.595 -0.619) 2.406 15.497 ( 3.059 -0.668 0.604) 3.189 15.521 ( 3.976 -1.544 -0.293) 4.275 15.843 ( -5.009 0.651 0.441) 5.070 15.858 ( -4.442 0.049 -0.124) 4.444 17.658 ( 3.632 0.010 0.148) 3.635 17.666 ( 3.949 -0.240 -0.109) 3.958 17.700 ( 1.362 -0.814 0.384) 1.632 17.712 ( 2.000 -1.248 0.064) 2.358 18.095 ( -0.264 1.554 1.854) 2.433 18.119 ( -0.189 -0.015 1.011) 1.029 18.151 ( -0.813 -1.824 -0.633) 2.095 18.179 ( -3.306 -1.518 -1.211) 3.834 18.319 ( 0.356 -1.036 0.297) 1.134 18.334 ( 0.340 -1.736 -0.724) 1.912 18.392 ( -1.765 0.157 0.289) 1.795 18.434 ( -0.470 -1.359 -0.676) 1.588 18.581 ( 2.303 -1.173 0.875) 2.728 18.621 ( 3.883 -3.310 -0.780) 5.161 18.902 ( -4.662 -0.727 0.323) 4.730 18.922 ( -3.914 -1.779 -0.533) 4.332 19.506 ( 5.534 -0.962 -0.008) 5.617 19.507 ( 5.657 -1.002 -0.051) 5.745 19.857 ( -3.316 -1.304 0.071) 3.563 19.861 ( -3.273 -1.467 -0.082) 3.588 ======================= Grid point 92 (39/63) ======================= q-point: ( 0.40 0.42 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.314 ( 4.784 4.050 6.045) 8.708 1.434 ( -6.100 4.197 1.187) 7.499 1.502 ( -1.544 2.901 -3.347) 4.691 1.658 ( -0.013 -0.005 -3.742) 3.742 1.795 ( 3.070 1.555 -4.915) 6.000 1.821 ( -0.065 3.737 -0.657) 3.795 1.881 ( -0.157 0.901 -5.081) 5.163 1.915 ( 0.082 4.444 -1.386) 4.656 2.091 ( -0.742 -3.417 4.709) 5.865 2.156 ( 3.427 3.898 2.996) 5.993 2.200 ( 2.519 5.284 0.021) 5.854 2.308 ( -2.020 0.285 -1.766) 2.698 2.404 ( -2.897 3.503 0.975) 4.649 2.446 ( 2.008 -1.828 1.429) 3.069 2.580 ( -4.574 -1.413 6.557) 8.118 2.710 ( -0.646 -2.585 -0.198) 2.671 2.803 ( -9.147 -0.429 0.828) 9.195 2.851 ( 2.383 -6.332 -2.247) 7.129 2.906 ( -3.351 -3.161 -3.276) 5.653 3.018 ( -1.143 -3.803 -2.305) 4.592 3.236 ( -1.385 3.613 4.883) 6.230 3.300 ( 1.316 4.501 3.439) 5.815 3.406 ( -0.008 3.895 -0.720) 3.961 3.428 ( -2.936 2.638 -1.565) 4.246 3.890 ( 7.229 3.463 -0.012) 8.016 3.971 ( 2.362 1.898 -2.927) 4.213 4.021 ( -1.013 2.147 -3.364) 4.117 4.070 ( 0.612 2.041 -2.827) 3.540 4.321 ( 4.001 2.003 0.473) 4.499 4.360 ( 5.081 2.301 -0.589) 5.609 4.442 ( -3.067 1.864 2.141) 4.179 4.476 ( -3.343 2.503 0.968) 4.287 4.559 ( 0.755 0.954 5.817) 5.943 4.591 ( 2.486 1.227 4.612) 5.381 4.724 ( 4.427 3.850 -1.004) 5.952 4.788 ( -2.575 1.319 -2.414) 3.768 4.850 ( 16.229 1.096 0.402) 16.271 4.894 ( 14.509 -0.697 -1.185) 14.574 5.163 ( -12.869 1.650 0.095) 12.975 5.195 ( -12.665 0.100 -1.080) 12.711 5.660 ( 5.318 -0.036 0.812) 5.379 5.683 ( 2.094 -0.517 1.019) 2.386 5.733 ( 5.404 0.409 -2.329) 5.899 5.768 ( 1.819 -0.094 -2.375) 2.993 6.277 ( 2.570 0.947 1.059) 2.936 6.312 ( 6.396 0.991 1.040) 6.555 6.542 ( -14.840 0.446 -0.191) 14.848 6.566 ( -11.619 0.296 -0.258) 11.626 7.122 ( 5.034 3.975 -0.556) 6.438 7.175 ( 4.470 4.085 -0.707) 6.097 7.246 ( -1.586 4.447 1.100) 4.847 7.275 ( -2.283 3.984 0.362) 4.606 7.516 ( 0.670 -1.612 -0.817) 1.927 7.568 ( -0.070 -2.819 -1.633) 3.259 7.669 ( -1.901 -1.333 3.967) 4.597 7.696 ( -1.433 -1.399 4.801) 5.202 8.102 ( -1.242 2.889 -4.544) 5.526 8.133 ( -1.972 1.914 -4.787) 5.520 8.281 ( -1.199 2.298 1.534) 3.012 8.327 ( -3.318 2.548 0.506) 4.214 8.560 ( 6.711 1.365 0.214) 6.851 8.607 ( 5.636 -0.676 -1.648) 5.911 8.794 ( -12.057 0.987 1.782) 12.227 8.815 ( -10.476 -0.119 0.881) 10.513 9.341 ( 0.195 3.485 1.241) 3.705 9.466 ( 2.027 3.557 3.964) 5.699 9.549 ( -1.246 3.651 -3.186) 5.003 9.635 ( -1.830 1.321 -0.987) 2.463 9.986 ( 6.347 -0.453 1.827) 6.620 10.045 ( 4.834 -1.677 1.359) 5.294 10.144 ( 0.801 0.225 -2.357) 2.499 10.190 ( -2.120 -1.606 -2.729) 3.810 12.118 ( 0.587 0.399 0.944) 1.181 12.211 ( 3.198 0.463 2.873) 4.324 12.287 ( -2.551 1.024 -2.656) 3.823 12.378 ( -0.716 0.859 -1.012) 1.509 13.616 ( 3.493 0.838 0.459) 3.621 13.665 ( 5.449 0.548 0.536) 5.503 13.769 ( -4.549 1.381 -1.072) 4.873 13.817 ( -2.237 1.372 -0.888) 2.770 15.115 ( 1.735 0.281 0.647) 1.873 15.141 ( 1.918 -0.866 -0.442) 2.151 15.164 ( -2.943 0.543 0.810) 3.100 15.193 ( -3.178 -0.798 -0.459) 3.309 15.577 ( 4.492 0.213 0.287) 4.506 15.615 ( 5.599 -0.799 -0.570) 5.685 15.729 ( -6.471 0.523 0.675) 6.528 15.761 ( -4.861 -0.268 0.042) 4.868 17.714 ( 1.543 0.156 -0.044) 1.551 17.730 ( 1.929 -0.138 -0.363) 1.967 17.732 ( 1.552 -0.323 0.281) 1.610 17.753 ( 1.744 -0.615 -0.057) 1.850 18.092 ( 0.212 0.632 1.160) 1.338 18.109 ( -0.939 -0.199 1.071) 1.439 18.129 ( -0.854 0.793 -0.070) 1.167 18.145 ( -0.500 -1.671 -0.199) 1.755 18.324 ( 0.411 -1.158 0.347) 1.277 18.346 ( 0.215 -1.533 -0.768) 1.729 18.356 ( -1.186 -0.342 -0.195) 1.250 18.419 ( -0.845 -1.215 -0.591) 1.593 18.654 ( 5.197 -1.255 1.201) 5.479 18.705 ( 4.442 -3.596 -0.533) 5.740 18.792 ( -5.871 -1.673 0.165) 6.107 18.827 ( -5.619 -3.328 -1.061) 6.617 19.633 ( 7.469 -1.099 0.141) 7.551 19.640 ( 7.549 -1.357 -0.175) 7.672 19.766 ( -6.229 -1.261 0.123) 6.356 19.772 ( -6.065 -1.480 -0.123) 6.244 ======================= Grid point 95 (40/63) ======================= q-point: ( 0.00 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 42 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.373 ( 0.000 -3.097 0.799) 3.198 1.373 ( 0.000 3.099 0.799) 3.200 1.663 ( 0.000 -1.419 3.508) 3.785 1.663 ( 0.000 1.420 3.508) 3.785 1.769 ( 0.000 -3.906 -3.719) 5.393 1.769 ( 0.000 3.908 -3.718) 5.394 1.940 ( 0.000 -2.798 -5.655) 6.309 1.941 ( 0.000 2.799 -5.655) 6.309 2.085 ( 0.000 -0.228 -4.305) 4.311 2.085 ( 0.000 0.229 -4.305) 4.311 2.268 ( 0.000 -0.173 4.409) 4.413 2.268 ( 0.000 0.175 4.409) 4.413 2.429 ( 0.000 -1.473 3.536) 3.830 2.429 ( 0.000 1.476 3.535) 3.831 2.686 ( 0.000 -1.771 -0.516) 1.844 2.686 ( 0.000 1.773 -0.516) 1.846 2.875 ( 0.000 -0.701 0.575) 0.907 2.875 ( 0.000 0.703 0.574) 0.908 3.175 ( 0.000 0.000 -1.357) 1.357 3.175 ( 0.000 0.002 -1.357) 1.357 3.314 ( 0.000 -0.966 0.699) 1.192 3.314 ( 0.000 0.968 0.699) 1.194 3.703 ( 0.000 -2.909 0.703) 2.993 3.703 ( 0.000 2.913 0.704) 2.997 3.742 ( 0.000 -1.216 1.871) 2.232 3.742 ( 0.000 1.221 1.873) 2.235 3.990 ( 0.000 -2.223 0.149) 2.228 3.990 ( 0.000 2.226 0.150) 2.231 4.046 ( 0.000 -5.394 3.105) 6.224 4.046 ( 0.000 5.395 3.104) 6.224 4.305 ( 0.000 -7.783 -8.600) 11.599 4.305 ( 0.000 7.785 -8.599) 11.600 4.580 ( 0.000 -1.977 3.509) 4.028 4.580 ( 0.000 1.978 3.509) 4.028 4.724 ( 0.000 -0.720 1.598) 1.753 4.724 ( 0.000 0.721 1.598) 1.753 4.987 ( 0.000 -0.898 0.959) 1.314 4.987 ( 0.000 0.900 0.959) 1.315 5.262 ( 0.000 -0.180 -0.604) 0.630 5.262 ( 0.000 0.182 -0.604) 0.631 5.335 ( 0.000 -0.064 -1.571) 1.573 5.335 ( 0.000 0.065 -1.571) 1.573 5.683 ( 0.000 -1.027 0.854) 1.336 5.683 ( 0.000 1.030 0.855) 1.338 6.436 ( 0.000 -1.728 1.096) 2.046 6.436 ( 0.000 1.730 1.096) 2.048 6.912 ( 0.000 -0.385 0.219) 0.444 6.912 ( 0.000 0.388 0.219) 0.446 7.061 ( 0.000 -0.235 -2.469) 2.480 7.061 ( 0.000 0.238 -2.468) 2.480 7.212 ( 0.000 -0.081 -1.380) 1.382 7.212 ( 0.000 0.082 -1.380) 1.382 7.499 ( 0.000 -0.468 1.403) 1.479 7.499 ( 0.000 0.469 1.403) 1.479 7.776 ( 0.000 -1.091 0.104) 1.096 7.776 ( 0.000 1.092 0.104) 1.097 8.161 ( 0.000 -1.651 1.938) 2.545 8.161 ( 0.000 1.654 1.939) 2.549 8.342 ( 0.000 -0.150 1.760) 1.766 8.342 ( 0.000 0.152 1.760) 1.767 8.647 ( 0.000 -0.265 -3.734) 3.744 8.647 ( 0.000 0.268 -3.734) 3.744 9.317 ( 0.000 -0.089 -1.060) 1.064 9.317 ( 0.000 0.090 -1.060) 1.064 9.383 ( 0.000 -0.305 0.379) 0.486 9.383 ( 0.000 0.308 0.378) 0.488 9.534 ( 0.000 -0.005 1.090) 1.090 9.534 ( 0.000 0.005 1.090) 1.090 9.748 ( 0.000 -3.776 2.270) 4.406 9.748 ( 0.000 3.779 2.271) 4.409 10.166 ( 0.000 -1.310 -2.339) 2.681 10.166 ( 0.000 1.312 -2.339) 2.682 12.111 ( 0.000 -0.172 1.256) 1.267 12.111 ( 0.000 0.172 1.256) 1.268 12.382 ( 0.000 -1.573 -1.382) 2.094 12.382 ( 0.000 1.573 -1.382) 2.094 13.520 ( 0.000 -0.968 0.490) 1.085 13.520 ( 0.000 0.969 0.490) 1.086 13.888 ( 0.000 -0.805 -0.961) 1.253 13.888 ( 0.000 0.805 -0.961) 1.254 15.109 ( 0.000 -0.041 0.127) 0.133 15.109 ( 0.000 0.041 0.127) 0.133 15.256 ( 0.000 -0.778 -0.138) 0.790 15.256 ( 0.000 0.778 -0.138) 0.790 15.459 ( 0.000 -0.168 0.547) 0.572 15.459 ( 0.000 0.169 0.547) 0.573 15.903 ( 0.000 -0.217 0.198) 0.294 15.903 ( 0.000 0.218 0.198) 0.294 17.618 ( 0.000 -0.078 0.063) 0.100 17.618 ( 0.000 0.078 0.063) 0.100 17.674 ( 0.000 -0.042 0.475) 0.476 17.674 ( 0.000 0.042 0.475) 0.476 18.126 ( 0.000 -0.744 -0.059) 0.746 18.126 ( 0.000 0.744 -0.059) 0.746 18.153 ( 0.000 -3.079 -0.876) 3.201 18.153 ( 0.000 3.079 -0.876) 3.201 18.309 ( 0.000 -0.438 0.271) 0.515 18.309 ( 0.000 0.438 0.271) 0.515 18.424 ( 0.000 -0.789 0.294) 0.842 18.424 ( 0.000 0.789 0.294) 0.842 18.553 ( 0.000 -0.113 -0.019) 0.115 18.553 ( 0.000 0.113 -0.019) 0.115 18.946 ( 0.000 -0.330 -0.103) 0.346 18.946 ( 0.000 0.330 -0.103) 0.346 19.442 ( 0.000 -0.147 -0.013) 0.148 19.442 ( 0.000 0.147 -0.013) 0.148 19.876 ( 0.000 -0.080 0.000) 0.080 19.876 ( 0.000 0.080 0.000) 0.080 ======================= Grid point 97 (41/63) ======================= q-point: ( 0.20 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.379 ( -0.643 0.002 2.123) 2.218 1.386 ( 2.808 -0.001 1.365) 3.122 1.586 ( -3.622 0.000 -1.591) 3.956 1.687 ( 0.807 0.001 2.826) 2.939 1.795 ( 3.624 0.001 -4.129) 5.494 1.832 ( -4.471 0.000 -12.764) 13.524 1.899 ( 3.565 0.001 0.750) 3.643 1.941 ( -0.020 0.001 -1.533) 1.534 2.090 ( 1.654 0.001 0.783) 1.830 2.166 ( 4.914 0.004 -3.081) 5.800 2.170 ( -4.012 -0.003 3.134) 5.091 2.314 ( 0.692 0.001 1.540) 1.688 2.365 ( -1.584 0.001 6.358) 6.552 2.523 ( 3.122 0.001 6.327) 7.056 2.600 ( -3.655 0.001 -2.644) 4.511 2.723 ( 0.716 0.001 -1.413) 1.584 2.789 ( -5.963 0.001 1.498) 6.148 2.898 ( -0.653 0.001 -0.090) 0.659 3.078 ( -8.834 0.003 -2.236) 9.112 3.083 ( -11.590 0.000 -1.874) 11.741 3.304 ( 0.917 0.002 0.905) 1.289 3.314 ( -1.598 0.001 1.678) 2.317 3.498 ( -6.668 0.001 -0.466) 6.684 3.520 ( -6.134 0.003 -0.197) 6.137 3.877 ( 3.729 0.006 1.886) 4.179 3.898 ( 5.154 -0.003 2.860) 5.894 4.012 ( 3.630 0.001 -1.849) 4.073 4.036 ( 5.039 0.001 -1.032) 5.143 4.211 ( 10.247 -0.001 0.586) 10.264 4.218 ( 12.343 0.003 1.041) 12.387 4.387 ( 10.774 0.000 -3.347) 11.282 4.412 ( 9.878 0.002 -4.556) 10.878 4.577 ( -2.440 0.001 1.645) 2.943 4.583 ( 0.327 0.000 2.792) 2.811 4.701 ( 0.771 0.001 2.657) 2.766 4.703 ( -3.066 0.000 2.635) 4.043 4.833 ( -5.893 0.001 -0.641) 5.928 4.870 ( -6.575 0.001 -0.350) 6.584 5.319 ( -2.384 -0.001 -1.168) 2.654 5.321 ( -2.167 0.002 -1.198) 2.476 5.469 ( 14.369 0.001 -0.375) 14.374 5.485 ( 14.750 0.001 -0.376) 14.755 5.687 ( 1.011 0.002 0.426) 1.097 5.711 ( 2.570 0.001 0.370) 2.596 6.342 ( -6.826 0.001 0.767) 6.869 6.345 ( -6.450 0.001 0.821) 6.503 6.809 ( -11.661 0.001 -0.032) 11.661 6.831 ( -13.574 0.001 0.151) 13.575 7.037 ( 6.333 0.002 -1.868) 6.603 7.099 ( 6.049 0.001 -1.787) 6.307 7.291 ( 3.178 -0.001 -0.708) 3.256 7.293 ( 4.522 0.004 -0.830) 4.598 7.487 ( -0.466 0.001 1.210) 1.297 7.519 ( 1.610 0.000 0.868) 1.829 7.722 ( -4.289 0.002 1.211) 4.456 7.728 ( -3.951 -0.001 1.284) 4.154 8.177 ( 0.537 0.003 1.227) 1.339 8.206 ( -1.462 0.000 4.267) 4.510 8.277 ( 1.061 0.000 -4.116) 4.251 8.386 ( 1.350 0.001 -0.225) 1.368 8.552 ( -5.717 0.002 -2.338) 6.176 8.607 ( -4.258 0.001 -1.409) 4.485 9.071 ( -15.578 0.001 0.374) 15.583 9.088 ( -16.574 0.001 0.326) 16.578 9.369 ( 0.173 0.002 0.652) 0.674 9.437 ( 3.410 0.001 0.851) 3.515 9.611 ( 2.053 0.000 -0.236) 2.067 9.658 ( 0.800 0.002 0.273) 0.845 9.835 ( 8.529 -0.004 1.708) 8.698 9.840 ( 11.152 0.005 1.229) 11.219 10.161 ( -0.075 0.001 -2.327) 2.329 10.179 ( 0.357 0.001 -2.135) 2.164 12.108 ( 0.616 0.000 1.093) 1.255 12.151 ( 3.048 0.000 1.540) 3.415 12.350 ( -2.312 0.000 -1.582) 2.801 12.391 ( -0.021 0.000 -1.133) 1.134 13.552 ( 3.409 0.000 0.398) 3.432 13.567 ( 4.376 0.001 0.449) 4.399 13.859 ( -2.825 0.000 -0.916) 2.970 13.874 ( -1.796 0.000 -0.865) 1.993 15.107 ( 0.157 0.001 0.077) 0.175 15.108 ( 0.095 -0.001 0.081) 0.125 15.234 ( -2.315 0.000 0.060) 2.316 15.235 ( -2.330 -0.000 0.052) 2.331 15.493 ( 3.712 0.000 0.322) 3.726 15.502 ( 4.182 0.000 0.315) 4.194 15.851 ( -4.994 0.000 0.253) 5.001 15.857 ( -4.577 0.000 0.251) 4.584 17.659 ( 3.660 0.000 0.008) 3.660 17.663 ( 3.992 0.000 -0.037) 3.992 17.691 ( 1.789 0.000 0.367) 1.826 17.699 ( 2.259 0.000 0.329) 2.283 18.123 ( -0.423 0.000 -0.004) 0.423 18.125 ( -0.255 0.000 -0.051) 0.260 18.128 ( -1.600 0.000 -0.301) 1.628 18.151 ( -0.631 0.000 -0.390) 0.742 18.309 ( 0.302 0.000 -0.040) 0.304 18.313 ( 0.136 0.000 -0.077) 0.156 18.399 ( -1.977 0.000 0.263) 1.995 18.417 ( -0.931 0.000 0.257) 0.966 18.576 ( 2.495 0.000 -0.067) 2.496 18.580 ( 2.771 0.000 -0.060) 2.772 18.899 ( -4.681 0.000 -0.081) 4.682 18.900 ( -4.727 -0.000 -0.081) 4.728 19.497 ( 5.476 -0.050 -0.020) 5.476 19.497 ( 5.476 0.050 -0.020) 5.476 19.845 ( -3.295 -0.089 0.001) 3.296 19.845 ( -3.294 0.089 0.001) 3.296 ======================= Grid point 99 (42/63) ======================= q-point: ( 0.40 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.365 ( -0.407 0.001 1.958) 1.999 1.471 ( 5.248 0.000 0.853) 5.317 1.536 ( -1.703 0.000 -6.343) 6.567 1.647 ( -5.262 0.001 -6.206) 8.137 1.802 ( 3.931 0.001 -0.482) 3.961 1.844 ( 1.363 0.001 0.817) 1.589 1.905 ( -4.339 0.001 0.287) 4.348 1.955 ( 0.574 0.001 -0.240) 0.622 2.044 ( -2.506 0.003 3.568) 4.360 2.250 ( 8.013 0.004 -0.685) 8.042 2.253 ( 4.204 -0.002 1.133) 4.354 2.320 ( -2.145 0.000 3.627) 4.214 2.384 ( 6.073 0.001 -2.389) 6.526 2.448 ( -6.581 0.001 3.320) 7.371 2.630 ( -9.495 -0.001 5.958) 11.209 2.656 ( 5.533 0.003 1.087) 5.639 2.752 ( 1.309 0.001 -4.922) 5.093 2.801 ( -8.268 0.002 -1.154) 8.349 2.861 ( -7.898 0.002 -1.509) 8.041 2.968 ( -1.740 0.002 -3.768) 4.151 3.273 ( -1.393 0.002 3.896) 4.137 3.343 ( 2.234 0.002 2.987) 3.730 3.448 ( -2.447 0.002 -1.191) 2.721 3.453 ( -0.326 0.003 -0.890) 0.948 3.939 ( 2.663 0.001 -1.137) 2.896 3.984 ( 4.488 0.000 -0.796) 4.558 4.046 ( -0.957 0.001 -2.516) 2.691 4.090 ( 0.648 0.001 -1.953) 2.057 4.344 ( 3.884 0.001 -0.382) 3.903 4.382 ( 4.455 0.001 -1.384) 4.665 4.466 ( -3.757 0.001 1.856) 4.191 4.502 ( -3.684 0.001 1.495) 3.976 4.569 ( 1.911 0.001 6.160) 6.449 4.602 ( 4.727 0.001 4.757) 6.707 4.774 ( 1.565 -0.000 -1.917) 2.475 4.793 ( -1.349 0.002 -1.805) 2.254 4.871 ( 16.306 0.002 -0.434) 16.312 4.876 ( 16.606 -0.001 -0.341) 16.609 5.186 ( -12.714 -0.000 -0.648) 12.731 5.190 ( -12.843 0.002 -0.677) 12.861 5.663 ( 5.134 0.001 0.500) 5.158 5.673 ( 3.185 0.002 1.281) 3.432 5.738 ( 4.251 0.001 -2.574) 4.970 5.767 ( 2.124 0.001 -1.821) 2.798 6.286 ( 1.911 0.001 0.814) 2.078 6.323 ( 6.152 0.001 0.872) 6.214 6.545 ( -15.240 0.001 -0.070) 15.241 6.569 ( -11.122 0.001 -0.058) 11.122 7.163 ( 5.733 0.002 -0.948) 5.811 7.217 ( 5.166 0.002 -0.905) 5.244 7.295 ( -2.222 0.001 1.016) 2.443 7.319 ( -1.720 0.001 0.963) 1.972 7.498 ( 1.314 0.001 -1.485) 1.983 7.534 ( -0.187 0.000 -1.587) 1.598 7.655 ( -2.109 0.001 4.319) 4.806 7.678 ( -0.971 0.001 4.549) 4.652 8.142 ( -1.923 0.007 -5.068) 5.421 8.143 ( -2.723 -0.005 -4.401) 5.176 8.307 ( -1.056 0.001 1.494) 1.830 8.350 ( -2.931 0.001 0.999) 3.097 8.580 ( 7.015 0.001 -0.624) 7.043 8.597 ( 4.849 0.001 -0.552) 4.881 8.810 ( -11.350 -0.003 1.424) 11.439 8.811 ( -11.858 0.005 1.299) 11.929 9.378 ( 0.410 0.003 0.865) 0.958 9.503 ( 3.320 0.002 3.227) 4.630 9.590 ( -2.662 0.001 -2.647) 3.754 9.643 ( -0.928 0.002 -0.035) 0.929 9.983 ( 5.191 0.000 1.546) 5.416 10.026 ( 6.874 0.000 1.170) 6.973 10.154 ( -0.664 0.000 -2.664) 2.745 10.166 ( -1.713 0.001 -2.590) 3.105 12.122 ( 0.603 0.000 1.007) 1.174 12.216 ( 3.371 0.000 3.046) 4.544 12.298 ( -2.953 0.000 -2.961) 4.182 12.387 ( -0.256 0.000 -0.917) 0.952 13.624 ( 3.201 0.000 0.291) 3.214 13.670 ( 6.079 0.000 0.682) 6.117 13.783 ( -5.087 0.000 -1.135) 5.212 13.831 ( -2.113 0.000 -0.748) 2.241 15.123 ( 1.710 0.000 0.103) 1.713 15.125 ( 1.924 -0.000 0.091) 1.926 15.177 ( -3.282 0.000 0.145) 3.285 15.178 ( -3.189 -0.000 0.138) 3.192 15.580 ( 4.548 0.000 -0.064) 4.549 15.605 ( 6.369 0.000 -0.162) 6.372 15.735 ( -6.789 0.000 0.587) 6.814 15.757 ( -4.950 0.000 0.488) 4.974 17.715 ( 1.737 0.000 -0.148) 1.744 17.725 ( 1.718 0.000 -0.640) 1.833 17.731 ( 1.906 0.000 0.594) 1.996 17.746 ( 1.948 0.000 0.096) 1.950 18.101 ( -0.785 0.000 0.866) 1.169 18.109 ( -0.646 0.000 0.569) 0.861 18.121 ( -0.269 0.000 -0.424) 0.502 18.143 ( -0.124 0.000 -0.063) 0.139 18.314 ( -0.048 0.000 -0.615) 0.617 18.321 ( 0.781 0.000 -1.254) 1.477 18.362 ( -1.606 0.000 0.933) 1.857 18.401 ( -0.515 0.000 0.375) 0.637 18.648 ( 5.020 0.000 -0.018) 5.020 18.659 ( 5.611 0.000 0.003) 5.611 18.784 ( -6.995 0.000 -0.177) 6.997 18.787 ( -6.441 0.000 -0.168) 6.443 19.624 ( 7.386 -0.203 -0.016) 7.389 19.624 ( 7.387 0.203 -0.016) 7.389 19.755 ( -6.115 0.000 0.002) 6.115 19.755 ( -6.093 0.000 0.002) 6.093 ======================= Grid point 130 (43/63) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 42 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.572 ( 0.000 0.000 -15.934) 15.934 0.572 ( 0.000 0.000 15.934) 15.934 0.881 ( 0.000 0.000 -23.047) 23.047 0.881 ( 0.000 0.000 23.047) 23.047 1.481 ( 0.000 0.000 -0.322) 0.322 1.481 ( 0.000 0.000 0.322) 0.322 1.559 ( 0.000 0.000 -22.277) 22.277 1.559 ( 0.000 0.000 22.277) 22.277 1.764 ( 0.000 0.000 -5.922) 5.922 1.764 ( 0.000 0.000 5.922) 5.922 1.846 ( 0.000 0.000 -0.293) 0.293 1.846 ( 0.000 0.000 0.293) 0.293 2.040 ( 0.000 0.000 -18.773) 18.773 2.040 ( 0.000 0.000 18.773) 18.773 2.171 ( 0.000 0.000 -2.534) 2.534 2.171 ( 0.000 0.000 2.534) 2.534 2.459 ( 0.000 0.000 -12.925) 12.925 2.459 ( 0.000 0.000 12.925) 12.925 2.634 ( 0.000 0.000 -1.528) 1.528 2.634 ( 0.000 0.000 1.528) 1.528 3.313 ( 0.000 0.000 -1.421) 1.421 3.313 ( 0.000 0.000 1.421) 1.421 3.581 ( 0.000 0.000 -0.530) 0.530 3.581 ( 0.000 0.000 0.530) 0.530 3.654 ( 0.000 0.000 -0.251) 0.251 3.654 ( 0.000 0.000 0.251) 0.251 3.800 ( 0.000 0.000 -1.108) 1.108 3.800 ( 0.000 0.000 1.108) 1.108 3.882 ( 0.000 0.000 -0.756) 0.756 3.882 ( 0.000 0.000 0.756) 0.756 4.267 ( 0.000 0.000 -3.718) 3.718 4.267 ( 0.000 0.000 3.718) 3.718 4.431 ( 0.000 0.000 -0.823) 0.823 4.431 ( 0.000 0.000 0.823) 0.823 4.701 ( 0.000 0.000 -0.956) 0.956 4.701 ( 0.000 0.000 0.956) 0.956 4.927 ( 0.000 0.000 -14.604) 14.604 4.927 ( 0.000 0.000 14.604) 14.604 5.223 ( 0.000 0.000 -0.992) 0.992 5.223 ( 0.000 0.000 0.992) 0.992 5.373 ( 0.000 0.000 -1.823) 1.823 5.373 ( 0.000 0.000 1.823) 1.823 5.580 ( 0.000 0.000 -0.579) 0.579 5.580 ( 0.000 0.000 0.579) 0.579 5.979 ( 0.000 0.000 -1.060) 1.060 5.979 ( 0.000 0.000 1.060) 1.060 6.163 ( 0.000 0.000 -0.463) 0.463 6.163 ( 0.000 0.000 0.463) 0.463 6.428 ( 0.000 0.000 -0.179) 0.179 6.428 ( 0.000 0.000 0.179) 0.179 7.294 ( 0.000 0.000 -4.105) 4.105 7.294 ( 0.000 0.000 4.105) 4.105 7.594 ( 0.000 0.000 -1.998) 1.998 7.594 ( 0.000 0.000 1.998) 1.998 7.640 ( 0.000 0.000 -1.597) 1.597 7.640 ( 0.000 0.000 1.597) 1.597 8.003 ( 0.000 0.000 -0.170) 0.170 8.003 ( 0.000 0.000 0.170) 0.170 8.058 ( 0.000 0.000 -2.994) 2.994 8.058 ( 0.000 0.000 2.994) 2.994 8.462 ( 0.000 0.000 -10.954) 10.954 8.462 ( 0.000 0.000 10.954) 10.954 8.822 ( 0.000 0.000 -0.693) 0.693 8.822 ( 0.000 0.000 0.693) 0.693 9.019 ( 0.000 0.000 -0.202) 0.202 9.019 ( 0.000 0.000 0.202) 0.202 9.273 ( 0.000 0.000 -0.352) 0.352 9.273 ( 0.000 0.000 0.352) 0.352 9.818 ( 0.000 0.000 -0.185) 0.185 9.818 ( 0.000 0.000 0.185) 0.185 10.247 ( 0.000 0.000 -5.908) 5.908 10.247 ( 0.000 0.000 5.908) 5.908 12.100 ( 0.000 0.000 -0.468) 0.468 12.100 ( 0.000 0.000 0.468) 0.468 12.316 ( 0.000 0.000 -7.480) 7.480 12.316 ( 0.000 0.000 7.480) 7.480 13.293 ( 0.000 0.000 -0.169) 0.169 13.293 ( 0.000 0.000 0.169) 0.169 13.636 ( 0.000 0.000 -4.280) 4.280 13.636 ( 0.000 0.000 4.280) 4.280 15.098 ( 0.000 0.000 -0.417) 0.417 15.098 ( 0.000 0.000 0.417) 0.417 15.236 ( 0.000 0.000 -6.301) 6.301 15.236 ( 0.000 0.000 6.301) 6.301 15.660 ( 0.000 0.000 -1.275) 1.275 15.660 ( 0.000 0.000 1.275) 1.275 15.871 ( 0.000 0.000 -0.862) 0.862 15.871 ( 0.000 0.000 0.862) 0.862 17.682 ( 0.000 0.000 -0.941) 0.941 17.682 ( 0.000 0.000 0.941) 0.941 17.776 ( 0.000 0.000 -1.373) 1.373 17.776 ( 0.000 0.000 1.373) 1.373 18.308 ( 0.000 0.000 -5.988) 5.988 18.308 ( 0.000 0.000 5.988) 5.988 18.308 ( 0.000 0.000 -6.310) 6.310 18.308 ( 0.000 0.000 6.310) 6.310 18.491 ( 0.000 0.000 -2.533) 2.533 18.491 ( 0.000 0.000 2.533) 2.533 18.780 ( 0.000 0.000 -1.541) 1.541 18.780 ( 0.000 0.000 1.541) 1.541 19.067 ( 0.000 0.000 -3.213) 3.213 19.067 ( 0.000 0.000 3.213) 3.213 19.073 ( 0.000 0.000 -1.146) 1.146 19.073 ( 0.000 0.000 1.146) 1.146 19.853 ( 0.000 0.000 -0.883) 0.883 19.853 ( 0.000 0.000 0.883) 0.883 20.128 ( 0.000 0.000 -0.430) 0.430 20.128 ( 0.000 0.000 0.430) 0.430 ======================= Grid point 132 (44/63) ======================= q-point: ( 0.20 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.656 ( 7.688 0.000 -13.157) 15.239 0.656 ( 7.688 0.000 13.157) 15.239 0.764 ( -8.059 0.000 -26.114) 27.329 0.764 ( -8.059 0.000 26.114) 27.329 1.392 ( -7.255 0.000 -6.913) 10.021 1.392 ( -7.255 0.000 6.913) 10.021 1.529 ( -5.196 0.000 -11.485) 12.605 1.529 ( -5.196 0.000 11.485) 12.605 1.766 ( -2.884 0.000 -7.268) 7.819 1.766 ( -2.884 0.000 7.268) 7.819 1.826 ( 3.002 0.000 -2.446) 3.873 1.826 ( 3.002 0.000 2.446) 3.873 2.058 ( -6.525 0.000 -3.471) 7.391 2.058 ( -6.525 0.000 3.471) 7.391 2.193 ( 8.963 0.000 -18.644) 20.686 2.193 ( 8.963 0.000 18.644) 20.686 2.475 ( 2.336 0.000 -16.063) 16.232 2.475 ( 2.336 0.000 16.063) 16.232 2.772 ( 11.240 0.000 -14.880) 18.648 2.772 ( 11.240 0.000 14.880) 18.648 3.222 ( -9.010 0.000 -14.295) 16.898 3.222 ( -9.010 0.000 14.295) 16.898 3.441 ( -8.917 0.000 -9.204) 12.815 3.441 ( -8.917 0.000 9.204) 12.815 3.744 ( 5.173 0.000 -0.787) 5.233 3.744 ( 5.173 0.000 0.787) 5.233 3.900 ( 1.251 0.000 -2.035) 2.389 3.900 ( 1.251 0.000 2.035) 2.389 4.021 ( 18.613 0.000 -1.790) 18.699 4.021 ( 18.613 0.000 1.790) 18.699 4.273 ( 0.603 0.000 -6.132) 6.162 4.273 ( 0.603 0.000 6.132) 6.162 4.420 ( -1.039 0.000 -1.344) 1.699 4.420 ( -1.039 0.000 1.344) 1.699 4.633 ( -6.003 0.000 -2.008) 6.330 4.633 ( -6.003 0.000 2.008) 6.330 4.802 ( -7.591 0.000 -9.768) 12.371 4.802 ( -7.591 0.000 9.768) 12.371 5.137 ( -5.297 0.000 -3.038) 6.107 5.137 ( -5.297 0.000 3.038) 6.107 5.533 ( 10.906 0.000 -0.940) 10.946 5.533 ( 10.906 0.000 0.940) 10.946 5.618 ( 3.383 0.000 -3.365) 4.771 5.618 ( 3.383 0.000 3.365) 4.771 5.987 ( 0.637 0.000 -0.603) 0.877 5.987 ( 0.637 0.000 0.603) 0.877 6.097 ( -4.512 0.000 -0.831) 4.588 6.097 ( -4.512 0.000 0.831) 4.588 6.503 ( 5.440 0.000 -2.028) 5.806 6.503 ( 5.440 0.000 2.028) 5.806 7.137 ( -14.561 0.000 -3.172) 14.902 7.137 ( -14.561 0.000 3.172) 14.902 7.606 ( 1.272 0.000 -2.418) 2.732 7.606 ( 1.272 0.000 2.418) 2.732 7.639 ( -0.058 0.000 -1.895) 1.896 7.639 ( -0.058 0.000 1.895) 1.896 7.950 ( -4.247 0.000 -1.597) 4.537 7.950 ( -4.247 0.000 1.597) 4.537 8.073 ( -0.380 0.000 -2.901) 2.926 8.073 ( -0.380 0.000 2.901) 2.926 8.538 ( 6.827 0.000 -6.501) 9.427 8.538 ( 6.827 0.000 6.501) 9.427 8.796 ( -2.526 0.000 -2.065) 3.263 8.796 ( -2.526 0.000 2.065) 3.263 8.977 ( -3.133 0.000 -0.391) 3.157 8.977 ( -3.133 0.000 0.391) 3.157 9.175 ( -7.707 0.000 -0.488) 7.722 9.175 ( -7.707 0.000 0.488) 7.722 9.956 ( 11.257 0.000 -4.476) 12.114 9.956 ( 11.257 0.000 4.476) 12.114 10.269 ( 1.298 0.000 -6.086) 6.223 10.269 ( 1.298 0.000 6.086) 6.223 12.106 ( 0.836 0.000 -1.617) 1.820 12.106 ( 0.836 0.000 1.617) 1.820 12.278 ( -3.595 0.000 -5.867) 6.881 12.278 ( -3.595 0.000 5.867) 6.881 13.345 ( 5.162 0.000 -0.282) 5.170 13.345 ( 5.162 0.000 0.282) 5.170 13.622 ( -1.660 0.000 -3.692) 4.048 13.622 ( -1.660 0.000 3.692) 4.048 15.110 ( 1.318 0.000 -0.558) 1.431 15.110 ( 1.318 0.000 0.558) 1.431 15.226 ( -1.066 0.000 -4.860) 4.975 15.226 ( -1.066 0.000 4.860) 4.975 15.659 ( -0.087 0.000 -1.610) 1.612 15.659 ( -0.087 0.000 1.610) 1.612 15.805 ( -5.550 0.000 -1.095) 5.657 15.805 ( -5.550 0.000 1.095) 5.657 17.691 ( 0.473 0.000 -1.090) 1.188 17.691 ( 0.473 0.000 1.090) 1.188 17.776 ( -0.345 0.000 -2.219) 2.245 17.776 ( -0.345 0.000 2.219) 2.245 18.199 ( -5.040 0.000 -5.242) 7.272 18.199 ( -5.040 0.000 5.242) 7.272 18.288 ( -1.671 0.000 -5.925) 6.156 18.288 ( -1.671 0.000 5.925) 6.156 18.464 ( -2.138 0.000 -3.044) 3.720 18.464 ( -2.138 0.000 3.044) 3.720 18.758 ( -8.645 0.000 -2.680) 9.050 18.758 ( -8.645 0.000 2.680) 9.050 19.027 ( 3.489 0.000 -12.645) 13.117 19.027 ( 3.489 0.000 12.645) 13.117 19.108 ( 2.976 0.000 -5.585) 6.328 19.108 ( 2.976 0.000 5.585) 6.328 19.960 ( 6.612 0.000 -9.161) 11.298 19.960 ( 6.612 0.000 9.161) 11.298 20.114 ( -1.330 0.000 -0.806) 1.555 20.114 ( -1.330 0.000 0.806) 1.555 ======================= Grid point 134 (45/63) ======================= q-point: ( 0.40 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.719 ( 3.671 0.000 -19.127) 19.477 0.719 ( 3.671 0.000 19.127) 19.477 0.775 ( 1.925 0.000 -9.928) 10.113 0.775 ( 1.925 0.000 9.928) 10.113 1.287 ( -1.345 0.000 -4.510) 4.706 1.287 ( -1.345 0.000 4.510) 4.706 1.379 ( -8.877 0.000 -4.846) 10.113 1.379 ( -8.877 0.000 4.846) 10.113 1.742 ( -0.069 0.000 -2.883) 2.884 1.742 ( -0.069 0.000 2.883) 2.884 1.781 ( -4.423 0.000 -5.552) 7.099 1.781 ( -4.423 0.000 5.552) 7.099 2.081 ( 6.603 0.000 -2.903) 7.213 2.081 ( 6.603 0.000 2.903) 7.213 2.211 ( -5.662 0.000 -6.242) 8.428 2.211 ( -5.662 0.000 6.242) 8.428 2.650 ( 14.957 0.000 -25.811) 29.831 2.650 ( 14.957 0.000 25.811) 29.831 2.908 ( -6.366 0.000 -22.656) 23.533 2.908 ( -6.366 0.000 22.656) 23.533 3.080 ( 3.560 0.000 -13.995) 14.441 3.080 ( 3.560 0.000 13.995) 14.441 3.258 ( -10.494 0.000 -11.439) 15.523 3.258 ( -10.494 0.000 11.439) 15.523 3.844 ( 4.804 0.000 -0.983) 4.904 3.844 ( 4.804 0.000 0.983) 4.904 3.904 ( -1.337 0.000 -1.045) 1.697 3.904 ( -1.337 0.000 1.045) 1.697 4.278 ( 4.223 0.000 -7.180) 8.330 4.278 ( 4.223 0.000 7.180) 8.330 4.286 ( 0.686 0.000 -8.437) 8.464 4.286 ( 0.686 0.000 8.437) 8.464 4.434 ( 4.197 0.000 -2.372) 4.821 4.434 ( 4.197 0.000 2.372) 4.821 4.523 ( -5.102 0.000 -3.249) 6.048 4.523 ( -5.102 0.000 3.249) 6.048 4.804 ( 8.695 0.000 -4.281) 9.691 4.804 ( 8.695 0.000 4.281) 9.691 5.008 ( -9.531 0.000 -2.812) 9.937 5.008 ( -9.531 0.000 2.812) 9.937 5.678 ( 3.491 0.000 -2.662) 4.390 5.678 ( 3.491 0.000 2.662) 4.390 5.680 ( 2.390 0.000 -1.972) 3.099 5.680 ( 2.390 0.000 1.972) 3.099 6.010 ( 2.047 0.000 -0.974) 2.267 6.010 ( 2.047 0.000 0.974) 2.267 6.046 ( -1.378 0.000 -0.708) 1.549 6.046 ( -1.378 0.000 0.708) 1.549 6.607 ( 7.301 0.000 -0.993) 7.368 6.607 ( 7.301 0.000 0.993) 7.368 6.831 ( -15.891 0.000 -0.886) 15.915 6.831 ( -15.891 0.000 0.886) 15.915 7.632 ( 0.989 0.000 -2.530) 2.717 7.632 ( 0.989 0.000 2.530) 2.717 7.639 ( -0.009 0.000 -2.155) 2.155 7.639 ( -0.009 0.000 2.155) 2.155 7.918 ( 2.268 0.000 -2.930) 3.705 7.918 ( 2.268 0.000 2.930) 3.705 8.011 ( -5.651 0.000 -1.752) 5.917 8.011 ( -5.651 0.000 1.752) 5.917 8.662 ( 5.348 0.000 -0.774) 5.403 8.662 ( 5.348 0.000 0.774) 5.403 8.739 ( -3.379 0.000 -1.827) 3.842 8.739 ( -3.379 0.000 1.827) 3.842 8.956 ( 1.813 0.000 -2.236) 2.879 8.956 ( 1.813 0.000 2.236) 2.879 9.039 ( -6.297 0.000 -2.507) 6.778 9.039 ( -6.297 0.000 2.507) 6.778 10.153 ( 8.566 0.000 -5.398) 10.125 10.153 ( 8.566 0.000 5.398) 10.125 10.260 ( -2.809 0.000 -5.714) 6.367 10.260 ( -2.809 0.000 5.714) 6.367 12.137 ( 2.513 0.000 -2.737) 3.715 12.137 ( 2.513 0.000 2.737) 3.715 12.201 ( -4.120 0.000 -3.915) 5.684 12.201 ( -4.120 0.000 3.915) 5.684 13.462 ( 6.510 0.000 -0.392) 6.522 13.462 ( 6.510 0.000 0.392) 6.522 13.567 ( -4.299 0.000 -1.898) 4.700 13.567 ( -4.299 0.000 1.898) 4.700 15.147 ( 2.469 0.000 -0.900) 2.628 15.147 ( 2.469 0.000 0.900) 2.628 15.194 ( -2.294 0.000 -2.723) 3.561 15.194 ( -2.294 0.000 2.723) 3.561 15.665 ( 1.077 0.000 -2.429) 2.657 15.665 ( 1.077 0.000 2.429) 2.657 15.710 ( -3.869 0.000 -2.530) 4.623 15.710 ( -3.869 0.000 2.530) 4.623 17.706 ( 1.676 0.000 -2.251) 2.806 17.706 ( 1.676 0.000 2.251) 2.806 17.750 ( -2.378 0.000 -2.968) 3.803 17.750 ( -2.378 0.000 2.968) 3.803 18.194 ( 2.998 0.000 -6.137) 6.831 18.194 ( 2.998 0.000 6.137) 6.831 18.253 ( -2.429 0.000 -6.092) 6.558 18.253 ( -2.429 0.000 6.092) 6.558 18.451 ( 2.056 0.000 -2.654) 3.357 18.451 ( 2.056 0.000 2.654) 3.357 18.563 ( -9.304 0.000 -2.613) 9.664 18.563 ( -9.304 0.000 2.613) 9.664 19.121 ( 3.966 0.000 -12.549) 13.161 19.121 ( 3.966 0.000 12.549) 13.161 19.150 ( 0.789 0.000 -9.782) 9.813 19.150 ( 0.789 0.000 9.782) 9.813 20.043 ( 2.733 0.000 -5.411) 6.062 20.043 ( 2.733 0.000 5.411) 6.062 20.083 ( -1.834 0.000 -2.144) 2.821 20.083 ( -1.834 0.000 2.144) 2.821 ======================= Grid point 140 (46/63) ======================= q-point: ( 0.00 0.08 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.767 ( 0.000 14.168 -11.657) 18.347 0.767 ( 0.000 14.168 11.657) 18.347 0.927 ( 0.000 5.248 -19.430) 20.126 0.927 ( 0.000 5.248 19.430) 20.126 1.492 ( 0.000 1.779 -0.702) 1.912 1.492 ( 0.000 1.779 0.702) 1.912 1.632 ( 0.000 6.380 -17.914) 19.017 1.632 ( 0.000 6.380 17.914) 19.017 1.796 ( 0.000 5.360 -2.306) 5.835 1.796 ( 0.000 5.360 2.306) 5.835 1.978 ( 0.000 6.390 -1.981) 6.690 1.978 ( 0.000 6.390 1.981) 6.690 2.083 ( 0.000 8.892 -6.079) 10.772 2.083 ( 0.000 8.892 6.079) 10.772 2.285 ( 0.000 8.225 -2.158) 8.504 2.285 ( 0.000 8.225 2.158) 8.504 2.468 ( 0.000 2.231 -9.729) 9.982 2.468 ( 0.000 2.231 9.729) 9.982 2.654 ( 0.000 2.026 -0.324) 2.052 2.654 ( 0.000 2.026 0.324) 2.052 3.271 ( 0.000 -4.172 -1.124) 4.320 3.271 ( 0.000 -4.172 1.124) 4.320 3.503 ( 0.000 -6.298 -4.680) 7.846 3.503 ( 0.000 -6.298 4.680) 7.846 3.629 ( 0.000 -2.394 -1.687) 2.928 3.629 ( 0.000 -2.394 1.687) 2.928 3.817 ( 0.000 2.414 -0.396) 2.446 3.817 ( 0.000 2.414 0.396) 2.446 3.955 ( 0.000 4.247 -2.555) 4.956 3.955 ( 0.000 4.247 2.555) 4.956 4.261 ( 0.000 0.176 -1.053) 1.067 4.261 ( 0.000 0.176 1.053) 1.067 4.445 ( 0.000 1.129 -0.532) 1.248 4.445 ( 0.000 1.129 0.532) 1.248 4.682 ( 0.000 -1.094 -3.863) 4.015 4.682 ( 0.000 -1.094 3.863) 4.015 4.963 ( 0.000 2.432 -5.746) 6.239 4.963 ( 0.000 2.432 5.746) 6.239 5.236 ( 0.000 0.732 -2.829) 2.922 5.236 ( 0.000 0.732 2.829) 2.922 5.364 ( 0.000 -0.822 -1.745) 1.929 5.364 ( 0.000 -0.822 1.745) 1.929 5.547 ( 0.000 -1.474 -3.279) 3.595 5.547 ( 0.000 -1.474 3.279) 3.595 6.051 ( 0.000 7.002 -1.511) 7.163 6.051 ( 0.000 7.002 1.511) 7.163 6.210 ( 0.000 3.122 -2.527) 4.017 6.210 ( 0.000 3.122 2.527) 4.017 6.560 ( 0.000 10.849 -0.896) 10.886 6.560 ( 0.000 10.849 0.896) 10.886 7.286 ( 0.000 -0.761 -3.829) 3.904 7.286 ( 0.000 -0.761 3.829) 3.904 7.623 ( 0.000 2.764 -1.687) 3.238 7.623 ( 0.000 2.764 1.687) 3.238 7.667 ( 0.000 2.598 -2.276) 3.454 7.667 ( 0.000 2.598 2.276) 3.454 7.990 ( 0.000 -1.247 -0.168) 1.259 7.990 ( 0.000 -1.247 0.168) 1.259 8.068 ( 0.000 1.292 -2.546) 2.855 8.068 ( 0.000 1.292 2.546) 2.855 8.387 ( 0.000 -4.638 -6.394) 7.899 8.387 ( 0.000 -4.638 6.394) 7.899 8.993 ( 0.000 10.099 -6.511) 12.016 8.993 ( 0.000 10.099 6.511) 12.016 9.058 ( 0.000 5.939 -2.966) 6.639 9.058 ( 0.000 5.939 2.966) 6.639 9.278 ( 0.000 0.555 -0.577) 0.800 9.278 ( 0.000 0.555 0.577) 0.800 9.813 ( 0.000 -0.552 -0.283) 0.620 9.813 ( 0.000 -0.552 0.283) 0.620 10.236 ( 0.000 -1.033 -5.654) 5.747 10.236 ( 0.000 -1.034 5.654) 5.747 12.101 ( 0.000 0.086 -0.404) 0.413 12.101 ( 0.000 0.086 0.404) 0.413 12.317 ( 0.000 0.158 -7.094) 7.096 12.317 ( 0.000 0.158 7.094) 7.096 13.333 ( 0.000 3.500 -2.185) 4.126 13.333 ( 0.000 3.500 2.185) 4.126 13.648 ( 0.000 1.130 -4.224) 4.372 13.648 ( 0.000 1.130 4.224) 4.372 15.098 ( 0.000 -0.012 -0.470) 0.470 15.098 ( 0.000 -0.012 0.470) 0.470 15.235 ( 0.000 -0.043 -5.509) 5.509 15.235 ( 0.000 -0.043 5.509) 5.509 15.647 ( 0.000 -1.248 -0.974) 1.583 15.647 ( 0.000 -1.248 0.974) 1.583 15.866 ( 0.000 -0.321 -0.683) 0.755 15.866 ( 0.000 -0.321 0.683) 0.755 17.675 ( 0.000 -0.607 -0.871) 1.062 17.675 ( 0.000 -0.607 0.871) 1.062 17.774 ( 0.000 -0.269 -1.263) 1.291 17.774 ( 0.000 -0.269 1.263) 1.291 18.293 ( 0.000 -0.880 -2.609) 2.754 18.293 ( 0.000 -0.880 2.609) 2.754 18.318 ( 0.000 0.427 -2.810) 2.842 18.318 ( 0.000 0.427 2.810) 2.842 18.477 ( 0.000 -1.337 -2.403) 2.750 18.477 ( 0.000 -1.337 2.403) 2.750 18.743 ( 0.000 -4.455 -0.103) 4.456 18.743 ( 0.000 -4.455 0.103) 4.456 18.905 ( 0.000 -9.836 -3.284) 10.370 18.905 ( 0.000 -9.836 3.284) 10.370 19.107 ( 0.000 -0.467 -0.620) 0.776 19.107 ( 0.000 -0.467 0.620) 0.776 19.747 ( 0.000 -7.743 -3.754) 8.605 19.747 ( 0.000 -7.743 3.754) 8.605 20.109 ( 0.000 -1.858 -0.421) 1.905 20.109 ( 0.000 -1.858 0.421) 1.905 ======================= Grid point 142 (47/63) ======================= q-point: ( 0.20 0.08 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.784 ( -4.760 4.263 -22.322) 23.219 0.784 ( -4.760 4.263 22.322) 23.219 0.852 ( 2.859 14.425 -12.003) 18.982 0.852 ( 2.859 14.425 12.003) 18.982 1.422 ( -7.210 3.103 -5.893) 9.815 1.422 ( -7.210 3.103 5.893) 9.815 1.612 ( -4.261 6.606 -9.674) 12.465 1.612 ( -4.261 6.606 9.674) 12.465 1.801 ( -1.662 4.030 -4.663) 6.384 1.801 ( -1.662 4.030 4.663) 6.384 1.928 ( -1.070 8.079 -8.472) 11.756 1.928 ( -1.070 8.079 8.472) 11.756 2.118 ( -0.384 6.249 -2.002) 6.573 2.118 ( -0.384 6.249 2.002) 6.573 2.282 ( 2.182 7.654 -8.546) 11.679 2.282 ( 2.182 7.654 8.546) 11.679 2.495 ( 4.630 3.181 -14.734) 15.768 2.495 ( 4.630 3.181 14.734) 15.768 2.769 ( 9.217 -0.181 -14.876) 17.500 2.769 ( 9.217 -0.181 14.876) 17.500 3.205 ( -7.063 -2.073 -13.199) 15.113 3.205 ( -7.063 -2.073 13.199) 15.113 3.387 ( -7.861 -4.151 -8.643) 12.399 3.387 ( -7.861 -4.151 8.643) 12.399 3.742 ( 5.294 -0.315 -1.153) 5.427 3.742 ( 5.294 -0.315 1.153) 5.427 3.908 ( 8.434 -0.597 -1.645) 8.614 3.908 ( 8.434 -0.597 1.645) 8.614 4.042 ( 9.178 2.307 -3.126) 9.967 4.042 ( 9.178 2.307 3.126) 9.967 4.284 ( 2.471 1.325 -3.837) 4.752 4.284 ( 2.471 1.325 3.837) 4.752 4.425 ( -2.073 0.774 -1.008) 2.431 4.425 ( -2.073 0.774 1.008) 2.431 4.643 ( -3.007 0.663 -2.562) 4.005 4.643 ( -3.007 0.663 2.562) 4.005 4.806 ( -9.913 0.274 -6.074) 11.630 4.806 ( -9.913 0.274 6.074) 11.630 5.170 ( -4.903 2.616 -3.634) 6.640 5.170 ( -4.903 2.616 3.634) 6.640 5.523 ( 9.523 -0.475 -1.164) 9.606 5.523 ( 9.523 -0.475 1.164) 9.606 5.612 ( 6.186 -0.417 -2.491) 6.682 5.612 ( 6.186 -0.417 2.491) 6.682 6.052 ( 0.004 5.993 -0.838) 6.051 6.052 ( 0.004 5.993 0.838) 6.051 6.148 ( -3.762 4.355 -2.478) 6.266 6.148 ( -3.762 4.355 2.478) 6.266 6.593 ( 2.383 8.037 -2.729) 8.816 6.593 ( 2.383 8.037 2.729) 8.816 7.132 ( -14.223 -0.353 -2.904) 14.520 7.132 ( -14.223 -0.353 2.904) 14.520 7.618 ( 0.065 1.489 -1.797) 2.334 7.618 ( 0.065 1.489 1.797) 2.334 7.678 ( 0.481 3.258 -2.863) 4.363 7.678 ( 0.481 3.258 2.863) 4.363 7.936 ( -3.903 -1.168 -1.561) 4.363 7.936 ( -3.903 -1.168 1.561) 4.363 8.077 ( -0.870 0.555 -1.697) 1.986 8.077 ( -0.870 0.555 1.697) 1.986 8.478 ( 8.232 -3.616 -4.813) 10.199 8.478 ( 8.232 -3.616 4.813) 10.199 8.927 ( -7.122 8.631 -5.530) 12.482 8.927 ( -7.122 8.631 5.530) 12.482 9.001 ( -3.050 2.941 -0.585) 4.278 9.001 ( -3.050 2.941 0.585) 4.278 9.196 ( -6.375 2.458 -1.276) 6.951 9.196 ( -6.375 2.458 1.276) 6.951 9.951 ( 11.264 -0.446 -4.410) 12.105 9.951 ( 11.264 -0.446 4.410) 12.105 10.258 ( 1.385 -0.972 -5.753) 5.997 10.258 ( 1.385 -0.972 5.753) 5.997 12.108 ( 0.839 0.129 -1.679) 1.882 12.108 ( 0.839 0.129 1.679) 1.882 12.282 ( -3.327 0.408 -5.722) 6.632 12.282 ( -3.327 0.408 5.722) 6.632 13.378 ( 4.506 2.886 -1.379) 5.526 13.378 ( 4.506 2.886 1.379) 5.526 13.634 ( -1.536 1.252 -3.592) 4.103 13.634 ( -1.536 1.252 3.592) 4.103 15.110 ( 1.337 0.015 -0.542) 1.443 15.110 ( 1.337 0.015 0.542) 1.443 15.225 ( -1.062 -0.054 -4.408) 4.534 15.225 ( -1.062 -0.054 4.408) 4.534 15.647 ( 0.041 -1.106 -1.462) 1.833 15.647 ( 0.041 -1.106 1.462) 1.833 15.806 ( -5.206 0.155 -1.097) 5.322 15.806 ( -5.206 0.155 1.097) 5.322 17.688 ( 0.811 -0.325 -0.960) 1.298 17.688 ( 0.811 -0.325 0.960) 1.298 17.775 ( -0.215 -0.151 -2.095) 2.111 17.775 ( -0.215 -0.151 2.095) 2.111 18.195 ( -5.263 -0.399 -4.772) 7.116 18.195 ( -5.263 -0.399 4.772) 7.116 18.285 ( -1.749 -0.428 -5.581) 5.864 18.285 ( -1.749 -0.428 5.581) 5.864 18.456 ( -1.881 -0.834 -2.800) 3.475 18.456 ( -1.881 -0.834 2.800) 3.475 18.708 ( -8.030 -4.854 -3.516) 10.020 18.708 ( -8.030 -4.854 3.516) 10.020 18.957 ( 7.317 -5.192 -9.617) 13.152 18.957 ( 7.317 -5.192 9.617) 13.152 19.113 ( 1.335 -0.562 -4.989) 5.195 19.113 ( 1.335 -0.562 4.989) 5.195 19.865 ( 8.277 -7.729 -6.158) 12.890 19.865 ( 8.277 -7.729 6.158) 12.890 20.093 ( -1.635 -2.097 -0.724) 2.756 20.093 ( -1.635 -2.097 0.724) 2.756 ======================= Grid point 144 (48/63) ======================= q-point: ( 0.40 0.08 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.765 ( 4.856 4.373 -16.534) 17.779 0.765 ( 4.856 4.373 16.534) 17.779 0.920 ( -1.160 12.479 -9.568) 15.767 0.920 ( -1.160 12.479 9.568) 15.767 1.314 ( -0.025 3.429 -3.946) 5.228 1.314 ( -0.025 3.429 3.946) 5.228 1.460 ( -9.975 6.664 -2.938) 12.351 1.460 ( -9.975 6.664 2.938) 12.351 1.781 ( 0.116 4.181 -1.065) 4.316 1.781 ( 0.116 4.181 1.065) 4.316 1.855 ( -4.398 5.386 -3.583) 7.823 1.855 ( -4.398 5.386 3.583) 7.823 2.181 ( 5.528 9.092 -5.144) 11.819 2.181 ( 5.528 9.092 5.144) 11.819 2.276 ( -3.286 6.853 -3.787) 8.491 2.276 ( -3.286 6.853 3.787) 8.491 2.668 ( 11.881 1.783 -22.133) 25.184 2.668 ( 11.881 1.783 22.133) 25.184 2.901 ( -1.118 -0.670 -19.823) 19.866 2.901 ( -1.118 -0.670 19.823) 19.866 3.072 ( -0.509 -0.650 -13.973) 13.997 3.072 ( -0.509 -0.650 13.973) 13.997 3.224 ( -9.133 -2.694 -11.167) 14.676 3.224 ( -9.133 -2.694 11.167) 14.676 3.850 ( 5.790 0.814 -1.490) 6.034 3.850 ( 5.790 0.814 1.490) 6.034 3.972 ( -1.200 4.995 -1.498) 5.351 3.972 ( -1.200 4.995 1.498) 5.351 4.208 ( 5.035 -4.603 -5.329) 8.656 4.208 ( 5.035 -4.603 5.329) 8.656 4.303 ( -2.070 0.458 -4.400) 4.884 4.303 ( -2.070 0.458 4.400) 4.884 4.444 ( 5.373 1.355 -2.356) 6.022 4.444 ( 5.373 1.355 2.356) 6.022 4.555 ( -6.019 2.096 -1.816) 6.627 4.555 ( -6.019 2.096 1.816) 6.627 4.799 ( 9.567 -0.171 -3.730) 10.270 4.799 ( 9.567 -0.171 3.730) 10.270 5.034 ( -10.130 2.213 -2.991) 10.792 5.034 ( -10.130 2.213 2.991) 10.792 5.648 ( 4.275 -0.959 -1.484) 4.626 5.648 ( 4.275 -0.959 1.484) 4.626 5.697 ( 0.905 0.330 -0.724) 1.205 5.697 ( 0.905 0.330 0.724) 1.205 6.077 ( 2.798 5.963 -2.576) 7.073 6.077 ( 2.798 5.963 2.576) 7.073 6.124 ( 0.150 6.625 -3.197) 7.358 6.124 ( 0.150 6.625 3.197) 7.358 6.643 ( 4.716 3.696 -1.463) 6.168 6.643 ( 4.716 3.696 1.463) 6.168 6.837 ( -15.035 0.688 -0.894) 15.077 6.837 ( -15.035 0.688 0.894) 15.077 7.633 ( 1.537 0.906 -2.041) 2.711 7.633 ( 1.537 0.906 2.041) 2.711 7.670 ( -1.473 2.046 -2.905) 3.846 7.670 ( -1.473 2.046 2.905) 3.846 7.915 ( 2.644 -0.276 -2.706) 3.793 7.915 ( 2.644 -0.276 2.706) 3.793 8.013 ( -5.355 0.426 -1.744) 5.648 8.013 ( -5.355 0.426 1.744) 5.648 8.635 ( 7.348 -1.609 -2.807) 8.029 8.635 ( 7.348 -1.609 2.807) 8.029 8.786 ( -6.798 2.895 -1.392) 7.519 8.786 ( -6.798 2.895 1.392) 7.519 8.978 ( 0.455 2.526 -2.031) 3.273 8.978 ( 0.455 2.526 2.031) 3.273 9.089 ( -4.249 4.697 -2.993) 7.005 9.089 ( -4.249 4.697 2.993) 7.005 10.147 ( 8.433 -0.578 -5.227) 9.938 10.147 ( 8.433 -0.578 5.227) 9.938 10.252 ( -2.685 -0.791 -5.448) 6.125 10.252 ( -2.685 -0.791 5.448) 6.125 12.135 ( 1.892 -0.123 -2.940) 3.498 12.135 ( 1.892 -0.123 2.940) 3.498 12.213 ( -3.351 1.084 -3.792) 5.175 12.213 ( -3.351 1.084 3.792) 5.175 13.483 ( 6.007 1.945 -0.634) 6.345 13.483 ( 6.007 1.945 0.634) 6.345 13.583 ( -4.032 1.550 -1.835) 4.694 13.583 ( -4.032 1.550 1.835) 4.694 15.147 ( 2.407 -0.022 -1.038) 2.622 15.147 ( 2.407 -0.022 1.038) 2.622 15.194 ( -2.242 -0.045 -2.606) 3.438 15.194 ( -2.242 -0.045 2.606) 3.438 15.655 ( 0.924 -0.863 -2.424) 2.734 15.655 ( 0.924 -0.863 2.424) 2.734 15.715 ( -3.607 0.400 -2.483) 4.398 15.715 ( -3.607 0.400 2.483) 4.398 17.707 ( 1.657 0.117 -2.061) 2.647 17.707 ( 1.657 0.117 2.061) 2.647 17.753 ( -2.088 0.208 -2.728) 3.442 17.753 ( -2.088 0.208 2.728) 3.442 18.181 ( 2.304 -1.122 -5.545) 6.109 18.181 ( 2.304 -1.122 5.545) 6.109 18.250 ( -2.055 -0.421 -5.882) 6.245 18.250 ( -2.055 -0.421 5.882) 6.245 18.442 ( 1.538 -0.855 -2.502) 3.059 18.442 ( 1.538 -0.855 2.502) 3.059 18.540 ( -7.846 -2.060 -2.752) 8.566 18.540 ( -7.846 -2.060 2.752) 8.566 19.082 ( 4.817 -3.494 -9.991) 11.629 19.082 ( 4.817 -3.494 9.991) 11.629 19.131 ( -0.233 -2.087 -8.160) 8.426 19.131 ( -0.233 -2.087 8.160) 8.426 19.984 ( 4.538 -5.221 -3.916) 7.949 19.984 ( 4.538 -5.221 3.916) 7.949 20.051 ( -2.811 -3.085 -1.654) 4.489 20.051 ( -2.811 -3.085 1.654) 4.489 ======================= Grid point 150 (49/63) ======================= q-point: ( 0.00 0.17 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 57 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.993 ( 0.000 8.943 -7.273) 11.527 0.993 ( 0.000 8.943 7.273) 11.527 1.118 ( 0.000 11.547 -4.312) 12.325 1.118 ( 0.000 11.547 4.312) 12.325 1.564 ( 0.000 4.986 -0.826) 5.054 1.564 ( 0.000 4.986 0.826) 5.054 1.731 ( 0.000 1.956 -2.288) 3.010 1.731 ( 0.000 1.956 2.288) 3.010 1.971 ( 0.000 6.131 -9.326) 11.161 1.971 ( 0.000 6.131 9.326) 11.161 2.085 ( 0.000 10.365 -11.255) 15.301 2.085 ( 0.000 10.365 11.255) 15.301 2.368 ( 0.000 14.742 -0.872) 14.768 2.368 ( 0.000 14.742 0.872) 14.768 2.454 ( 0.000 9.756 -5.725) 11.312 2.454 ( 0.000 9.756 5.725) 11.312 2.590 ( 0.000 8.418 -5.841) 10.246 2.590 ( 0.000 8.418 5.841) 10.246 2.735 ( 0.000 6.928 -5.608) 8.913 2.735 ( 0.000 6.928 5.608) 8.913 3.147 ( 0.000 -7.493 -0.024) 7.493 3.147 ( 0.000 -7.493 0.024) 7.493 3.373 ( 0.000 -5.943 -5.560) 8.138 3.373 ( 0.000 -5.943 5.560) 8.138 3.567 ( 0.000 -3.301 -0.661) 3.367 3.567 ( 0.000 -3.301 0.661) 3.367 3.880 ( 0.000 3.204 -0.139) 3.207 3.880 ( 0.000 3.204 0.139) 3.207 3.993 ( 0.000 -0.561 -1.146) 1.276 3.993 ( 0.000 -0.561 1.146) 1.276 4.304 ( 0.000 4.011 -4.307) 5.885 4.304 ( 0.000 4.011 4.307) 5.885 4.461 ( 0.000 0.257 -3.883) 3.892 4.461 ( 0.000 0.257 3.883) 3.892 4.676 ( 0.000 0.643 -3.071) 3.137 4.676 ( 0.000 0.643 3.071) 3.137 5.002 ( 0.000 1.358 -0.646) 1.504 5.002 ( 0.000 1.358 0.646) 1.504 5.236 ( 0.000 -0.647 -3.099) 3.165 5.236 ( 0.000 -0.647 3.099) 3.165 5.342 ( 0.000 -1.193 -1.647) 2.034 5.342 ( 0.000 -1.193 1.647) 2.034 5.555 ( 0.000 1.950 -1.864) 2.698 5.555 ( 0.000 1.950 1.864) 2.698 6.237 ( 0.000 8.782 -1.812) 8.967 6.237 ( 0.000 8.782 1.812) 8.967 6.286 ( 0.000 6.464 -4.262) 7.742 6.286 ( 0.000 6.464 4.262) 7.742 6.769 ( 0.000 8.502 -0.434) 8.513 6.769 ( 0.000 8.502 0.434) 8.513 7.267 ( 0.000 -1.075 -3.114) 3.294 7.267 ( 0.000 -1.075 3.114) 3.294 7.692 ( 0.000 3.393 -0.192) 3.399 7.692 ( 0.000 3.393 0.192) 3.399 7.731 ( 0.000 3.125 -3.551) 4.730 7.731 ( 0.000 3.125 3.551) 4.730 7.965 ( 0.000 -0.557 -0.241) 0.607 7.965 ( 0.000 -0.557 0.241) 0.607 8.122 ( 0.000 4.165 -1.228) 4.342 8.122 ( 0.000 4.165 1.228) 4.342 8.314 ( 0.000 -2.418 -4.847) 5.417 8.314 ( 0.000 -2.418 4.847) 5.417 9.091 ( 0.000 3.537 -0.227) 3.544 9.091 ( 0.000 3.537 0.227) 3.544 9.261 ( 0.000 5.989 -5.688) 8.260 9.261 ( 0.000 5.989 5.688) 8.260 9.317 ( 0.000 6.114 -7.848) 9.949 9.317 ( 0.000 6.114 7.848) 9.949 9.795 ( 0.000 -1.221 -1.530) 1.957 9.795 ( 0.000 -1.221 1.530) 1.957 10.208 ( 0.000 -1.529 -4.991) 5.220 10.208 ( 0.000 -1.529 4.991) 5.220 12.103 ( 0.000 0.100 -0.419) 0.431 12.103 ( 0.000 0.100 0.419) 0.431 12.323 ( 0.000 0.481 -6.250) 6.269 12.323 ( 0.000 0.481 6.250) 6.269 13.411 ( 0.000 3.747 -4.407) 5.784 13.411 ( 0.000 3.747 4.407) 5.784 13.682 ( 0.000 2.261 -3.961) 4.561 13.682 ( 0.000 2.261 3.961) 4.561 15.098 ( 0.000 0.080 -0.505) 0.511 15.098 ( 0.000 0.080 0.505) 0.511 15.236 ( 0.000 0.174 -4.047) 4.051 15.236 ( 0.000 0.174 4.047) 4.051 15.612 ( 0.000 -2.177 -0.358) 2.206 15.612 ( 0.000 -2.177 0.358) 2.206 15.863 ( 0.000 0.135 -0.574) 0.589 15.863 ( 0.000 0.135 0.574) 0.589 17.660 ( 0.000 -0.835 -0.743) 1.118 17.660 ( 0.000 -0.835 0.743) 1.118 17.764 ( 0.000 -0.673 -0.996) 1.202 17.764 ( 0.000 -0.673 0.996) 1.202 18.269 ( 0.000 -1.564 -3.997) 4.292 18.269 ( 0.000 -1.564 3.997) 4.292 18.322 ( 0.000 -0.239 -4.381) 4.388 18.322 ( 0.000 -0.239 4.381) 4.388 18.437 ( 0.000 -2.699 -2.113) 3.427 18.437 ( 0.000 -2.699 2.113) 3.427 18.578 ( 0.000 -9.237 -7.996) 12.217 18.578 ( 0.000 -9.237 7.996) 12.217 18.769 ( 0.000 -4.262 -1.588) 4.548 18.769 ( 0.000 -4.262 1.588) 4.548 19.074 ( 0.000 -2.354 -0.159) 2.359 19.074 ( 0.000 -2.354 0.159) 2.359 19.612 ( 0.000 -5.278 -4.222) 6.759 19.612 ( 0.000 -5.278 4.222) 6.759 20.057 ( 0.000 -3.126 -0.424) 3.155 20.057 ( 0.000 -3.126 0.424) 3.155 ======================= Grid point 152 (50/63) ======================= q-point: ( 0.20 0.17 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 91 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.921 ( -5.309 9.312 -16.631) 19.786 0.921 ( -5.309 9.312 16.631) 19.786 1.152 ( 4.348 13.106 -10.048) 17.077 1.152 ( 4.348 13.106 10.048) 17.077 1.516 ( -6.892 5.703 -3.687) 9.676 1.516 ( -6.892 5.703 3.687) 9.676 1.714 ( -1.405 2.764 -5.341) 6.176 1.714 ( -1.405 2.764 5.341) 6.176 1.914 ( -4.677 5.255 -5.241) 8.773 1.914 ( -4.677 5.255 5.241) 8.773 2.110 ( -2.935 9.229 -7.090) 12.002 2.110 ( -2.935 9.229 7.090) 12.002 2.298 ( -0.126 12.102 -7.371) 14.171 2.298 ( -0.126 12.102 7.371) 14.171 2.490 ( 0.376 11.772 -3.301) 12.232 2.490 ( 0.376 11.772 3.301) 12.232 2.606 ( 5.511 6.023 -7.910) 11.367 2.606 ( 5.511 6.023 7.910) 11.367 2.796 ( 4.400 4.313 -10.264) 11.971 2.796 ( 4.400 4.313 10.264) 11.971 3.130 ( -2.916 -4.569 -10.410) 11.737 3.130 ( -2.916 -4.569 10.410) 11.737 3.311 ( -4.867 -3.057 -6.960) 9.026 3.311 ( -4.867 -3.057 6.960) 9.026 3.714 ( 9.129 -2.653 -1.867) 9.689 3.714 ( 9.129 -2.653 1.867) 9.689 3.888 ( 6.376 -0.680 -1.295) 6.541 3.888 ( 6.376 -0.680 1.295) 6.541 4.085 ( 5.400 1.482 -2.166) 6.004 4.085 ( 5.400 1.482 2.166) 6.004 4.336 ( 3.188 3.704 -3.577) 6.057 4.336 ( 3.188 3.704 3.577) 6.057 4.449 ( -1.292 1.247 -2.031) 2.711 4.449 ( -1.292 1.247 2.031) 2.711 4.660 ( -0.764 1.310 -3.040) 3.397 4.660 ( -0.764 1.310 3.040) 3.397 4.806 ( -11.799 -0.380 -2.801) 12.133 4.806 ( -11.799 -0.380 2.801) 12.133 5.220 ( -3.422 2.089 -3.636) 5.413 5.220 ( -3.422 2.089 3.636) 5.413 5.521 ( 10.238 0.004 -0.655) 10.259 5.521 ( 10.238 0.004 0.655) 10.259 5.611 ( 6.741 0.542 -1.389) 6.904 5.611 ( 6.741 0.542 1.389) 6.904 6.169 ( -4.634 4.360 -4.169) 7.607 6.169 ( -4.634 4.360 4.169) 7.607 6.295 ( 0.864 10.646 -5.072) 11.824 6.295 ( 0.864 10.646 5.072) 11.824 6.771 ( -0.423 8.243 -4.149) 9.237 6.771 ( -0.423 8.243 4.149) 9.237 7.129 ( -12.783 0.204 -2.418) 13.011 7.129 ( -12.783 0.204 2.418) 13.011 7.658 ( -1.800 1.927 -1.672) 3.123 7.658 ( -1.800 1.927 1.672) 3.123 7.751 ( 0.351 3.392 -2.886) 4.467 7.751 ( 0.351 3.392 2.886) 4.467 7.917 ( -3.245 -0.196 -2.222) 3.938 7.917 ( -3.245 -0.196 2.222) 3.938 8.109 ( -1.949 2.873 -0.477) 3.504 8.109 ( -1.950 2.873 0.477) 3.504 8.423 ( 9.506 -1.766 -5.020) 10.894 8.423 ( 9.506 -1.766 5.021) 10.894 9.009 ( -9.149 1.491 -1.394) 9.374 9.009 ( -9.149 1.491 1.394) 9.374 9.126 ( -6.376 6.248 -3.210) 9.487 9.126 ( -6.376 6.248 3.210) 9.487 9.295 ( -4.044 7.176 -7.010) 10.816 9.295 ( -4.044 7.176 7.010) 10.816 9.936 ( 11.301 -1.090 -4.306) 12.143 9.936 ( 11.301 -1.090 4.306) 12.143 10.232 ( 1.525 -1.509 -4.990) 5.432 10.232 ( 1.525 -1.509 4.990) 5.432 12.111 ( 0.926 0.212 -1.810) 2.044 12.111 ( 0.926 0.212 1.810) 2.044 12.295 ( -2.723 0.825 -5.290) 6.007 12.295 ( -2.723 0.825 5.290) 6.007 13.446 ( 3.568 3.432 -3.121) 5.852 13.446 ( 3.568 3.432 3.121) 5.852 13.671 ( -1.306 2.345 -3.282) 4.240 13.671 ( -1.306 2.345 3.282) 4.240 15.111 ( 1.319 0.046 -0.570) 1.437 15.111 ( 1.319 0.046 0.570) 1.437 15.225 ( -1.175 0.053 -3.487) 3.680 15.225 ( -1.175 0.053 3.487) 3.680 15.616 ( 0.533 -1.838 -1.295) 2.311 15.616 ( 0.533 -1.838 1.295) 2.311 15.812 ( -4.697 0.465 -1.119) 4.851 15.812 ( -4.697 0.465 1.119) 4.851 17.680 ( 1.609 -0.419 -0.717) 1.810 17.680 ( 1.609 -0.419 0.717) 1.810 17.769 ( 0.154 -0.503 -1.778) 1.854 17.769 ( 0.154 -0.503 1.778) 1.854 18.184 ( -5.516 -0.609 -3.560) 6.593 18.184 ( -5.516 -0.609 3.560) 6.593 18.267 ( -1.924 -1.358 -4.355) 4.950 18.267 ( -1.924 -1.358 4.355) 4.950 18.432 ( -1.148 -1.524 -2.076) 2.820 18.432 ( -1.148 -1.524 2.076) 2.820 18.583 ( -3.611 -6.524 -4.718) 8.824 18.583 ( -3.611 -6.524 4.718) 8.824 18.853 ( 8.171 -4.941 -6.878) 11.768 18.853 ( 8.171 -4.941 6.878) 11.768 19.077 ( 0.140 -2.830 -4.012) 4.912 19.077 ( 0.140 -2.830 4.012) 4.912 19.710 ( 8.377 -6.709 -3.075) 11.164 19.710 ( 8.377 -6.709 3.075) 11.164 20.035 ( -2.317 -3.440 -0.512) 4.179 20.035 ( -2.317 -3.440 0.512) 4.179 ======================= Grid point 154 (51/63) ======================= q-point: ( 0.40 0.17 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 91 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.889 ( 1.906 7.869 -10.962) 13.628 0.889 ( 1.906 7.869 10.962) 13.628 1.205 ( -2.513 14.127 -9.283) 17.090 1.205 ( -2.513 14.127 9.283) 17.090 1.426 ( 3.744 6.911 -4.105) 8.867 1.426 ( 3.744 6.911 4.105) 8.867 1.601 ( -10.355 6.628 -4.161) 12.980 1.601 ( -10.355 6.628 4.161) 12.980 1.882 ( 1.901 4.421 -4.672) 6.707 1.882 ( 1.901 4.421 4.672) 6.707 1.969 ( -7.323 6.047 -2.510) 9.823 1.969 ( -7.323 6.047 2.510) 9.823 2.399 ( 5.989 11.621 -10.956) 17.058 2.399 ( 5.989 11.621 10.956) 17.058 2.489 ( -0.787 12.495 -5.044) 13.497 2.489 ( -0.787 12.495 5.044) 13.497 2.707 ( 3.533 1.311 -11.554) 12.152 2.707 ( 3.533 1.311 11.554) 12.152 2.900 ( 5.103 1.298 -11.758) 12.884 2.900 ( 5.103 1.298 11.758) 12.884 3.054 ( -2.269 -0.894 -9.356) 9.668 3.054 ( -2.269 -0.894 9.356) 9.668 3.189 ( -7.413 0.113 -10.965) 13.237 3.189 ( -7.413 0.113 10.965) 13.237 3.857 ( 7.239 -0.544 -2.836) 7.793 3.857 ( 7.239 -0.544 2.836) 7.793 4.025 ( 0.147 -2.034 -1.270) 2.402 4.025 ( 0.147 -2.034 1.270) 2.402 4.156 ( 5.766 1.767 -2.837) 6.665 4.156 ( 5.766 1.767 2.837) 6.665 4.324 ( -5.211 1.674 -3.616) 6.559 4.324 ( -5.211 1.674 3.616) 6.559 4.486 ( 4.871 2.747 -2.920) 6.309 4.486 ( 4.871 2.747 2.920) 6.309 4.585 ( -6.016 0.941 -1.043) 6.178 4.585 ( -6.016 0.941 1.043) 6.178 4.808 ( 11.306 1.092 -3.483) 11.881 4.808 ( 11.306 1.092 3.483) 11.881 5.083 ( -11.170 2.351 -3.272) 11.875 5.083 ( -11.170 2.351 3.272) 11.875 5.645 ( 4.969 0.601 -1.081) 5.120 5.645 ( 4.969 0.601 1.081) 5.120 5.706 ( -0.141 0.605 -0.611) 0.871 5.706 ( -0.141 0.605 0.611) 0.871 6.187 ( 6.870 4.105 -2.345) 8.340 6.187 ( 6.870 4.105 2.345) 8.340 6.296 ( -2.140 9.441 -3.795) 10.398 6.296 ( -2.140 9.441 3.795) 10.398 6.753 ( 0.264 6.581 -2.677) 7.110 6.753 ( 0.264 6.581 2.677) 7.110 6.874 ( -11.863 3.605 -1.124) 12.450 6.874 ( -11.863 3.605 1.124) 12.450 7.652 ( 1.206 0.230 -3.113) 3.346 7.652 ( 1.206 0.230 3.113) 3.346 7.719 ( -2.937 2.976 -2.661) 4.956 7.719 ( -2.937 2.976 2.661) 4.956 7.909 ( 2.195 -0.247 -3.489) 4.129 7.909 ( 2.195 -0.247 3.489) 4.129 8.044 ( -4.097 2.915 -2.385) 5.565 8.044 ( -4.097 2.915 2.385) 5.565 8.607 ( 8.846 -1.242 -4.148) 9.849 8.607 ( 8.846 -1.242 4.148) 9.849 8.820 ( -8.960 0.458 -1.885) 9.168 8.820 ( -8.960 0.458 1.885) 9.168 9.066 ( -0.943 5.828 -3.810) 7.026 9.066 ( -0.943 5.828 3.810) 7.026 9.216 ( -3.045 7.394 -5.284) 9.585 9.216 ( -3.045 7.394 5.284) 9.585 10.129 ( 8.188 -1.207 -4.823) 9.579 10.129 ( 8.188 -1.207 4.823) 9.579 10.229 ( -2.471 -1.388 -4.839) 5.608 10.229 ( -2.471 -1.388 4.839) 5.608 12.135 ( 1.246 0.139 -3.288) 3.519 12.135 ( 1.246 0.139 3.288) 3.519 12.241 ( -2.312 1.586 -3.682) 4.628 12.241 ( -2.312 1.586 3.682) 4.628 13.532 ( 4.954 2.661 -1.601) 5.847 13.532 ( 4.954 2.661 1.601) 5.847 13.627 ( -3.375 2.675 -1.730) 4.641 13.627 ( -3.375 2.675 1.730) 4.641 15.146 ( 2.236 -0.094 -1.336) 2.607 15.146 ( 2.236 -0.094 1.336) 2.607 15.192 ( -2.189 -0.096 -2.342) 3.207 15.192 ( -2.189 -0.096 2.342) 3.207 15.635 ( 1.350 -1.041 -2.528) 3.049 15.635 ( 1.350 -1.041 2.528) 3.049 15.723 ( -3.705 0.419 -2.435) 4.453 15.723 ( -3.705 0.419 2.435) 4.453 17.711 ( 1.650 0.218 -1.678) 2.364 17.711 ( 1.650 0.218 1.678) 2.364 17.757 ( -1.300 0.203 -2.218) 2.579 17.757 ( -1.300 0.203 2.218) 2.579 18.154 ( 1.141 -1.406 -4.200) 4.574 18.154 ( 1.141 -1.406 4.200) 4.574 18.233 ( -1.688 -1.314 -5.075) 5.507 18.233 ( -1.688 -1.314 5.075) 5.507 18.419 ( 0.546 -1.289 -2.174) 2.586 18.419 ( 0.546 -1.289 2.174) 2.586 18.489 ( -4.656 -2.772 -2.650) 6.032 18.489 ( -4.656 -2.772 2.650) 6.032 18.991 ( 5.590 -5.314 -7.942) 11.070 18.991 ( 5.590 -5.314 7.942) 11.070 19.065 ( -1.772 -4.322 -6.723) 8.186 19.065 ( -1.772 -4.322 6.723) 8.186 19.862 ( 7.041 -6.204 -1.661) 9.531 19.862 ( 7.041 -6.204 1.661) 9.531 19.970 ( -4.547 -4.501 -0.825) 6.451 19.970 ( -4.547 -4.501 0.825) 6.451 ======================= Grid point 160 (52/63) ======================= q-point: ( 0.00 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.183 ( 0.000 9.771 -7.481) 12.306 1.183 ( 0.000 9.771 7.481) 12.306 1.320 ( 0.000 7.971 -9.956) 12.754 1.320 ( 0.000 7.971 9.956) 12.754 1.673 ( 0.000 4.789 -1.695) 5.080 1.673 ( 0.000 4.789 1.695) 5.080 1.736 ( 0.000 0.175 -1.037) 1.052 1.736 ( 0.000 0.175 1.037) 1.052 1.990 ( 0.000 -1.031 -3.475) 3.624 1.990 ( 0.000 -1.031 3.475) 3.624 2.352 ( 0.000 10.968 -8.550) 13.907 2.352 ( 0.000 10.967 8.550) 13.906 2.585 ( 0.000 4.308 -6.340) 7.665 2.585 ( 0.000 4.308 6.340) 7.665 2.650 ( 0.000 8.194 -3.291) 8.830 2.650 ( 0.000 8.194 3.291) 8.830 2.789 ( 0.000 10.497 -2.114) 10.708 2.789 ( 0.000 10.497 2.114) 10.708 2.937 ( 0.000 8.527 -1.198) 8.610 2.937 ( 0.000 8.527 1.198) 8.610 3.024 ( 0.000 0.880 -2.370) 2.528 3.024 ( 0.000 0.880 2.370) 2.528 3.293 ( 0.000 -0.536 -7.394) 7.413 3.293 ( 0.000 -0.536 7.394) 7.413 3.513 ( 0.000 -1.404 -1.975) 2.424 3.513 ( 0.000 -1.404 1.975) 2.424 3.923 ( 0.000 -0.211 -0.254) 0.331 3.923 ( 0.000 -0.211 0.254) 0.331 3.970 ( 0.000 0.020 -0.814) 0.815 3.970 ( 0.000 0.020 0.814) 0.815 4.388 ( 0.000 2.711 -5.639) 6.257 4.388 ( 0.000 2.711 5.639) 6.257 4.467 ( 0.000 1.469 -6.259) 6.430 4.467 ( 0.000 1.469 6.259) 6.430 4.700 ( 0.000 1.315 -0.283) 1.345 4.700 ( 0.000 1.315 0.283) 1.345 5.019 ( 0.000 0.259 -2.072) 2.088 5.019 ( 0.000 0.259 2.072) 2.088 5.223 ( 0.000 -0.338 -2.406) 2.430 5.223 ( 0.000 -0.338 2.406) 2.430 5.322 ( 0.000 -0.771 -1.114) 1.355 5.322 ( 0.000 -0.771 1.114) 1.355 5.605 ( 0.000 2.615 -0.585) 2.680 5.605 ( 0.000 2.615 0.585) 2.680 6.330 ( 0.000 3.368 -3.999) 5.228 6.330 ( 0.000 3.368 3.999) 5.228 6.519 ( 0.000 12.809 -2.658) 13.081 6.519 ( 0.000 12.809 2.658) 13.082 6.893 ( 0.000 3.995 -1.924) 4.434 6.893 ( 0.000 3.995 1.924) 4.434 7.244 ( 0.000 -1.103 -2.233) 2.490 7.244 ( 0.000 -1.103 2.233) 2.490 7.714 ( 0.000 -1.867 -0.752) 2.012 7.714 ( 0.000 -1.867 0.752) 2.012 7.779 ( 0.000 1.567 -3.119) 3.491 7.779 ( 0.000 1.567 3.119) 3.491 8.003 ( 0.000 4.434 -2.428) 5.056 8.003 ( 0.000 4.434 2.428) 5.056 8.215 ( 0.000 3.422 -1.689) 3.816 8.215 ( 0.000 3.422 1.689) 3.816 8.310 ( 0.000 3.438 -2.318) 4.146 8.310 ( 0.000 3.438 2.318) 4.146 9.162 ( 0.000 3.380 -0.118) 3.382 9.162 ( 0.000 3.380 0.118) 3.382 9.312 ( 0.000 1.912 -0.341) 1.942 9.312 ( 0.000 1.912 0.341) 1.942 9.471 ( 0.000 6.193 -9.402) 11.259 9.471 ( 0.000 6.193 9.402) 11.259 9.767 ( 0.000 -1.372 -3.623) 3.874 9.767 ( 0.000 -1.372 3.623) 3.874 10.178 ( 0.000 -1.363 -4.204) 4.420 10.178 ( 0.000 -1.363 4.204) 4.420 12.106 ( 0.000 0.263 -0.569) 0.626 12.106 ( 0.000 0.263 0.569) 0.626 12.336 ( 0.000 0.686 -5.182) 5.227 12.336 ( 0.000 0.686 5.182) 5.227 13.474 ( 0.000 2.363 -4.208) 4.826 13.474 ( 0.000 2.363 4.208) 4.826 13.738 ( 0.000 3.160 -3.216) 4.509 13.738 ( 0.000 3.160 3.216) 4.509 15.101 ( 0.000 0.195 -0.401) 0.446 15.101 ( 0.000 0.195 0.401) 0.446 15.242 ( 0.000 0.348 -2.827) 2.848 15.242 ( 0.000 0.348 2.827) 2.848 15.563 ( 0.000 -2.517 -0.147) 2.521 15.563 ( 0.000 -2.517 0.147) 2.521 15.872 ( 0.000 0.650 -0.589) 0.877 15.872 ( 0.000 0.650 0.589) 0.877 17.644 ( 0.000 -0.770 -0.591) 0.971 17.644 ( 0.000 -0.770 0.591) 0.971 17.746 ( 0.000 -1.125 -0.608) 1.279 17.746 ( 0.000 -1.125 0.608) 1.279 18.229 ( 0.000 -2.356 -3.899) 4.555 18.229 ( 0.000 -2.356 3.899) 4.555 18.286 ( 0.000 -3.684 -6.987) 7.899 18.286 ( 0.000 -3.684 6.987) 7.899 18.380 ( 0.000 -1.971 -2.674) 3.321 18.380 ( 0.000 -1.971 2.674) 3.321 18.454 ( 0.000 -3.083 -5.333) 6.160 18.454 ( 0.000 -3.083 5.333) 6.160 18.690 ( 0.000 -3.699 -0.786) 3.782 18.690 ( 0.000 -3.699 0.786) 3.782 19.023 ( 0.000 -2.483 -0.534) 2.540 19.023 ( 0.000 -2.483 0.534) 2.540 19.528 ( 0.000 -3.229 -2.272) 3.948 19.528 ( 0.000 -3.229 2.272) 3.948 19.990 ( 0.000 -3.266 -0.340) 3.284 19.990 ( 0.000 -3.266 0.340) 3.284 ======================= Grid point 162 (53/63) ======================= q-point: ( 0.20 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.136 ( -4.014 11.099 -9.026) 14.858 1.136 ( -4.014 11.099 9.026) 14.858 1.362 ( 4.595 7.814 -10.485) 13.860 1.362 ( 4.595 7.814 10.485) 13.860 1.621 ( -4.988 3.937 -2.369) 6.782 1.621 ( -4.988 3.937 2.369) 6.782 1.764 ( 1.915 2.926 -3.424) 4.894 1.764 ( 1.915 2.925 3.424) 4.894 1.955 ( -3.233 0.547 -3.344) 4.683 1.955 ( -3.233 0.547 3.344) 4.683 2.312 ( -8.665 8.729 -5.228) 13.365 2.312 ( -8.665 8.729 5.228) 13.365 2.502 ( -2.364 3.830 -3.578) 5.750 2.502 ( -2.364 3.830 3.578) 5.750 2.670 ( 2.480 7.389 -4.980) 9.249 2.670 ( 2.480 7.389 4.980) 9.249 2.759 ( 0.002 7.361 -4.973) 8.883 2.759 ( 0.002 7.361 4.973) 8.883 2.921 ( 0.195 5.895 -4.342) 7.324 2.921 ( 0.195 5.895 4.342) 7.324 3.101 ( 0.894 4.207 -3.988) 5.865 3.101 ( 0.894 4.207 3.988) 5.865 3.270 ( -1.057 -0.228 -3.809) 3.959 3.270 ( -1.057 -0.228 3.809) 3.959 3.658 ( 11.321 -1.831 -2.086) 11.656 3.658 ( 11.321 -1.831 2.086) 11.656 3.884 ( 2.134 0.291 -1.534) 2.644 3.884 ( 2.134 0.291 1.534) 2.644 4.110 ( 8.186 1.296 -1.083) 8.358 4.110 ( 8.186 1.296 1.083) 8.358 4.413 ( 1.791 3.012 -3.854) 5.209 4.413 ( 1.791 3.012 3.854) 5.209 4.474 ( 1.520 1.708 -2.090) 3.097 4.474 ( 1.520 1.708 2.090) 3.097 4.698 ( -0.137 2.144 -1.899) 2.867 4.698 ( -0.137 2.143 1.899) 2.867 4.794 ( -12.311 -0.491 -2.640) 12.600 4.794 ( -12.311 -0.491 2.640) 12.600 5.256 ( -2.305 1.536 -2.861) 3.982 5.256 ( -2.305 1.536 2.861) 3.982 5.512 ( 13.656 -0.917 -1.345) 13.753 5.512 ( 13.656 -0.917 1.345) 13.753 5.636 ( 3.706 1.728 -0.834) 4.174 5.636 ( 3.706 1.728 0.834) 4.174 6.242 ( -5.923 3.186 -3.621) 7.639 6.242 ( -5.923 3.186 3.621) 7.639 6.532 ( -0.128 11.582 -4.319) 12.362 6.532 ( -0.128 11.582 4.319) 12.362 6.900 ( -0.361 4.386 -4.718) 6.452 6.900 ( -0.361 4.386 4.718) 6.452 7.147 ( -8.437 1.680 -2.180) 8.875 7.147 ( -8.437 1.680 2.180) 8.875 7.669 ( -3.330 -1.207 -2.030) 4.082 7.669 ( -3.330 -1.207 2.030) 4.082 7.792 ( 0.374 0.388 -1.026) 1.159 7.792 ( 0.374 0.388 1.026) 1.159 7.960 ( -3.487 4.741 -2.618) 6.441 7.960 ( -3.487 4.741 2.618) 6.441 8.187 ( -2.427 4.188 -1.696) 5.129 8.187 ( -2.427 4.188 1.696) 5.129 8.412 ( 8.644 0.988 -4.303) 9.707 8.412 ( 8.644 0.988 4.303) 9.707 9.030 ( -11.850 0.805 -0.369) 11.884 9.030 ( -11.850 0.805 0.369) 11.884 9.234 ( -3.838 4.793 -2.966) 6.819 9.234 ( -3.838 4.793 2.966) 6.819 9.446 ( -3.780 6.846 -8.392) 11.471 9.446 ( -3.780 6.846 8.392) 11.471 9.908 ( 11.316 -1.563 -4.262) 12.192 9.908 ( 11.316 -1.563 4.262) 12.192 10.201 ( 1.457 -1.532 -4.226) 4.726 10.201 ( 1.457 -1.533 4.226) 4.726 12.117 ( 1.128 0.403 -1.947) 2.286 12.117 ( 1.128 0.403 1.947) 2.286 12.314 ( -2.050 1.032 -4.604) 5.144 12.314 ( -2.050 1.032 4.604) 5.144 13.506 ( 3.272 2.406 -3.325) 5.249 13.506 ( 3.272 2.406 3.325) 5.249 13.727 ( -1.285 3.059 -2.673) 4.260 13.727 ( -1.285 3.059 2.673) 4.260 15.112 ( 1.127 0.033 -0.737) 1.347 15.112 ( 1.127 0.033 0.737) 1.347 15.227 ( -1.484 0.158 -2.606) 3.003 15.227 ( -1.484 0.158 2.606) 3.003 15.576 ( 1.412 -2.020 -1.304) 2.788 15.576 ( 1.412 -2.020 1.304) 2.788 15.824 ( -4.519 0.724 -1.057) 4.697 15.824 ( -4.519 0.724 1.057) 4.697 17.672 ( 2.507 -0.350 -0.533) 2.587 17.672 ( 2.507 -0.350 0.533) 2.587 17.754 ( 0.618 -0.950 -1.309) 1.732 17.754 ( 0.618 -0.950 1.309) 1.732 18.170 ( -4.890 -0.821 -2.027) 5.357 18.170 ( -4.890 -0.821 2.027) 5.357 18.228 ( -1.740 -2.389 -2.005) 3.572 18.228 ( -1.740 -2.389 2.005) 3.572 18.396 ( -0.101 -1.888 -0.977) 2.128 18.396 ( -0.101 -1.888 0.977) 2.128 18.474 ( -0.600 -3.893 -3.805) 5.476 18.474 ( -0.600 -3.893 3.805) 5.476 18.755 ( 6.305 -4.657 -4.585) 9.081 18.755 ( 6.305 -4.657 4.585) 9.081 19.010 ( -1.419 -3.397 -2.621) 4.519 19.010 ( -1.419 -3.397 2.621) 4.519 19.601 ( 7.000 -4.113 -1.253) 8.215 19.601 ( 7.000 -4.113 1.253) 8.215 19.963 ( -2.916 -3.479 -0.316) 4.551 19.963 ( -2.916 -3.479 0.316) 4.551 ======================= Grid point 164 (54/63) ======================= q-point: ( 0.40 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.079 ( -1.438 10.477 -7.326) 12.865 1.079 ( -1.438 10.477 7.326) 12.865 1.448 ( 1.115 8.976 -3.173) 9.586 1.448 ( 1.115 8.976 3.173) 9.586 1.563 ( 3.105 6.420 -5.116) 8.777 1.563 ( 3.105 6.420 5.116) 8.777 1.725 ( -6.891 5.225 -5.981) 10.514 1.725 ( -6.891 5.225 5.981) 10.514 1.942 ( 3.325 2.905 -4.255) 6.132 1.942 ( 3.325 2.905 4.255) 6.132 2.092 ( -10.096 5.194 -4.550) 12.232 2.092 ( -10.096 5.194 4.550) 12.232 2.560 ( 4.970 0.001 -4.522) 6.719 2.560 ( 4.970 0.001 4.522) 6.719 2.680 ( -2.359 6.895 -6.665) 9.875 2.680 ( -2.359 6.895 6.665) 9.875 2.783 ( 2.722 6.890 -2.924) 7.965 2.783 ( 2.722 6.890 2.924) 7.965 2.932 ( -1.393 1.529 -3.174) 3.789 2.932 ( -1.393 1.528 3.174) 3.789 3.088 ( 1.745 5.000 -3.213) 6.194 3.088 ( 1.745 5.000 3.213) 6.194 3.231 ( -3.614 3.477 -4.915) 7.022 3.231 ( -3.614 3.477 4.915) 7.022 3.834 ( 7.386 -1.077 -2.639) 7.917 3.834 ( 7.386 -1.077 2.639) 7.917 3.959 ( 1.070 -2.287 -2.356) 3.453 3.959 ( 1.070 -2.287 2.356) 3.453 4.229 ( 5.998 3.875 -1.180) 7.238 4.229 ( 5.998 3.875 1.180) 7.238 4.366 ( -6.439 2.356 -2.236) 7.211 4.366 ( -6.439 2.356 2.236) 7.211 4.551 ( 3.739 3.365 -1.701) 5.310 4.551 ( 3.739 3.365 1.701) 5.310 4.607 ( -4.045 1.681 -3.339) 5.508 4.607 ( -4.045 1.681 3.339) 5.508 4.836 ( 12.585 1.380 -3.265) 13.075 4.836 ( 12.585 1.380 3.265) 13.075 5.125 ( -11.860 1.737 -2.957) 12.346 5.125 ( -11.860 1.737 2.957) 12.346 5.665 ( 4.566 1.117 -0.515) 4.728 5.665 ( 4.566 1.117 0.515) 4.728 5.716 ( 0.949 0.280 -1.647) 1.921 5.716 ( 0.949 0.280 1.647) 1.921 6.248 ( 7.821 2.201 -1.668) 8.294 6.248 ( 7.821 2.201 1.668) 8.294 6.458 ( -8.586 5.755 -2.663) 10.674 6.458 ( -8.586 5.755 2.663) 10.674 6.889 ( 1.273 7.002 -2.234) 7.459 6.889 ( 1.273 7.002 2.234) 7.459 6.995 ( -6.929 7.657 -1.392) 10.420 6.995 ( -6.929 7.657 1.392) 10.420 7.635 ( -0.083 -1.757 -3.610) 4.016 7.635 ( -0.083 -1.757 3.610) 4.016 7.771 ( -2.055 1.204 -1.254) 2.692 7.771 ( -2.055 1.204 1.254) 2.692 7.924 ( -0.066 2.327 -2.331) 3.295 7.924 ( -0.066 2.328 2.331) 3.295 8.129 ( -2.834 5.107 -1.313) 5.987 8.129 ( -2.834 5.107 1.313) 5.987 8.584 ( 8.427 -0.926 -3.940) 9.349 8.584 ( 8.427 -0.926 3.940) 9.349 8.818 ( -9.305 -0.425 -1.941) 9.515 8.818 ( -9.305 -0.425 1.941) 9.515 9.196 ( -0.462 6.603 -5.458) 8.579 9.196 ( -0.462 6.603 5.458) 8.579 9.369 ( -3.050 7.298 -6.450) 10.206 9.369 ( -3.050 7.298 6.450) 10.206 10.099 ( 8.009 -1.665 -4.374) 9.276 10.099 ( 8.009 -1.665 4.374) 9.276 10.198 ( -2.395 -1.671 -4.222) 5.133 10.198 ( -2.395 -1.671 4.222) 5.133 12.141 ( 1.062 0.523 -3.618) 3.807 12.141 ( 1.062 0.523 3.618) 3.807 12.274 ( -1.618 1.662 -3.710) 4.376 12.274 ( -1.618 1.662 3.710) 4.376 13.583 ( 4.136 2.232 -2.194) 5.187 13.583 ( 4.136 2.232 2.194) 5.187 13.687 ( -2.787 3.055 -1.778) 4.502 13.687 ( -2.787 3.055 1.778) 4.502 15.142 ( 2.016 -0.238 -1.528) 2.541 15.142 ( 2.016 -0.238 1.529) 2.541 15.190 ( -2.314 -0.184 -2.030) 3.084 15.190 ( -2.314 -0.184 2.030) 3.084 15.615 ( 2.404 -0.862 -2.450) 3.539 15.615 ( 2.404 -0.862 2.450) 3.539 15.732 ( -4.223 0.449 -2.193) 4.780 15.732 ( -4.223 0.449 2.193) 4.780 17.715 ( 1.662 0.213 -1.274) 2.105 17.715 ( 1.662 0.213 1.274) 2.105 17.759 ( -0.191 -0.093 -1.659) 1.672 17.759 ( -0.191 -0.093 1.659) 1.672 18.129 ( 0.115 -0.969 -2.496) 2.680 18.129 ( 0.115 -0.969 2.496) 2.680 18.198 ( -1.375 -1.979 -3.864) 4.554 18.198 ( -1.375 -1.979 3.864) 4.554 18.394 ( 0.275 -1.150 -2.002) 2.325 18.394 ( 0.275 -1.150 2.002) 2.325 18.435 ( -2.322 -2.447 -1.878) 3.861 18.435 ( -2.322 -2.447 1.878) 3.861 18.876 ( 5.625 -5.810 -5.831) 9.970 18.876 ( 5.625 -5.810 5.831) 9.970 18.966 ( -3.329 -5.138 -4.763) 7.757 18.966 ( -3.329 -5.138 4.763) 7.757 19.750 ( 7.926 -4.634 -0.260) 9.185 19.750 ( 7.926 -4.634 0.260) 9.185 19.881 ( -5.727 -4.070 -0.245) 7.030 19.881 ( -5.727 -4.070 0.245) 7.030 ======================= Grid point 170 (55/63) ======================= q-point: ( 0.00 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 57 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.350 ( 0.000 4.703 -0.300) 4.713 1.350 ( 0.000 4.703 0.300) 4.713 1.464 ( 0.000 8.089 -3.971) 9.011 1.464 ( 0.000 8.088 3.971) 9.010 1.694 ( 0.000 -0.676 -2.967) 3.043 1.694 ( 0.000 -0.676 2.967) 3.043 1.818 ( 0.000 5.705 -1.859) 6.000 1.818 ( 0.000 5.705 1.859) 6.000 1.973 ( 0.000 -0.408 -0.284) 0.497 1.973 ( 0.000 -0.408 0.284) 0.497 2.479 ( 0.000 2.026 -4.796) 5.206 2.479 ( 0.000 2.026 4.796) 5.206 2.560 ( 0.000 -5.390 -0.253) 5.396 2.560 ( 0.000 -5.391 0.253) 5.396 2.706 ( 0.000 -1.599 -2.782) 3.208 2.706 ( 0.000 -1.599 2.782) 3.208 2.912 ( 0.000 0.278 -0.883) 0.925 2.912 ( 0.000 0.278 0.883) 0.926 3.001 ( 0.000 7.023 -0.260) 7.028 3.001 ( 0.000 7.023 0.260) 7.028 3.274 ( 0.000 8.967 -0.975) 9.020 3.274 ( 0.000 8.967 0.975) 9.020 3.377 ( 0.000 10.034 -8.250) 12.990 3.377 ( 0.000 10.034 8.250) 12.990 3.560 ( 0.000 7.323 -6.871) 10.042 3.560 ( 0.000 7.323 6.871) 10.042 3.889 ( 0.000 -1.463 -0.710) 1.627 3.889 ( 0.000 -1.463 0.710) 1.627 3.995 ( 0.000 1.400 -0.097) 1.403 3.995 ( 0.000 1.400 0.097) 1.403 4.382 ( 0.000 -2.369 -6.330) 6.758 4.382 ( 0.000 -2.369 6.330) 6.758 4.538 ( 0.000 4.102 -4.929) 6.413 4.538 ( 0.000 4.102 4.929) 6.413 4.719 ( 0.000 0.584 -0.146) 0.602 4.719 ( 0.000 0.584 0.146) 0.602 5.015 ( 0.000 -0.465 -2.070) 2.122 5.015 ( 0.000 -0.465 2.070) 2.122 5.227 ( 0.000 0.693 -1.569) 1.715 5.227 ( 0.000 0.693 1.569) 1.715 5.313 ( 0.000 -0.119 -0.390) 0.408 5.313 ( 0.000 -0.119 0.390) 0.408 5.653 ( 0.000 1.957 -1.569) 2.509 5.653 ( 0.000 1.957 1.569) 2.509 6.392 ( 0.000 2.627 -3.475) 4.356 6.392 ( 0.000 2.627 3.475) 4.356 6.756 ( 0.000 9.885 -2.714) 10.251 6.756 ( 0.000 9.885 2.714) 10.251 6.947 ( 0.000 1.728 -2.395) 2.953 6.947 ( 0.000 1.727 2.395) 2.953 7.223 ( 0.000 -0.966 -1.331) 1.644 7.223 ( 0.000 -0.966 1.331) 1.644 7.642 ( 0.000 -4.499 -0.355) 4.513 7.642 ( 0.000 -4.499 0.355) 4.513 7.792 ( 0.000 -0.147 -2.577) 2.581 7.792 ( 0.000 -0.147 2.577) 2.581 8.101 ( 0.000 4.120 -3.582) 5.460 8.101 ( 0.000 4.120 3.582) 5.460 8.269 ( 0.000 3.271 -2.464) 4.095 8.269 ( 0.000 3.271 2.463) 4.095 8.433 ( 0.000 6.835 -0.233) 6.839 8.433 ( 0.000 6.835 0.233) 6.839 9.227 ( 0.000 3.026 -0.078) 3.027 9.227 ( 0.000 3.026 0.078) 3.027 9.351 ( 0.000 1.769 -0.335) 1.800 9.351 ( 0.000 1.769 0.335) 1.800 9.551 ( 0.000 1.692 -3.158) 3.583 9.551 ( 0.000 1.692 3.158) 3.583 9.751 ( 0.000 0.056 -6.230) 6.231 9.751 ( 0.000 0.057 6.231) 6.231 10.155 ( 0.000 -0.886 -3.366) 3.480 10.155 ( 0.000 -0.886 3.366) 3.480 12.113 ( 0.000 0.438 -0.663) 0.795 12.113 ( 0.000 0.438 0.663) 0.795 12.350 ( 0.000 0.665 -3.849) 3.906 12.350 ( 0.000 0.665 3.849) 3.906 13.508 ( 0.000 1.098 -2.797) 3.005 13.508 ( 0.000 1.098 2.797) 3.005 13.804 ( 0.000 3.130 -2.161) 3.804 13.804 ( 0.000 3.130 2.161) 3.804 15.105 ( 0.000 0.211 -0.222) 0.306 15.105 ( 0.000 0.211 0.222) 0.306 15.249 ( 0.000 0.304 -1.833) 1.858 15.249 ( 0.000 0.304 1.833) 1.858 15.514 ( 0.000 -2.193 -0.360) 2.222 15.514 ( 0.000 -2.193 0.360) 2.222 15.887 ( 0.000 0.762 -0.486) 0.904 15.887 ( 0.000 0.762 0.486) 0.904 17.630 ( 0.000 -0.560 -0.377) 0.675 17.630 ( 0.000 -0.560 0.377) 0.675 17.720 ( 0.000 -1.436 -0.170) 1.446 17.720 ( 0.000 -1.436 0.170) 1.446 18.178 ( 0.000 -2.512 -2.463) 3.518 18.178 ( 0.000 -2.512 2.463) 3.518 18.209 ( 0.000 -3.198 -6.624) 7.356 18.209 ( 0.000 -3.198 6.624) 7.356 18.350 ( 0.000 -1.458 -1.851) 2.357 18.350 ( 0.000 -1.458 1.851) 2.357 18.424 ( 0.000 -0.347 -2.266) 2.292 18.424 ( 0.000 -0.347 2.266) 2.292 18.620 ( 0.000 -3.067 -0.494) 3.107 18.620 ( 0.000 -3.067 0.494) 3.107 18.979 ( 0.000 -1.759 -0.595) 1.857 18.979 ( 0.000 -1.759 0.595) 1.857 19.477 ( 0.000 -1.867 -0.895) 2.071 19.477 ( 0.000 -1.867 0.895) 2.071 19.930 ( 0.000 -2.548 -0.219) 2.557 19.930 ( 0.000 -2.548 0.219) 2.557 ======================= Grid point 172 (56/63) ======================= q-point: ( 0.20 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 91 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.330 ( -2.100 6.727 -6.404) 9.522 1.330 ( -2.100 6.727 6.404) 9.522 1.489 ( 2.604 5.523 -7.535) 9.699 1.489 ( 2.604 5.523 7.535) 9.699 1.680 ( -0.469 2.449 -2.183) 3.314 1.680 ( -0.469 2.449 2.183) 3.314 1.819 ( -0.486 2.206 -1.869) 2.932 1.819 ( -0.486 2.206 1.869) 2.932 1.996 ( 1.962 3.419 -2.886) 4.886 1.996 ( 1.962 3.419 2.886) 4.886 2.398 ( -9.903 0.055 -4.688) 10.957 2.398 ( -9.903 0.055 4.688) 10.957 2.502 ( -2.733 -2.122 -3.588) 4.984 2.502 ( -2.733 -2.122 3.588) 4.984 2.737 ( 1.845 -0.504 -4.183) 4.600 2.737 ( 1.845 -0.505 4.183) 4.600 2.845 ( -2.824 1.978 -3.046) 4.601 2.845 ( -2.824 1.978 3.046) 4.601 3.024 ( 0.304 3.368 -2.112) 3.987 3.024 ( 0.304 3.368 2.112) 3.987 3.252 ( -4.351 6.565 -3.751) 8.723 3.252 ( -4.351 6.565 3.751) 8.723 3.329 ( -0.756 6.166 -3.905) 7.338 3.329 ( -0.756 6.166 3.905) 7.338 3.685 ( 9.675 5.303 -6.060) 12.588 3.685 ( 9.675 5.303 6.060) 12.588 3.908 ( 3.390 2.253 -1.616) 4.379 3.908 ( 3.390 2.253 1.616) 4.379 4.141 ( 10.558 1.696 -0.973) 10.738 4.141 ( 10.558 1.696 0.973) 10.738 4.433 ( 5.267 -0.649 -4.214) 6.776 4.433 ( 5.267 -0.649 4.214) 6.776 4.533 ( -0.425 3.394 -3.243) 4.713 4.533 ( -0.425 3.394 3.243) 4.713 4.728 ( 1.077 0.490 -2.198) 2.496 4.728 ( 1.077 0.490 2.198) 2.496 4.801 ( -11.705 1.262 -4.450) 12.585 4.801 ( -11.705 1.262 4.450) 12.585 5.283 ( -2.026 1.108 -1.706) 2.870 5.283 ( -2.026 1.108 1.706) 2.870 5.491 ( 15.078 -0.967 -1.660) 15.200 5.491 ( 15.078 -0.967 1.660) 15.200 5.671 ( 1.984 1.545 -1.635) 3.000 5.671 ( 1.984 1.545 1.635) 3.000 6.300 ( -6.423 2.443 -2.570) 7.337 6.300 ( -6.423 2.444 2.570) 7.337 6.725 ( -5.886 6.773 -3.415) 9.601 6.725 ( -5.886 6.773 3.415) 9.601 6.968 ( 2.558 2.957 -4.055) 5.633 6.968 ( 2.558 2.957 4.055) 5.633 7.193 ( -2.030 2.685 -1.898) 3.864 7.193 ( -2.029 2.685 1.898) 3.864 7.619 ( -2.342 -3.276 -1.661) 4.355 7.619 ( -2.341 -3.276 1.661) 4.355 7.779 ( -0.765 -1.262 -1.957) 2.451 7.779 ( -0.765 -1.262 1.957) 2.451 8.078 ( -3.814 5.942 -3.314) 7.800 8.078 ( -3.814 5.942 3.314) 7.800 8.255 ( -0.453 2.488 -4.100) 4.817 8.255 ( -0.453 2.488 4.100) 4.817 8.466 ( 3.540 3.765 -2.760) 5.859 8.466 ( 3.540 3.765 2.760) 5.859 9.048 ( -13.971 1.070 -0.373) 14.017 9.048 ( -13.971 1.070 0.373) 14.017 9.322 ( -1.061 3.844 -3.009) 4.995 9.322 ( -1.061 3.844 3.009) 4.995 9.560 ( -2.218 4.357 -5.746) 7.544 9.560 ( -2.218 4.357 5.746) 7.544 9.878 ( 10.963 -1.316 -4.107) 11.780 9.878 ( 10.962 -1.316 4.107) 11.780 10.172 ( 1.034 -1.258 -3.502) 3.862 10.172 ( 1.034 -1.258 3.502) 3.862 12.127 ( 1.370 0.566 -2.073) 2.548 12.127 ( 1.370 0.566 2.073) 2.548 12.335 ( -1.455 0.948 -3.707) 4.093 12.335 ( -1.455 0.948 3.707) 4.093 13.542 ( 3.446 1.250 -2.436) 4.401 13.542 ( 3.446 1.250 2.435) 4.401 13.789 ( -1.602 2.900 -1.887) 3.812 13.789 ( -1.602 2.900 1.887) 3.812 15.112 ( 0.729 -0.062 -0.847) 1.119 15.112 ( 0.729 -0.062 0.847) 1.119 15.231 ( -1.852 0.163 -1.794) 2.584 15.231 ( -1.852 0.163 1.794) 2.584 15.538 ( 2.480 -1.672 -1.202) 3.223 15.538 ( 2.480 -1.672 1.202) 3.223 15.840 ( -4.577 0.732 -0.824) 4.708 15.840 ( -4.577 0.732 0.824) 4.708 17.666 ( 3.236 -0.240 -0.418) 3.271 17.666 ( 3.236 -0.240 0.418) 3.271 17.731 ( 1.107 -1.214 -0.794) 1.825 17.731 ( 1.107 -1.214 0.794) 1.825 18.151 ( -2.890 -1.069 -1.310) 3.348 18.151 ( -2.890 -1.069 1.310) 3.348 18.180 ( -1.252 -2.118 -0.850) 2.604 18.180 ( -1.252 -2.118 0.850) 2.604 18.357 ( 0.463 -1.918 -1.042) 2.231 18.357 ( 0.463 -1.918 1.042) 2.231 18.424 ( -0.750 -1.300 -2.714) 3.101 18.424 ( -0.750 -1.300 2.714) 3.101 18.667 ( 4.473 -3.927 -2.755) 6.559 18.667 ( 4.473 -3.927 2.755) 6.559 18.949 ( -3.140 -2.532 -1.415) 4.275 18.949 ( -3.140 -2.532 1.415) 4.275 19.538 ( 6.046 -2.245 -0.312) 6.457 19.538 ( 6.046 -2.245 0.312) 6.457 19.900 ( -3.217 -2.629 -0.203) 4.160 19.900 ( -3.217 -2.629 0.203) 4.160 ======================= Grid point 174 (57/63) ======================= q-point: ( 0.40 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 91 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.290 ( -1.384 9.543 -6.913) 11.865 1.290 ( -1.384 9.543 6.913) 11.865 1.546 ( 2.537 0.796 -7.650) 8.099 1.546 ( 2.537 0.796 7.650) 8.099 1.680 ( 0.056 4.687 -6.417) 7.946 1.680 ( 0.056 4.687 6.417) 7.946 1.799 ( -1.175 3.224 -4.800) 5.901 1.799 ( -1.175 3.224 4.800) 5.901 2.048 ( 4.377 6.575 -3.525) 8.650 2.048 ( 4.377 6.575 3.525) 8.650 2.186 ( -10.282 5.315 -0.933) 11.612 2.186 ( -10.282 5.315 0.933) 11.612 2.473 ( -0.600 -6.216 -7.860) 10.039 2.473 ( -0.600 -6.216 7.860) 10.039 2.751 ( 0.015 -0.240 -3.451) 3.460 2.751 ( 0.015 -0.240 3.451) 3.460 2.857 ( 3.234 -0.342 -6.269) 7.062 2.857 ( 3.234 -0.342 6.269) 7.063 2.968 ( -5.148 0.822 -5.972) 7.927 2.968 ( -5.148 0.822 5.972) 7.927 3.227 ( 2.031 7.287 -3.372) 8.282 3.227 ( 2.031 7.287 3.372) 8.282 3.307 ( -2.236 3.903 -2.921) 5.364 3.307 ( -2.236 3.903 2.921) 5.364 3.842 ( 6.345 2.190 -2.222) 7.071 3.842 ( 6.345 2.190 2.222) 7.071 3.961 ( 0.207 2.223 -2.055) 3.035 3.961 ( 0.207 2.223 2.055) 3.035 4.296 ( 6.138 2.721 -1.130) 6.809 4.296 ( 6.138 2.721 1.130) 6.809 4.418 ( -5.993 2.813 -0.989) 6.693 4.418 ( -5.993 2.813 0.989) 6.693 4.610 ( 4.692 2.367 -2.556) 5.844 4.610 ( 4.692 2.367 2.556) 5.844 4.661 ( -2.704 3.347 -5.712) 7.151 4.661 ( -2.704 3.347 5.712) 7.151 4.858 ( 13.812 0.787 -2.550) 14.067 4.858 ( 13.812 0.787 2.550) 14.067 5.154 ( -12.357 1.184 -2.076) 12.586 5.154 ( -12.357 1.184 2.076) 12.586 5.683 ( 4.774 0.541 -1.548) 5.048 5.683 ( 4.774 0.541 1.548) 5.048 5.718 ( 1.585 -0.005 -2.210) 2.719 5.718 ( 1.585 -0.005 2.210) 2.719 6.283 ( 6.149 1.389 -1.513) 6.483 6.283 ( 6.149 1.389 1.513) 6.483 6.530 ( -12.562 1.902 -1.410) 12.783 6.530 ( -12.562 1.902 1.410) 12.783 7.033 ( 3.795 6.641 -2.106) 7.933 7.033 ( 3.795 6.641 2.106) 7.933 7.149 ( -3.045 7.022 -1.424) 7.785 7.149 ( -3.045 7.022 1.424) 7.785 7.588 ( -0.411 -2.730 -2.888) 3.995 7.588 ( -0.411 -2.730 2.888) 3.995 7.764 ( -0.817 -1.294 -1.798) 2.362 7.764 ( -0.817 -1.295 1.798) 2.362 7.996 ( -3.072 4.001 -2.077) 5.455 7.996 ( -3.072 4.001 2.077) 5.455 8.234 ( -1.437 4.835 -0.778) 5.104 8.234 ( -1.437 4.835 0.778) 5.104 8.573 ( 6.748 -0.111 -2.808) 7.309 8.573 ( 6.748 -0.111 2.808) 7.309 8.812 ( -9.765 0.004 -1.380) 9.862 8.812 ( -9.765 0.004 1.380) 9.862 9.321 ( 0.605 5.520 -5.966) 8.150 9.321 ( 0.605 5.520 5.966) 8.150 9.501 ( -2.614 5.582 -5.862) 8.506 9.501 ( -2.615 5.582 5.862) 8.506 10.065 ( 7.845 -1.637 -3.831) 8.882 10.065 ( 7.845 -1.637 3.831) 8.882 10.164 ( -2.477 -1.606 -3.570) 4.632 10.164 ( -2.477 -1.606 3.570) 4.632 12.155 ( 1.106 0.740 -3.933) 4.152 12.155 ( 1.106 0.740 3.933) 4.152 12.306 ( -1.170 1.413 -3.855) 4.269 12.306 ( -1.170 1.413 3.855) 4.269 13.621 ( 3.942 1.448 -2.281) 4.779 13.621 ( 3.942 1.448 2.281) 4.779 13.745 ( -2.724 2.545 -1.993) 4.227 13.745 ( -2.724 2.545 1.993) 4.227 15.136 ( 1.870 -0.366 -1.384) 2.355 15.136 ( 1.870 -0.366 1.384) 2.355 15.185 ( -2.670 -0.238 -1.579) 3.111 15.185 ( -2.670 -0.238 1.579) 3.111 15.601 ( 3.628 -0.540 -2.030) 4.193 15.601 ( 3.628 -0.540 2.030) 4.193 15.742 ( -4.806 0.458 -1.726) 5.127 15.742 ( -4.806 0.458 1.726) 5.127 17.718 ( 1.609 0.055 -0.871) 1.830 17.718 ( 1.609 0.055 0.871) 1.830 17.754 ( 0.942 -0.397 -1.112) 1.510 17.754 ( 0.942 -0.397 1.112) 1.510 18.117 ( -0.366 -0.205 -0.732) 0.844 18.117 ( -0.366 -0.205 0.732) 0.844 18.158 ( -1.029 -1.802 -2.569) 3.302 18.158 ( -1.029 -1.802 2.569) 3.302 18.368 ( 0.859 -1.745 -0.950) 2.164 18.368 ( 0.859 -1.745 0.950) 2.164 18.396 ( -1.733 -1.087 -2.742) 3.421 18.396 ( -1.733 -1.087 2.742) 3.421 18.764 ( 5.427 -4.939 -3.629) 8.186 18.764 ( 5.427 -4.939 3.629) 8.186 18.869 ( -4.992 -4.150 -2.719) 7.038 18.869 ( -4.992 -4.150 2.719) 7.038 19.676 ( 7.804 -2.746 -0.243) 8.276 19.676 ( 7.804 -2.746 0.243) 8.276 19.811 ( -6.131 -2.791 -0.236) 6.741 19.811 ( -6.131 -2.791 0.236) 6.741 ======================= Grid point 180 (58/63) ======================= q-point: ( 0.00 0.42 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.384 ( 0.000 0.138 -2.757) 2.760 1.384 ( 0.000 0.138 2.757) 2.760 1.637 ( 0.000 6.700 -0.744) 6.741 1.637 ( 0.000 6.700 0.744) 6.741 1.698 ( 0.000 1.901 -2.053) 2.798 1.698 ( 0.000 1.902 2.053) 2.799 1.886 ( 0.000 -0.036 -0.575) 0.576 1.886 ( 0.000 -0.036 0.575) 0.576 1.994 ( 0.000 3.120 -0.022) 3.120 1.994 ( 0.000 3.120 0.022) 3.120 2.414 ( 0.000 -7.615 -0.508) 7.632 2.414 ( 0.000 -7.615 0.508) 7.632 2.477 ( 0.000 -1.273 -2.224) 2.563 2.477 ( 0.000 -1.273 2.225) 2.563 2.676 ( 0.000 -0.578 -2.288) 2.360 2.676 ( 0.000 -0.577 2.288) 2.360 2.900 ( 0.000 -0.984 -0.773) 1.251 2.900 ( 0.000 -0.984 0.773) 1.251 3.121 ( 0.000 3.897 -0.190) 3.902 3.121 ( 0.000 3.897 0.190) 3.901 3.322 ( 0.000 0.195 -1.169) 1.185 3.322 ( 0.000 0.195 1.169) 1.185 3.612 ( 0.000 8.786 -1.361) 8.891 3.612 ( 0.000 8.786 1.361) 8.891 3.734 ( 0.000 5.633 -6.867) 8.882 3.734 ( 0.000 5.633 6.867) 8.882 3.918 ( 0.000 5.764 -2.096) 6.133 3.918 ( 0.000 5.764 2.095) 6.133 4.021 ( 0.000 1.603 -0.826) 1.803 4.021 ( 0.000 1.603 0.826) 1.803 4.303 ( 0.000 -5.493 -6.939) 8.850 4.303 ( 0.000 -5.493 6.939) 8.850 4.598 ( 0.000 1.492 -1.987) 2.485 4.598 ( 0.000 1.492 1.987) 2.485 4.733 ( 0.000 0.909 -0.639) 1.111 4.733 ( 0.000 0.909 0.639) 1.111 5.004 ( 0.000 -0.524 -1.276) 1.379 5.004 ( 0.000 -0.524 1.276) 1.379 5.245 ( 0.000 0.862 -0.596) 1.048 5.245 ( 0.000 0.862 0.596) 1.048 5.314 ( 0.000 0.176 -0.032) 0.178 5.314 ( 0.000 0.176 0.031) 0.178 5.682 ( 0.000 0.980 -1.215) 1.561 5.682 ( 0.000 0.980 1.215) 1.561 6.434 ( 0.000 1.435 -1.996) 2.459 6.434 ( 0.000 1.436 1.997) 2.459 6.893 ( 0.000 3.164 -1.732) 3.607 6.893 ( 0.000 3.164 1.732) 3.607 6.989 ( 0.000 2.874 -1.621) 3.300 6.989 ( 0.000 2.874 1.621) 3.300 7.207 ( 0.000 -0.605 -0.548) 0.817 7.207 ( 0.000 -0.605 0.548) 0.817 7.554 ( 0.000 -3.629 -0.537) 3.669 7.554 ( 0.000 -3.629 0.537) 3.669 7.783 ( 0.000 -0.536 -1.364) 1.466 7.783 ( 0.000 -0.536 1.364) 1.466 8.158 ( 0.000 1.777 -1.504) 2.328 8.158 ( 0.000 1.776 1.504) 2.327 8.342 ( 0.000 3.160 -0.270) 3.171 8.342 ( 0.000 3.160 0.270) 3.172 8.551 ( 0.000 4.285 -0.431) 4.307 8.551 ( 0.000 4.285 0.431) 4.306 9.282 ( 0.000 2.227 -0.048) 2.227 9.282 ( 0.000 2.227 0.048) 2.227 9.378 ( 0.000 0.840 -0.367) 0.917 9.378 ( 0.000 0.840 0.367) 0.917 9.556 ( 0.000 -0.596 -0.144) 0.614 9.556 ( 0.000 -0.596 0.144) 0.614 9.765 ( 0.000 0.892 -4.847) 4.929 9.765 ( 0.000 0.894 4.848) 4.930 10.142 ( 0.000 -0.430 -2.042) 2.087 10.142 ( 0.000 -0.430 2.042) 2.087 12.122 ( 0.000 0.361 -0.480) 0.601 12.122 ( 0.000 0.361 0.480) 0.600 12.361 ( 0.000 0.412 -2.110) 2.150 12.361 ( 0.000 0.412 2.110) 2.150 13.522 ( 0.000 0.379 -1.334) 1.387 13.522 ( 0.000 0.379 1.334) 1.387 13.857 ( 0.000 1.939 -1.090) 2.224 13.857 ( 0.000 1.938 1.090) 2.224 15.109 ( 0.000 0.126 -0.080) 0.149 15.109 ( 0.000 0.126 0.080) 0.149 15.253 ( 0.000 0.134 -0.905) 0.915 15.253 ( 0.000 0.134 0.905) 0.915 15.478 ( 0.000 -1.265 -0.280) 1.295 15.478 ( 0.000 -1.265 0.280) 1.295 15.900 ( 0.000 0.485 -0.264) 0.552 15.900 ( 0.000 0.485 0.264) 0.552 17.621 ( 0.000 -0.276 -0.141) 0.310 17.621 ( 0.000 -0.276 0.141) 0.310 17.692 ( 0.000 -1.127 -0.080) 1.129 17.692 ( 0.000 -1.127 0.080) 1.129 18.138 ( 0.000 -1.308 -0.762) 1.514 18.138 ( 0.000 -1.308 0.762) 1.514 18.161 ( 0.000 -1.645 -3.404) 3.781 18.161 ( 0.000 -1.645 3.404) 3.781 18.323 ( 0.000 -1.025 -0.836) 1.323 18.323 ( 0.000 -1.025 0.836) 1.323 18.425 ( 0.000 0.192 -0.978) 0.996 18.425 ( 0.000 0.192 0.978) 0.996 18.571 ( 0.000 -1.719 -0.181) 1.728 18.571 ( 0.000 -1.719 0.181) 1.728 18.953 ( 0.000 -0.849 -0.385) 0.932 18.953 ( 0.000 -0.849 0.385) 0.932 19.450 ( 0.000 -0.837 -0.251) 0.874 19.450 ( 0.000 -0.837 0.251) 0.874 19.890 ( 0.000 -1.367 -0.103) 1.371 19.890 ( 0.000 -1.367 0.103) 1.371 ======================= Grid point 182 (59/63) ======================= q-point: ( 0.20 0.42 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.397 ( 1.275 0.941 -6.036) 6.240 1.397 ( 1.275 0.941 6.036) 6.240 1.587 ( -4.031 3.532 -5.498) 7.678 1.587 ( -4.031 3.532 5.498) 7.678 1.735 ( 2.581 2.053 -3.975) 5.165 1.735 ( 2.581 2.053 3.975) 5.165 1.864 ( -0.184 2.916 -1.792) 3.427 1.864 ( -0.184 2.916 1.792) 3.427 2.069 ( 5.568 3.407 -1.927) 6.806 2.069 ( 5.568 3.407 1.927) 6.806 2.333 ( -5.184 -5.073 -5.983) 9.403 2.333 ( -5.184 -5.073 5.984) 9.403 2.487 ( -2.187 0.510 -4.687) 5.197 2.487 ( -2.187 0.510 4.687) 5.197 2.685 ( 1.247 -3.059 -3.643) 4.918 2.685 ( 1.246 -3.059 3.644) 4.918 2.866 ( -3.527 0.109 -4.572) 5.775 2.866 ( -3.527 0.109 4.572) 5.775 3.056 ( -6.339 0.198 -1.607) 6.542 3.056 ( -6.338 0.198 1.607) 6.542 3.313 ( -1.208 1.196 -1.038) 1.992 3.313 ( -1.209 1.196 1.038) 1.992 3.460 ( -5.795 4.621 -3.251) 8.093 3.460 ( -5.795 4.621 3.251) 8.094 3.836 ( 4.196 7.336 -6.840) 10.873 3.836 ( 4.196 7.336 6.840) 10.873 3.969 ( 4.615 3.244 -1.528) 5.844 3.969 ( 4.615 3.244 1.528) 5.844 4.182 ( 11.549 2.430 -0.984) 11.843 4.182 ( 11.549 2.430 0.984) 11.843 4.399 ( 10.890 -2.462 -4.021) 11.867 4.399 ( 10.890 -2.462 4.021) 11.867 4.586 ( -2.141 1.629 -1.692) 3.178 4.586 ( -2.142 1.629 1.692) 3.179 4.731 ( 0.269 0.104 -1.160) 1.195 4.731 ( 0.269 0.104 1.160) 1.195 4.831 ( -8.769 1.319 -3.082) 9.388 4.831 ( -8.769 1.319 3.082) 9.388 5.300 ( -1.994 0.580 -0.708) 2.194 5.300 ( -1.994 0.580 0.708) 2.194 5.476 ( 14.941 -0.444 -1.289) 15.004 5.476 ( 14.941 -0.444 1.289) 15.004 5.695 ( 1.300 0.817 -1.510) 2.154 5.695 ( 1.300 0.817 1.510) 2.154 6.339 ( -6.678 1.335 -1.325) 6.938 6.339 ( -6.678 1.336 1.326) 6.938 6.805 ( -11.766 1.742 -1.804) 12.030 6.805 ( -11.766 1.742 1.804) 12.030 7.024 ( 6.431 2.191 -2.954) 7.409 7.024 ( 6.431 2.191 2.954) 7.409 7.251 ( 2.714 2.786 -1.050) 4.029 7.251 ( 2.714 2.786 1.050) 4.029 7.551 ( -0.744 -3.091 -1.314) 3.440 7.551 ( -0.744 -3.091 1.314) 3.440 7.752 ( -2.021 -1.133 -1.198) 2.608 7.752 ( -2.021 -1.133 1.198) 2.608 8.175 ( -2.750 3.324 -2.818) 5.153 8.175 ( -2.750 3.324 2.818) 5.153 8.296 ( -0.639 1.610 -5.836) 6.088 8.296 ( -0.640 1.610 5.836) 6.088 8.537 ( -0.810 2.709 -2.595) 3.838 8.537 ( -0.810 2.709 2.595) 3.838 9.071 ( -15.145 1.070 -0.624) 15.196 9.071 ( -15.145 1.070 0.624) 15.196 9.384 ( 1.053 2.143 -2.967) 3.809 9.384 ( 1.053 2.144 2.967) 3.809 9.622 ( 0.178 1.881 -2.881) 3.445 9.622 ( 0.179 1.882 2.881) 3.445 9.859 ( 9.858 -0.496 -2.970) 10.307 9.859 ( 9.857 -0.495 2.970) 10.307 10.151 ( 0.453 -0.766 -2.309) 2.475 10.151 ( 0.453 -0.767 2.309) 2.475 12.138 ( 1.563 0.438 -2.130) 2.678 12.138 ( 1.563 0.438 2.130) 2.678 12.351 ( -1.036 0.575 -2.650) 2.903 12.351 ( -1.036 0.575 2.650) 2.903 13.559 ( 3.699 0.483 -1.356) 3.970 13.559 ( 3.699 0.484 1.356) 3.970 13.838 ( -2.025 1.753 -1.127) 2.906 13.838 ( -2.025 1.753 1.128) 2.906 15.110 ( 0.291 -0.109 -0.596) 0.672 15.110 ( 0.291 -0.109 0.596) 0.672 15.234 ( -2.105 0.099 -0.934) 2.305 15.234 ( -2.105 0.099 0.934) 2.305 15.511 ( 3.380 -0.929 -0.799) 3.596 15.511 ( 3.380 -0.929 0.799) 3.596 15.852 ( -4.671 0.454 -0.493) 4.719 15.852 ( -4.671 0.454 0.493) 4.719 17.662 ( 3.624 -0.130 -0.280) 3.637 17.662 ( 3.624 -0.130 0.280) 3.637 17.709 ( 1.635 -0.908 -0.442) 1.922 17.709 ( 1.635 -0.908 0.442) 1.922 18.130 ( -0.827 -0.766 -1.456) 1.841 18.130 ( -0.827 -0.766 1.456) 1.841 18.147 ( -0.968 -1.104 -1.851) 2.362 18.147 ( -0.968 -1.104 1.850) 2.362 18.324 ( 0.134 -1.228 -0.537) 1.347 18.324 ( 0.134 -1.228 0.537) 1.347 18.411 ( -1.276 -0.141 -1.581) 2.037 18.411 ( -1.276 -0.141 1.581) 2.037 18.602 ( 3.135 -2.344 -1.282) 4.119 18.602 ( 3.135 -2.344 1.282) 4.119 18.911 ( -4.314 -1.223 -0.617) 4.527 18.911 ( -4.314 -1.223 0.617) 4.527 19.506 ( 5.600 -0.972 -0.036) 5.684 19.506 ( 5.600 -0.972 0.036) 5.684 19.859 ( -3.292 -1.378 -0.108) 3.570 19.859 ( -3.292 -1.378 0.108) 3.570 ======================= Grid point 184 (60/63) ======================= q-point: ( 0.40 0.42 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.426 ( 1.493 3.078 -5.132) 6.168 1.426 ( 1.493 3.078 5.132) 6.168 1.517 ( -2.686 -1.878 -8.693) 9.290 1.517 ( -2.685 -1.878 8.693) 9.290 1.772 ( 1.199 4.730 -3.929) 6.265 1.772 ( 1.199 4.730 3.929) 6.265 1.879 ( 0.791 4.001 -2.906) 5.008 1.879 ( 0.791 4.001 2.906) 5.008 2.159 ( 2.814 4.428 -2.456) 5.793 2.159 ( 2.814 4.429 2.456) 5.793 2.284 ( 1.585 -0.632 -6.866) 7.075 2.284 ( 1.585 -0.632 6.866) 7.075 2.388 ( -7.057 1.966 -4.007) 8.350 2.388 ( -7.057 1.966 4.007) 8.350 2.715 ( 1.239 -2.753 -4.233) 5.199 2.715 ( 1.238 -2.753 4.233) 5.199 2.796 ( -2.522 -3.375 -2.720) 5.015 2.796 ( -2.522 -3.375 2.719) 5.014 2.935 ( -4.425 -4.000 -5.475) 8.097 2.935 ( -4.425 -4.000 5.475) 8.097 3.328 ( 2.584 2.713 -2.348) 4.422 3.328 ( 2.583 2.713 2.348) 4.422 3.393 ( -2.869 3.803 -0.816) 4.833 3.393 ( -2.869 3.803 0.816) 4.834 3.905 ( 2.911 3.146 -2.393) 4.909 3.905 ( 2.911 3.146 2.393) 4.910 4.021 ( 0.651 2.949 -2.058) 3.654 4.021 ( 0.651 2.949 2.058) 3.654 4.339 ( 5.071 1.504 -1.341) 5.456 4.339 ( 5.071 1.504 1.341) 5.457 4.473 ( -4.953 2.306 -1.204) 5.594 4.473 ( -4.953 2.306 1.204) 5.594 4.648 ( 7.038 1.297 -1.409) 7.294 4.648 ( 7.039 1.297 1.409) 7.294 4.724 ( -2.533 2.454 -3.222) 4.777 4.724 ( -2.533 2.454 3.222) 4.777 4.868 ( 15.094 0.179 -1.490) 15.168 4.868 ( 15.094 0.179 1.490) 15.168 5.173 ( -12.622 0.673 -1.021) 12.681 5.173 ( -12.622 0.673 1.021) 12.681 5.685 ( 5.909 -0.257 -1.832) 6.192 5.685 ( 5.909 -0.257 1.832) 6.192 5.721 ( 0.810 0.282 -2.322) 2.475 5.721 ( 0.810 0.282 2.322) 2.475 6.305 ( 4.311 0.734 -1.563) 4.644 6.305 ( 4.311 0.734 1.563) 4.644 6.553 ( -12.832 0.552 -1.049) 12.887 6.553 ( -12.832 0.552 1.049) 12.887 7.141 ( 4.836 3.737 -2.300) 6.530 7.141 ( 4.837 3.737 2.300) 6.530 7.268 ( -1.131 4.434 -1.126) 4.713 7.268 ( -1.131 4.434 1.125) 4.713 7.532 ( -0.592 -2.491 -2.006) 3.252 7.532 ( -0.592 -2.491 2.006) 3.252 7.735 ( -0.115 -1.352 -1.673) 2.154 7.735 ( -0.115 -1.352 1.673) 2.154 8.063 ( -4.894 2.393 -1.504) 5.652 8.063 ( -4.894 2.393 1.504) 5.652 8.311 ( -0.191 2.597 -1.633) 3.074 8.311 ( -0.191 2.597 1.633) 3.074 8.578 ( 5.320 0.493 -1.474) 5.542 8.578 ( 5.320 0.493 1.474) 5.542 8.818 ( -10.454 0.478 -0.640) 10.485 8.818 ( -10.454 0.478 0.640) 10.485 9.411 ( 1.340 3.175 -5.894) 6.828 9.411 ( 1.340 3.175 5.895) 6.828 9.590 ( -1.945 3.037 -4.109) 5.467 9.590 ( -1.945 3.037 4.109) 5.467 10.037 ( 7.592 -1.026 -2.790) 8.153 10.037 ( 7.591 -1.026 2.790) 8.153 10.136 ( -2.583 -1.066 -2.332) 3.640 10.136 ( -2.583 -1.066 2.332) 3.639 12.168 ( 1.193 0.554 -4.191) 4.392 12.168 ( 1.193 0.554 4.191) 4.392 12.329 ( -0.896 0.835 -4.019) 4.201 12.329 ( -0.896 0.835 4.019) 4.201 13.642 ( 4.089 0.687 -2.177) 4.683 13.642 ( 4.089 0.687 2.177) 4.683 13.786 ( -2.989 1.412 -2.140) 3.938 13.786 ( -2.989 1.412 2.140) 3.938 15.129 ( 1.852 -0.299 -0.829) 2.051 15.129 ( 1.852 -0.299 0.829) 2.051 15.181 ( -3.082 -0.168 -0.877) 3.209 15.181 ( -3.082 -0.168 0.877) 3.209 15.593 ( 4.552 -0.238 -1.402) 4.769 15.593 ( 4.552 -0.238 1.402) 4.769 15.750 ( -5.204 0.305 -1.188) 5.346 15.750 ( -5.204 0.305 1.188) 5.346 17.718 ( 1.568 -0.096 -0.480) 1.643 17.718 ( 1.568 -0.096 0.480) 1.643 17.746 ( 1.684 -0.321 -0.684) 1.846 17.746 ( 1.684 -0.321 0.684) 1.846 18.118 ( -0.056 0.063 -1.186) 1.189 18.118 ( -0.056 0.063 1.186) 1.189 18.130 ( -0.898 -0.784 -0.957) 1.529 18.130 ( -0.898 -0.784 0.957) 1.529 18.328 ( 0.211 -1.820 -0.492) 1.897 18.328 ( 0.211 -1.820 0.492) 1.897 18.388 ( -0.881 -0.015 -2.430) 2.585 18.388 ( -0.881 -0.015 2.430) 2.585 18.684 ( 5.402 -2.853 -1.738) 6.351 18.684 ( 5.402 -2.853 1.738) 6.351 18.805 ( -6.360 -2.137 -1.159) 6.809 18.805 ( -6.360 -2.137 1.159) 6.809 19.636 ( 7.512 -1.230 -0.223) 7.615 19.636 ( 7.512 -1.230 0.223) 7.615 19.769 ( -6.141 -1.369 -0.174) 6.294 19.769 ( -6.141 -1.369 0.174) 6.294 ======================= Grid point 190 (61/63) ======================= q-point: ( 0.00 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 33 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.383 ( 0.000 0.001 -0.000) 0.001 1.383 ( 0.000 0.001 0.000) 0.001 1.696 ( 0.000 0.000 -0.000) 0.000 1.696 ( 0.000 0.001 0.000) 0.001 1.736 ( 0.000 0.001 -0.000) 0.001 1.736 ( 0.000 0.001 -0.000) 0.001 1.879 ( 0.000 -0.000 -0.000) 0.000 1.879 ( 0.000 0.000 -0.000) 0.000 2.043 ( 0.000 0.000 -0.000) 0.000 2.043 ( 0.000 0.001 0.000) 0.001 2.313 ( 0.000 0.001 -0.000) 0.001 2.313 ( 0.000 0.001 0.000) 0.001 2.464 ( 0.000 0.002 -0.001) 0.002 2.464 ( 0.000 0.001 0.000) 0.001 2.673 ( 0.000 0.000 0.000) 0.000 2.673 ( 0.000 0.001 0.001) 0.001 2.887 ( 0.000 0.001 -0.000) 0.001 2.887 ( 0.000 0.001 -0.000) 0.001 3.158 ( 0.000 0.001 0.000) 0.001 3.158 ( 0.000 0.003 0.001) 0.003 3.324 ( 0.000 0.001 0.000) 0.001 3.324 ( 0.000 0.001 -0.000) 0.001 3.702 ( 0.000 0.003 -0.000) 0.003 3.702 ( 0.000 0.003 0.000) 0.003 3.773 ( 0.000 0.001 0.000) 0.001 3.773 ( 0.000 0.001 0.000) 0.001 3.990 ( 0.000 0.001 -0.000) 0.001 3.990 ( 0.000 0.001 0.000) 0.001 4.112 ( 0.000 0.001 -0.000) 0.001 4.112 ( 0.000 0.004 -0.001) 0.004 4.184 ( 0.000 0.001 -0.000) 0.001 4.184 ( 0.000 -0.000 0.001) 0.001 4.609 ( 0.000 0.000 -0.000) 0.001 4.609 ( 0.000 0.001 0.000) 0.001 4.745 ( 0.000 0.001 -0.000) 0.001 4.745 ( 0.000 0.001 0.000) 0.001 4.998 ( 0.000 0.001 -0.000) 0.001 4.998 ( 0.000 0.000 0.000) 0.001 5.255 ( 0.000 0.001 -0.000) 0.001 5.255 ( 0.000 0.001 -0.000) 0.001 5.317 ( 0.000 0.000 -0.000) 0.000 5.317 ( 0.000 0.000 0.000) 0.000 5.692 ( 0.000 0.001 -0.000) 0.001 5.692 ( 0.000 0.001 0.000) 0.001 6.448 ( 0.000 0.001 -0.000) 0.001 6.448 ( 0.000 0.002 0.001) 0.002 6.916 ( 0.000 0.001 -0.000) 0.002 6.916 ( 0.000 0.001 0.000) 0.001 7.028 ( 0.000 0.002 -0.001) 0.002 7.028 ( 0.000 0.001 0.001) 0.002 7.200 ( 0.000 0.000 -0.000) 0.000 7.200 ( 0.000 0.001 -0.000) 0.001 7.514 ( 0.000 0.000 -0.000) 0.000 7.514 ( 0.000 0.000 -0.000) 0.000 7.777 ( 0.000 0.000 0.000) 0.000 7.777 ( 0.000 0.001 0.000) 0.001 8.177 ( 0.000 0.001 -0.001) 0.001 8.177 ( 0.000 0.000 0.000) 0.001 8.376 ( 0.000 0.002 -0.001) 0.002 8.376 ( 0.000 0.001 0.000) 0.001 8.596 ( 0.000 0.001 0.000) 0.001 8.596 ( 0.000 0.003 0.001) 0.003 9.307 ( 0.000 0.000 0.000) 0.000 9.307 ( 0.000 0.000 -0.000) 0.000 9.386 ( 0.000 0.002 -0.000) 0.002 9.386 ( 0.000 0.002 0.000) 0.002 9.547 ( 0.000 0.000 -0.000) 0.000 9.547 ( 0.000 0.001 0.000) 0.001 9.775 ( 0.000 0.000 0.001) 0.001 9.775 ( 0.000 0.004 0.002) 0.004 10.138 ( 0.000 0.001 -0.000) 0.001 10.138 ( 0.000 0.001 -0.000) 0.001 12.126 ( 0.000 0.000 -0.000) 0.000 12.126 ( 0.000 0.000 0.000) 0.000 12.365 ( 0.000 0.000 -0.000) 0.000 12.365 ( 0.000 0.000 0.000) 0.000 13.526 ( 0.000 0.000 -0.000) 0.000 13.526 ( 0.000 0.001 -0.000) 0.001 13.877 ( 0.000 0.000 0.000) 0.000 13.877 ( 0.000 0.000 0.000) 0.000 15.110 ( 0.000 0.000 -0.000) 0.000 15.110 ( 0.000 0.000 0.000) 0.000 15.254 ( 0.000 0.000 -0.000) 0.000 15.254 ( 0.000 0.000 0.000) 0.000 15.465 ( 0.000 0.000 -0.000) 0.000 15.465 ( 0.000 0.000 0.000) 0.000 15.905 ( 0.000 0.000 -0.000) 0.000 15.905 ( 0.000 0.000 -0.000) 0.000 17.619 ( 0.000 0.000 -0.000) 0.000 17.619 ( 0.000 0.000 0.000) 0.000 17.680 ( 0.000 0.000 -0.000) 0.000 17.680 ( 0.000 0.000 0.000) 0.000 18.125 ( 0.000 0.000 -0.000) 0.000 18.125 ( 0.000 0.000 0.000) 0.000 18.143 ( 0.000 0.000 -0.000) 0.000 18.143 ( 0.000 0.000 0.000) 0.000 18.312 ( 0.000 0.000 -0.000) 0.000 18.312 ( 0.000 0.000 0.000) 0.000 18.427 ( 0.000 0.000 -0.000) 0.000 18.427 ( 0.000 0.000 -0.000) 0.000 18.553 ( 0.000 0.000 -0.000) 0.000 18.553 ( 0.000 0.000 0.000) 0.000 18.944 ( 0.000 0.000 0.000) 0.000 18.944 ( 0.000 0.000 0.000) 0.000 19.441 ( 0.000 0.000 0.000) 0.000 19.441 ( 0.000 0.000 0.000) 0.000 19.876 ( 0.000 0.000 -0.000) 0.000 19.876 ( 0.000 0.000 -0.000) 0.000 ======================= Grid point 194 (62/63) ======================= q-point: ( 0.20 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 53 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.402 ( 1.695 0.001 -0.200) 1.707 1.402 ( 1.695 0.001 0.200) 1.707 1.628 ( -7.364 0.001 -7.035) 10.184 1.628 ( -7.364 0.001 7.035) 10.184 1.740 ( 3.854 0.001 -1.987) 4.336 1.740 ( 3.854 0.000 1.987) 4.337 1.916 ( 1.678 0.001 -1.242) 2.087 1.916 ( 1.678 0.001 1.242) 2.087 2.112 ( 6.566 0.000 -2.181) 6.919 2.112 ( 6.566 0.000 2.181) 6.919 2.264 ( -3.683 0.001 -5.490) 6.611 2.264 ( -3.683 0.001 5.490) 6.611 2.491 ( 0.684 0.001 -6.113) 6.151 2.491 ( 0.684 0.001 6.113) 6.152 2.654 ( -1.168 0.001 -4.584) 4.731 2.654 ( -1.168 0.001 4.585) 4.731 2.862 ( -2.567 0.001 -3.693) 4.497 2.862 ( -2.567 0.001 3.693) 4.497 3.053 ( -10.816 0.001 -0.451) 10.825 3.053 ( -10.816 0.003 0.452) 10.825 3.324 ( 0.202 0.001 -0.851) 0.875 3.324 ( 0.202 0.002 0.851) 0.875 3.505 ( -6.736 0.003 -1.120) 6.828 3.505 ( -6.736 0.002 1.120) 6.828 3.915 ( 2.284 0.001 -1.592) 2.784 3.915 ( 2.284 0.001 1.592) 2.785 4.009 ( 3.484 0.001 -1.622) 3.843 4.009 ( 3.484 0.001 1.622) 3.843 4.221 ( 8.476 0.001 -0.637) 8.500 4.221 ( 8.476 0.001 0.637) 8.500 4.360 ( 17.174 0.002 -0.553) 17.183 4.360 ( 17.174 0.002 0.553) 17.183 4.601 ( -2.322 0.001 -0.676) 2.419 4.601 ( -2.322 0.001 0.676) 2.418 4.733 ( -0.379 0.001 -0.170) 0.415 4.733 ( -0.379 0.000 0.170) 0.415 4.845 ( -7.585 0.001 -1.815) 7.799 4.845 ( -7.585 0.001 1.815) 7.799 5.306 ( -1.964 0.000 -0.076) 1.965 5.306 ( -1.963 0.000 0.076) 1.965 5.472 ( 14.640 0.001 -0.711) 14.658 5.472 ( 14.640 0.001 0.711) 14.657 5.704 ( 1.124 0.001 -1.048) 1.537 5.704 ( 1.124 0.001 1.047) 1.537 6.353 ( -6.752 0.001 -0.190) 6.755 6.353 ( -6.752 0.001 0.191) 6.755 6.820 ( -13.106 0.001 -1.039) 13.147 6.820 ( -13.106 0.001 1.039) 13.147 7.047 ( 7.210 0.001 -2.739) 7.712 7.047 ( 7.210 0.001 2.739) 7.712 7.285 ( 4.459 0.001 -0.063) 4.459 7.285 ( 4.459 0.001 0.063) 4.459 7.514 ( -0.168 0.001 -1.225) 1.236 7.514 ( -0.168 0.001 1.225) 1.236 7.740 ( -2.582 0.001 -0.308) 2.600 7.740 ( -2.582 0.001 0.308) 2.600 8.209 ( -1.775 0.001 -2.562) 3.116 8.209 ( -1.775 0.001 2.562) 3.116 8.314 ( -1.632 0.002 -6.330) 6.537 8.314 ( -1.632 0.001 6.329) 6.536 8.565 ( -2.267 0.002 -2.683) 3.513 8.565 ( -2.266 0.002 2.683) 3.512 9.083 ( -15.487 0.001 -0.706) 15.503 9.083 ( -15.487 0.001 0.706) 15.503 9.406 ( 1.918 0.002 -2.909) 3.484 9.406 ( 1.917 0.002 2.910) 3.485 9.640 ( 1.467 0.002 -2.160) 2.611 9.640 ( 1.467 0.001 2.161) 2.612 9.855 ( 9.085 0.001 -0.034) 9.085 9.855 ( 9.086 0.001 0.035) 9.086 10.143 ( 0.169 0.001 -0.897) 0.913 10.143 ( 0.169 0.001 0.897) 0.913 12.143 ( 1.637 0.000 -2.129) 2.686 12.143 ( 1.637 0.000 2.129) 2.686 12.357 ( -0.883 0.000 -2.017) 2.201 12.357 ( -0.883 0.000 2.017) 2.201 13.564 ( 3.806 0.001 -0.694) 3.869 13.564 ( 3.806 0.000 0.694) 3.869 13.856 ( -2.218 0.000 -0.675) 2.318 13.856 ( -2.218 0.000 0.675) 2.318 15.108 ( 0.097 0.000 -0.010) 0.098 15.108 ( 0.097 0.000 0.010) 0.098 15.235 ( -2.185 0.000 -0.037) 2.186 15.235 ( -2.185 0.000 0.037) 2.186 15.502 ( 3.733 0.000 -0.389) 3.753 15.502 ( 3.733 0.000 0.389) 3.753 15.857 ( -4.709 0.000 -0.274) 4.717 15.857 ( -4.709 0.000 0.274) 4.717 17.661 ( 3.699 0.000 -0.171) 3.703 17.661 ( 3.699 0.000 0.171) 3.703 17.699 ( 1.921 0.000 -0.329) 1.949 17.699 ( 1.921 0.000 0.329) 1.949 18.123 ( -0.324 0.000 -0.004) 0.324 18.123 ( -0.324 0.000 0.004) 0.324 18.136 ( -0.589 0.000 -0.885) 1.063 18.136 ( -0.589 0.000 0.885) 1.063 18.311 ( -0.132 0.000 -0.149) 0.200 18.311 ( -0.132 0.000 0.149) 0.200 18.411 ( -1.432 0.000 -0.777) 1.629 18.411 ( -1.432 0.000 0.777) 1.629 18.577 ( 2.614 0.000 -0.200) 2.621 18.577 ( 2.614 0.000 0.199) 2.621 18.898 ( -4.700 0.000 -0.026) 4.700 18.898 ( -4.700 0.000 0.026) 4.700 19.497 ( 5.474 0.000 -0.002) 5.474 19.497 ( 5.474 0.000 0.002) 5.474 19.845 ( -3.294 0.000 -0.001) 3.294 19.845 ( -3.294 0.000 0.001) 3.294 ======================= Grid point 198 (63/63) ======================= q-point: ( 0.40 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 53 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.438 ( 2.225 0.001 -3.518) 4.163 1.438 ( 2.225 0.001 3.518) 4.162 1.506 ( -4.992 0.001 -5.196) 7.206 1.506 ( -4.992 0.001 5.197) 7.206 1.833 ( 4.582 0.001 -1.971) 4.988 1.833 ( 4.582 0.001 1.971) 4.988 1.929 ( -0.259 0.001 -2.085) 2.101 1.929 ( -0.259 0.001 2.085) 2.101 2.203 ( -1.908 0.003 -11.001) 11.165 2.203 ( -1.908 0.002 11.001) 11.165 2.248 ( 6.212 -0.001 -0.714) 6.252 2.248 ( 6.212 -0.000 0.714) 6.252 2.444 ( -4.580 0.001 -4.176) 6.198 2.444 ( -4.580 0.000 4.176) 6.198 2.670 ( 3.127 0.001 -0.917) 3.259 2.670 ( 3.127 0.001 0.917) 3.259 2.782 ( -6.906 0.000 -2.795) 7.450 2.782 ( -6.905 -0.000 2.796) 7.450 2.862 ( -4.902 0.004 -4.376) 6.571 2.862 ( -4.903 0.003 4.374) 6.571 3.354 ( 2.410 0.002 -2.944) 3.805 3.354 ( 2.409 0.002 2.945) 3.805 3.433 ( -2.487 0.002 -0.650) 2.570 3.433 ( -2.487 0.003 0.649) 2.570 3.941 ( 0.980 0.001 -1.743) 1.999 3.941 ( 0.980 0.001 1.743) 1.999 4.055 ( 1.155 0.001 -1.784) 2.125 4.055 ( 1.155 0.001 1.784) 2.125 4.355 ( 4.535 0.001 -1.329) 4.725 4.355 ( 4.535 0.001 1.328) 4.726 4.499 ( -5.001 0.001 -1.357) 5.182 4.499 ( -5.002 0.001 1.357) 5.182 4.661 ( 8.503 0.001 -0.764) 8.537 4.661 ( 8.503 0.001 0.763) 8.537 4.750 ( -2.638 0.001 -1.017) 2.827 4.750 ( -2.639 0.001 1.018) 2.828 4.869 ( 15.736 0.001 -0.267) 15.738 4.869 ( 15.736 0.001 0.268) 15.738 5.180 ( -12.665 0.001 -0.138) 12.666 5.180 ( -12.665 0.001 0.138) 12.665 5.681 ( 6.177 0.001 -1.293) 6.311 5.681 ( 6.177 0.001 1.293) 6.311 5.725 ( 0.585 0.001 -2.087) 2.168 5.725 ( 0.585 0.001 2.088) 2.168 6.312 ( 3.593 0.002 -1.596) 3.931 6.312 ( 3.593 0.002 1.596) 3.931 6.558 ( -12.578 0.001 -1.009) 12.618 6.558 ( -12.578 0.001 1.009) 12.618 7.180 ( 5.617 0.001 -2.367) 6.096 7.180 ( 5.617 0.001 2.367) 6.096 7.316 ( -1.131 0.002 -1.004) 1.512 7.316 ( -1.131 0.001 1.004) 1.512 7.503 ( -0.610 0.001 -1.543) 1.659 7.503 ( -0.609 0.001 1.543) 1.659 7.719 ( 0.160 0.001 -1.131) 1.143 7.719 ( 0.159 0.001 1.131) 1.143 8.088 ( -5.468 0.001 -0.335) 5.478 8.088 ( -5.468 0.001 0.335) 5.478 8.337 ( 0.077 0.001 -1.692) 1.694 8.337 ( 0.077 0.001 1.692) 1.693 8.585 ( 5.020 0.002 -0.753) 5.076 8.585 ( 5.020 0.002 0.753) 5.076 8.824 ( -10.825 0.001 -0.004) 10.825 8.824 ( -10.825 0.001 0.004) 10.825 9.444 ( 1.598 0.002 -5.767) 5.984 9.444 ( 1.597 0.003 5.768) 5.985 9.621 ( -1.622 0.002 -2.751) 3.194 9.621 ( -1.623 0.002 2.752) 3.195 10.026 ( 7.427 0.000 -1.708) 7.621 10.026 ( 7.427 0.000 1.708) 7.621 10.124 ( -2.619 0.000 -0.539) 2.674 10.124 ( -2.619 0.000 0.539) 2.674 12.174 ( 1.231 0.000 -4.294) 4.467 12.174 ( 1.231 0.000 4.294) 4.467 12.338 ( -0.799 0.000 -4.089) 4.166 12.338 ( -0.799 0.000 4.089) 4.166 13.649 ( 4.188 0.000 -2.111) 4.690 13.649 ( 4.188 0.000 2.111) 4.690 13.800 ( -3.142 0.000 -2.178) 3.824 13.800 ( -3.142 0.000 2.179) 3.824 15.126 ( 1.868 0.000 -0.088) 1.870 15.126 ( 1.868 0.000 0.088) 1.870 15.179 ( -3.263 0.000 -0.026) 3.263 15.179 ( -3.263 0.000 0.026) 3.263 15.591 ( 4.887 0.000 -1.025) 4.993 15.591 ( 4.887 0.000 1.025) 4.993 15.753 ( -5.337 0.000 -0.907) 5.414 15.753 ( -5.337 0.000 0.907) 5.414 17.716 ( 1.614 0.000 -0.264) 1.635 17.716 ( 1.614 0.000 0.264) 1.635 17.742 ( 1.871 0.000 -0.495) 1.935 17.742 ( 1.871 0.000 0.495) 1.935 18.115 ( -0.254 0.000 -0.077) 0.266 18.115 ( -0.254 0.000 0.077) 0.266 18.127 ( -0.317 0.000 -1.449) 1.483 18.127 ( -0.317 0.000 1.449) 1.483 18.307 ( -0.203 0.000 -0.060) 0.211 18.307 ( -0.203 0.000 0.060) 0.211 18.388 ( -0.672 0.000 -1.502) 1.646 18.388 ( -0.672 0.000 1.502) 1.646 18.654 ( 5.460 0.000 -0.468) 5.480 18.654 ( 5.460 0.000 0.468) 5.480 18.783 ( -6.876 0.000 -0.135) 6.877 18.783 ( -6.876 0.000 0.135) 6.877 19.624 ( 7.388 0.000 -0.001) 7.388 19.624 ( 7.388 0.000 0.001) 7.388 19.755 ( -6.102 0.000 -0.008) 6.102 19.755 ( -6.102 0.000 0.008) 6.102 =================== 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 3/25920 10.0 73.516 99.285 118.100 0.000 0.000 0.000 3/25920 20.0 24.080 40.732 44.303 0.000 0.000 0.000 3/25920 30.0 13.900 24.389 25.038 0.000 0.000 0.000 3/25920 40.0 9.711 16.741 16.874 0.000 0.000 0.000 3/25920 50.0 7.471 12.429 12.490 0.000 0.000 0.000 3/25920 60.0 6.088 9.750 9.807 0.000 0.000 0.000 3/25920 70.0 5.150 7.966 8.025 0.000 0.000 0.000 3/25920 80.0 4.471 6.712 6.769 0.000 0.000 0.000 3/25920 90.0 3.957 5.791 5.843 0.000 0.000 0.000 3/25920 100.0 3.553 5.090 5.137 0.000 0.000 0.000 3/25920 110.0 3.227 4.540 4.582 0.000 0.000 0.000 3/25920 120.0 2.958 4.098 4.135 0.000 0.000 0.000 3/25920 130.0 2.731 3.735 3.768 0.000 0.000 0.000 3/25920 140.0 2.538 3.432 3.462 0.000 0.000 0.000 3/25920 150.0 2.372 3.176 3.202 0.000 0.000 0.000 3/25920 160.0 2.226 2.955 2.979 0.000 0.000 0.000 3/25920 170.0 2.098 2.764 2.786 0.000 0.000 0.000 3/25920 180.0 1.984 2.597 2.616 0.000 0.000 0.000 3/25920 190.0 1.883 2.449 2.467 0.000 0.000 0.000 3/25920 200.0 1.791 2.318 2.334 0.000 0.000 0.000 3/25920 210.0 1.708 2.200 2.215 0.000 0.000 0.000 3/25920 220.0 1.633 2.094 2.108 0.000 0.000 0.000 3/25920 230.0 1.564 1.998 2.010 0.000 0.000 0.000 3/25920 240.0 1.501 1.910 1.922 0.000 0.000 0.000 3/25920 250.0 1.443 1.830 1.841 0.000 0.000 0.000 3/25920 260.0 1.390 1.757 1.767 0.000 0.000 0.000 3/25920 270.0 1.340 1.689 1.699 0.000 0.000 0.000 3/25920 280.0 1.294 1.627 1.636 0.000 0.000 0.000 3/25920 290.0 1.251 1.569 1.577 0.000 0.000 0.000 3/25920 300.0 1.210 1.515 1.523 0.000 0.000 0.000 3/25920 310.0 1.172 1.464 1.472 0.000 0.000 0.000 3/25920 320.0 1.137 1.417 1.425 0.000 0.000 0.000 3/25920 330.0 1.104 1.373 1.380 0.000 0.000 0.000 3/25920 340.0 1.072 1.332 1.338 0.000 0.000 0.000 3/25920 350.0 1.043 1.293 1.299 0.000 0.000 0.000 3/25920 360.0 1.015 1.257 1.262 0.000 0.000 0.000 3/25920 370.0 0.988 1.222 1.227 0.000 0.000 0.000 3/25920 380.0 0.963 1.189 1.194 0.000 0.000 0.000 3/25920 390.0 0.939 1.158 1.163 0.000 0.000 0.000 3/25920 400.0 0.916 1.129 1.134 0.000 0.000 0.000 3/25920 410.0 0.894 1.101 1.106 0.000 0.000 0.000 3/25920 420.0 0.874 1.074 1.079 0.000 0.000 0.000 3/25920 430.0 0.854 1.049 1.053 0.000 0.000 0.000 3/25920 440.0 0.835 1.025 1.029 0.000 0.000 0.000 3/25920 450.0 0.817 1.002 1.006 0.000 0.000 0.000 3/25920 460.0 0.800 0.980 0.984 0.000 0.000 0.000 3/25920 470.0 0.783 0.959 0.962 0.000 0.000 0.000 3/25920 480.0 0.767 0.939 0.942 0.000 0.000 0.000 3/25920 490.0 0.752 0.919 0.923 0.000 0.000 0.000 3/25920 500.0 0.737 0.901 0.904 0.000 0.000 0.000 3/25920 510.0 0.723 0.883 0.886 0.000 0.000 0.000 3/25920 520.0 0.709 0.866 0.869 0.000 0.000 0.000 3/25920 530.0 0.696 0.850 0.852 0.000 0.000 0.000 3/25920 540.0 0.684 0.834 0.836 0.000 0.000 0.000 3/25920 550.0 0.671 0.818 0.821 0.000 0.000 0.000 3/25920 560.0 0.660 0.804 0.806 0.000 0.000 0.000 3/25920 570.0 0.648 0.790 0.792 0.000 0.000 0.000 3/25920 580.0 0.637 0.776 0.778 0.000 0.000 0.000 3/25920 590.0 0.627 0.763 0.765 0.000 0.000 0.000 3/25920 600.0 0.617 0.750 0.752 0.000 0.000 0.000 3/25920 610.0 0.607 0.738 0.740 0.000 0.000 0.000 3/25920 620.0 0.597 0.726 0.728 0.000 0.000 0.000 3/25920 630.0 0.588 0.714 0.716 0.000 0.000 0.000 3/25920 640.0 0.579 0.703 0.705 0.000 0.000 0.000 3/25920 650.0 0.570 0.692 0.694 0.000 0.000 0.000 3/25920 660.0 0.561 0.681 0.683 0.000 0.000 0.000 3/25920 670.0 0.553 0.671 0.673 0.000 0.000 0.000 3/25920 680.0 0.545 0.661 0.663 0.000 0.000 0.000 3/25920 690.0 0.537 0.652 0.654 0.000 0.000 0.000 3/25920 700.0 0.530 0.642 0.644 0.000 0.000 0.000 3/25920 710.0 0.522 0.633 0.635 0.000 0.000 0.000 3/25920 720.0 0.515 0.624 0.626 0.000 0.000 0.000 3/25920 730.0 0.508 0.616 0.618 0.000 0.000 0.000 3/25920 740.0 0.502 0.608 0.609 0.000 0.000 0.000 3/25920 750.0 0.495 0.599 0.601 0.000 0.000 0.000 3/25920 760.0 0.489 0.592 0.593 0.000 0.000 0.000 3/25920 770.0 0.482 0.584 0.585 0.000 0.000 0.000 3/25920 780.0 0.476 0.576 0.578 0.000 0.000 0.000 3/25920 790.0 0.470 0.569 0.570 0.000 0.000 0.000 3/25920 800.0 0.464 0.562 0.563 0.000 0.000 0.000 3/25920 810.0 0.459 0.555 0.556 0.000 0.000 0.000 3/25920 820.0 0.453 0.548 0.550 0.000 0.000 0.000 3/25920 830.0 0.448 0.542 0.543 0.000 0.000 0.000 3/25920 840.0 0.443 0.535 0.536 0.000 0.000 0.000 3/25920 850.0 0.437 0.529 0.530 0.000 0.000 0.000 3/25920 860.0 0.432 0.523 0.524 0.000 0.000 0.000 3/25920 870.0 0.427 0.517 0.518 0.000 0.000 0.000 3/25920 880.0 0.423 0.511 0.512 0.000 0.000 0.000 3/25920 890.0 0.418 0.505 0.506 0.000 0.000 0.000 3/25920 900.0 0.413 0.499 0.501 0.000 0.000 0.000 3/25920 910.0 0.409 0.494 0.495 0.000 0.000 0.000 3/25920 920.0 0.404 0.488 0.490 0.000 0.000 0.000 3/25920 930.0 0.400 0.483 0.484 0.000 0.000 0.000 3/25920 940.0 0.396 0.478 0.479 0.000 0.000 0.000 3/25920 950.0 0.392 0.473 0.474 0.000 0.000 0.000 3/25920 960.0 0.388 0.468 0.469 0.000 0.000 0.000 3/25920 970.0 0.384 0.463 0.464 0.000 0.000 0.000 3/25920 980.0 0.380 0.459 0.460 0.000 0.000 0.000 3/25920 990.0 0.376 0.454 0.455 0.000 0.000 0.000 3/25920 1000.0 0.372 0.449 0.450 0.000 0.000 0.000 3/25920 Thermal conductivity related properties were written into "kappa-m5124.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-09 02:59:49]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|