----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 09:03:48]------------------------- Compiled with OpenMP support (max 48 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 2 1] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/c (15) Number of symmetry operations in supercell: 16 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.149651995170772 -2.550994870000000 0.000000000000000 b 6.149651995170772 2.550994870000000 0.000000000000000 c -4.467601788967628 0.000000000000000 15.347808935828372 Atomic positions (fractional): *1 O 0.86438685577450 0.13561314422550 0.25000000000000 15.999 2 O 0.13561314422550 0.86438685577450 0.75000000000000 15.999 *3 O 0.90977527439345 0.78518474513304 0.32959067939057 15.999 4 O 0.21481525486696 0.09022472560655 0.17040932060943 15.999 5 O 0.09022472560655 0.21481525486696 0.67040932060943 15.999 6 O 0.78518474513304 0.90977527439345 0.82959067939057 15.999 *7 O 0.55639522092117 0.39631932743833 0.40276591954004 15.999 8 O 0.60368067256167 0.44360477907883 0.09723408045996 15.999 9 O 0.44360477907883 0.60368067256166 0.59723408045996 15.999 10 O 0.39631932743834 0.55639522092117 0.90276591954004 15.999 *11 O 0.17732552538633 0.95856385004140 0.45423409239528 15.999 12 O 0.04143614995860 0.82267447461367 0.04576590760472 15.999 *13 O 0.18818061383764 0.31551454187464 0.87006947915060 15.999 14 O 0.68448545812536 0.81181938616236 0.62993052084940 15.999 15 O 0.81181938616236 0.68448545812536 0.12993052084940 15.999 16 O 0.31551454187464 0.18818061383764 0.37006947915060 15.999 *17 O 0.66358376577761 0.75298031834735 0.94642742561056 15.999 18 O 0.24701968165265 0.33641623422240 0.55357257438944 15.999 19 O 0.33641623422239 0.24701968165265 0.05357257438944 15.999 20 O 0.75298031834735 0.66358376577761 0.44642742561056 15.999 21 O 0.95856385004140 0.17732552538633 0.95423409239528 15.999 22 O 0.82267447461367 0.04143614995860 0.54576590760472 15.999 *23 Te 0.84769393159021 0.40243228829896 0.20188617919897 127.600 24 Te 0.59756771170104 0.15230606840979 0.29811382080103 127.600 25 Te 0.15230606840979 0.59756771170104 0.79811382080103 127.600 26 Te 0.40243228829896 0.84769393159021 0.70188617919897 127.600 *27 Te 0.40855934064418 0.84017762860381 0.37117942641215 127.600 28 Te 0.15982237139619 0.59144065935582 0.12882057358785 127.600 29 Te 0.59144065935582 0.15982237139619 0.62882057358785 127.600 30 Te 0.84017762860381 0.40855934064418 0.87117942641215 127.600 *31 Tb 0.37171091693781 0.86590939546666 0.03682253642905 158.925 32 Tb 0.13409060453334 0.62828908306219 0.46317746357095 158.925 33 Tb 0.62828908306219 0.13409060453334 0.96317746357095 158.925 34 Tb 0.86590939546666 0.37171091693781 0.53682253642905 158.925 -------------------------------- unit cell --------------------------------- Lattice vectors: a 12.299303990341544 0.000000000000000 0.000000000000000 b 0.000000000000000 5.101989740000000 0.000000000000000 c -4.467601788967628 0.000000000000000 15.347808935828372 Atomic positions (fractional): *1 O 0.00000000000000 0.13561314422550 0.25000000000000 15.999 > 1 2 O 0.00000000000000 0.86438685577450 0.75000000000000 15.999 > 2 *3 O 0.84748000976325 0.93770473536980 0.32959067939057 15.999 > 3 4 O 0.65251999023675 0.43770473536980 0.17040932060943 15.999 > 4 5 O 0.15251999023675 0.06229526463020 0.67040932060943 15.999 > 5 6 O 0.34748000976325 0.56229526463020 0.82959067939057 15.999 > 6 *7 O 0.97635727417975 0.41996205325858 0.40276591954004 15.999 > 7 8 O 0.02364272582025 0.41996205325858 0.09723408045996 15.999 > 8 9 O 0.02364272582025 0.58003794674142 0.59723408045996 15.999 > 9 10 O 0.97635727417975 0.58003794674142 0.90276591954004 15.999 > 10 *11 O 0.06794468771387 0.89061916232753 0.45423409239528 15.999 > 11 12 O 0.93205531228613 0.89061916232753 0.04576590760472 15.999 > 12 *13 O 0.25184757785614 0.06366696401850 0.87006947915060 15.999 > 13 14 O 0.24815242214386 0.56366696401850 0.62993052084940 15.999 > 14 15 O 0.74815242214386 0.93633303598150 0.12993052084940 15.999 > 15 16 O 0.75184757785614 0.43633303598150 0.37006947915060 15.999 > 16 *17 O 0.20828204206248 0.54469827628487 0.94642742561056 15.999 > 17 18 O 0.79171795793752 0.54469827628487 0.55357257438944 15.999 > 18 19 O 0.79171795793752 0.45530172371513 0.05357257438944 15.999 > 19 20 O 0.20828204206248 0.45530172371513 0.44642742561056 15.999 > 20 21 O 0.06794468771387 0.10938083767247 0.95423409239528 15.999 > 21 22 O 0.93205531228613 0.10938083767247 0.54576590760472 15.999 > 22 23 O 0.50000000000000 0.63561314422550 0.25000000000000 15.999 > 1 24 O 0.50000000000000 0.36438685577450 0.75000000000000 15.999 > 2 25 O 0.34748000976325 0.43770473536980 0.32959067939057 15.999 > 3 26 O 0.15251999023675 0.93770473536980 0.17040932060943 15.999 > 4 27 O 0.65251999023675 0.56229526463020 0.67040932060943 15.999 > 5 28 O 0.84748000976325 0.06229526463020 0.82959067939057 15.999 > 6 29 O 0.47635727417975 0.91996205325858 0.40276591954004 15.999 > 7 30 O 0.52364272582025 0.91996205325858 0.09723408045996 15.999 > 8 31 O 0.52364272582025 0.08003794674142 0.59723408045996 15.999 > 9 32 O 0.47635727417975 0.08003794674142 0.90276591954004 15.999 > 10 33 O 0.56794468771387 0.39061916232753 0.45423409239528 15.999 > 11 34 O 0.43205531228613 0.39061916232753 0.04576590760472 15.999 > 12 35 O 0.75184757785614 0.56366696401850 0.87006947915060 15.999 > 13 36 O 0.74815242214386 0.06366696401850 0.62993052084940 15.999 > 14 37 O 0.24815242214386 0.43633303598150 0.12993052084940 15.999 > 15 38 O 0.25184757785614 0.93633303598150 0.37006947915060 15.999 > 16 39 O 0.70828204206248 0.04469827628487 0.94642742561056 15.999 > 17 40 O 0.29171795793752 0.04469827628487 0.55357257438944 15.999 > 18 41 O 0.29171795793752 0.95530172371513 0.05357257438944 15.999 > 19 42 O 0.70828204206248 0.95530172371513 0.44642742561056 15.999 > 20 43 O 0.56794468771387 0.60938083767247 0.95423409239528 15.999 > 21 44 O 0.43205531228613 0.60938083767247 0.54576590760472 15.999 > 22 *45 Te 0.62506310994458 0.77736917835437 0.20188617919897 127.600 > 23 46 Te 0.87493689005542 0.27736917835437 0.29811382080103 127.600 > 24 47 Te 0.37493689005542 0.22263082164563 0.79811382080103 127.600 > 25 48 Te 0.12506310994458 0.72263082164563 0.70188617919897 127.600 > 26 *49 Te 0.12436848462399 0.71580914397981 0.37117942641215 127.600 > 27 50 Te 0.87563151537601 0.71580914397981 0.12882057358785 127.600 > 28 51 Te 0.87563151537601 0.28419085602019 0.62882057358785 127.600 > 29 52 Te 0.12436848462399 0.28419085602019 0.87117942641215 127.600 > 30 53 Te 0.12506310994458 0.27736917835437 0.20188617919897 127.600 > 23 54 Te 0.37493689005542 0.77736917835437 0.29811382080103 127.600 > 24 55 Te 0.87493689005542 0.72263082164563 0.79811382080103 127.600 > 25 56 Te 0.62506310994458 0.22263082164563 0.70188617919897 127.600 > 26 57 Te 0.62436848462399 0.21580914397981 0.37117942641215 127.600 > 27 58 Te 0.37563151537600 0.21580914397981 0.12882057358785 127.600 > 28 59 Te 0.37563151537600 0.78419085602019 0.62882057358785 127.600 > 29 60 Te 0.62436848462399 0.78419085602019 0.87117942641215 127.600 > 30 *61 Tb 0.61881015620223 0.24709923926443 0.03682253642905 158.925 > 31 62 Tb 0.88118984379777 0.74709923926443 0.46317746357095 158.925 > 32 63 Tb 0.38118984379777 0.75290076073557 0.96317746357095 158.925 > 33 64 Tb 0.11881015620223 0.25290076073557 0.53682253642905 158.925 > 34 65 Tb 0.11881015620223 0.74709923926443 0.03682253642905 158.925 > 31 66 Tb 0.38118984379777 0.24709923926443 0.46317746357095 158.925 > 32 67 Tb 0.88118984379777 0.25290076073557 0.96317746357095 158.925 > 33 68 Tb 0.61881015620223 0.75290076073557 0.53682253642905 158.925 > 34 -------------------------------- super cell -------------------------------- Lattice vectors: a 12.299303990341544 0.000000000000000 0.000000000000000 b 0.000000000000000 10.203979479999999 0.000000000000000 c -4.467601788967628 0.000000000000000 15.347808935828372 Atomic positions (fractional): *1 O 0.00000000000000 0.06780657211275 0.25000000000000 15.999 > 1 2 O 0.00000000000000 0.56780657211275 0.25000000000000 15.999 > 1 3 O 0.00000000000000 0.43219342788725 0.75000000000000 15.999 > 2 4 O 0.00000000000000 0.93219342788725 0.75000000000000 15.999 > 2 *5 O 0.84748000976325 0.46885236768490 0.32959067939057 15.999 > 3 6 O 0.84748000976325 0.96885236768490 0.32959067939057 15.999 > 3 7 O 0.65251999023675 0.21885236768490 0.17040932060943 15.999 > 4 8 O 0.65251999023675 0.71885236768490 0.17040932060943 15.999 > 4 9 O 0.15251999023675 0.03114763231510 0.67040932060943 15.999 > 5 10 O 0.15251999023675 0.53114763231510 0.67040932060943 15.999 > 5 11 O 0.34748000976325 0.28114763231510 0.82959067939057 15.999 > 6 12 O 0.34748000976325 0.78114763231510 0.82959067939057 15.999 > 6 *13 O 0.97635727417975 0.20998102662929 0.40276591954004 15.999 > 7 14 O 0.97635727417975 0.70998102662929 0.40276591954004 15.999 > 7 15 O 0.02364272582025 0.20998102662929 0.09723408045996 15.999 > 8 16 O 0.02364272582025 0.70998102662929 0.09723408045996 15.999 > 8 17 O 0.02364272582025 0.29001897337071 0.59723408045996 15.999 > 9 18 O 0.02364272582025 0.79001897337071 0.59723408045996 15.999 > 9 19 O 0.97635727417975 0.29001897337071 0.90276591954004 15.999 > 10 20 O 0.97635727417975 0.79001897337071 0.90276591954004 15.999 > 10 *21 O 0.06794468771387 0.44530958116377 0.45423409239528 15.999 > 11 22 O 0.06794468771387 0.94530958116377 0.45423409239528 15.999 > 11 23 O 0.93205531228613 0.44530958116377 0.04576590760472 15.999 > 12 24 O 0.93205531228613 0.94530958116377 0.04576590760472 15.999 > 12 *25 O 0.25184757785614 0.03183348200925 0.87006947915060 15.999 > 13 26 O 0.25184757785614 0.53183348200925 0.87006947915060 15.999 > 13 27 O 0.24815242214386 0.28183348200925 0.62993052084940 15.999 > 14 28 O 0.24815242214386 0.78183348200925 0.62993052084940 15.999 > 14 29 O 0.74815242214386 0.46816651799075 0.12993052084940 15.999 > 15 30 O 0.74815242214386 0.96816651799075 0.12993052084940 15.999 > 15 31 O 0.75184757785614 0.21816651799075 0.37006947915060 15.999 > 16 32 O 0.75184757785614 0.71816651799075 0.37006947915060 15.999 > 16 *33 O 0.20828204206248 0.27234913814244 0.94642742561056 15.999 > 17 34 O 0.20828204206248 0.77234913814244 0.94642742561056 15.999 > 17 35 O 0.79171795793752 0.27234913814244 0.55357257438944 15.999 > 18 36 O 0.79171795793752 0.77234913814244 0.55357257438944 15.999 > 18 37 O 0.79171795793752 0.22765086185756 0.05357257438944 15.999 > 19 38 O 0.79171795793752 0.72765086185756 0.05357257438944 15.999 > 19 39 O 0.20828204206248 0.22765086185756 0.44642742561056 15.999 > 20 40 O 0.20828204206248 0.72765086185756 0.44642742561056 15.999 > 20 41 O 0.06794468771387 0.05469041883623 0.95423409239528 15.999 > 21 42 O 0.06794468771387 0.55469041883623 0.95423409239528 15.999 > 21 43 O 0.93205531228613 0.05469041883623 0.54576590760472 15.999 > 22 44 O 0.93205531228613 0.55469041883623 0.54576590760472 15.999 > 22 45 O 0.50000000000000 0.31780657211275 0.25000000000000 15.999 > 1 46 O 0.50000000000000 0.81780657211275 0.25000000000000 15.999 > 1 47 O 0.50000000000000 0.18219342788725 0.75000000000000 15.999 > 2 48 O 0.50000000000000 0.68219342788725 0.75000000000000 15.999 > 2 49 O 0.34748000976325 0.21885236768490 0.32959067939057 15.999 > 3 50 O 0.34748000976325 0.71885236768490 0.32959067939057 15.999 > 3 51 O 0.15251999023675 0.46885236768490 0.17040932060943 15.999 > 4 52 O 0.15251999023675 0.96885236768490 0.17040932060943 15.999 > 4 53 O 0.65251999023675 0.28114763231510 0.67040932060943 15.999 > 5 54 O 0.65251999023675 0.78114763231510 0.67040932060943 15.999 > 5 55 O 0.84748000976325 0.03114763231510 0.82959067939057 15.999 > 6 56 O 0.84748000976325 0.53114763231510 0.82959067939057 15.999 > 6 57 O 0.47635727417975 0.45998102662929 0.40276591954004 15.999 > 7 58 O 0.47635727417975 0.95998102662929 0.40276591954004 15.999 > 7 59 O 0.52364272582025 0.45998102662929 0.09723408045996 15.999 > 8 60 O 0.52364272582025 0.95998102662929 0.09723408045996 15.999 > 8 61 O 0.52364272582025 0.04001897337071 0.59723408045996 15.999 > 9 62 O 0.52364272582025 0.54001897337071 0.59723408045996 15.999 > 9 63 O 0.47635727417975 0.04001897337071 0.90276591954004 15.999 > 10 64 O 0.47635727417975 0.54001897337071 0.90276591954004 15.999 > 10 65 O 0.56794468771387 0.19530958116377 0.45423409239528 15.999 > 11 66 O 0.56794468771387 0.69530958116377 0.45423409239528 15.999 > 11 67 O 0.43205531228613 0.19530958116377 0.04576590760472 15.999 > 12 68 O 0.43205531228613 0.69530958116377 0.04576590760472 15.999 > 12 69 O 0.75184757785614 0.28183348200925 0.87006947915060 15.999 > 13 70 O 0.75184757785614 0.78183348200925 0.87006947915060 15.999 > 13 71 O 0.74815242214386 0.03183348200925 0.62993052084940 15.999 > 14 72 O 0.74815242214386 0.53183348200925 0.62993052084940 15.999 > 14 73 O 0.24815242214386 0.21816651799075 0.12993052084940 15.999 > 15 74 O 0.24815242214386 0.71816651799075 0.12993052084940 15.999 > 15 75 O 0.25184757785614 0.46816651799075 0.37006947915060 15.999 > 16 76 O 0.25184757785614 0.96816651799075 0.37006947915060 15.999 > 16 77 O 0.70828204206248 0.02234913814244 0.94642742561056 15.999 > 17 78 O 0.70828204206248 0.52234913814244 0.94642742561056 15.999 > 17 79 O 0.29171795793752 0.02234913814244 0.55357257438944 15.999 > 18 80 O 0.29171795793752 0.52234913814244 0.55357257438944 15.999 > 18 81 O 0.29171795793752 0.47765086185756 0.05357257438944 15.999 > 19 82 O 0.29171795793752 0.97765086185756 0.05357257438944 15.999 > 19 83 O 0.70828204206248 0.47765086185756 0.44642742561056 15.999 > 20 84 O 0.70828204206248 0.97765086185756 0.44642742561056 15.999 > 20 85 O 0.56794468771387 0.30469041883623 0.95423409239528 15.999 > 21 86 O 0.56794468771387 0.80469041883623 0.95423409239528 15.999 > 21 87 O 0.43205531228613 0.30469041883623 0.54576590760472 15.999 > 22 88 O 0.43205531228613 0.80469041883623 0.54576590760472 15.999 > 22 *89 Te 0.62506310994458 0.38868458917719 0.20188617919897 127.600 > 23 90 Te 0.62506310994458 0.88868458917719 0.20188617919897 127.600 > 23 91 Te 0.87493689005542 0.13868458917719 0.29811382080103 127.600 > 24 92 Te 0.87493689005542 0.63868458917719 0.29811382080103 127.600 > 24 93 Te 0.37493689005542 0.11131541082281 0.79811382080103 127.600 > 25 94 Te 0.37493689005542 0.61131541082281 0.79811382080103 127.600 > 25 95 Te 0.12506310994458 0.36131541082281 0.70188617919897 127.600 > 26 96 Te 0.12506310994458 0.86131541082281 0.70188617919897 127.600 > 26 *97 Te 0.12436848462399 0.35790457198991 0.37117942641215 127.600 > 27 98 Te 0.12436848462399 0.85790457198991 0.37117942641215 127.600 > 27 99 Te 0.87563151537601 0.35790457198991 0.12882057358785 127.600 > 28 100 Te 0.87563151537601 0.85790457198991 0.12882057358785 127.600 > 28 101 Te 0.87563151537601 0.14209542801009 0.62882057358785 127.600 > 29 102 Te 0.87563151537601 0.64209542801009 0.62882057358785 127.600 > 29 103 Te 0.12436848462399 0.14209542801009 0.87117942641215 127.600 > 30 104 Te 0.12436848462399 0.64209542801009 0.87117942641215 127.600 > 30 105 Te 0.12506310994458 0.13868458917719 0.20188617919897 127.600 > 23 106 Te 0.12506310994458 0.63868458917719 0.20188617919897 127.600 > 23 107 Te 0.37493689005542 0.38868458917719 0.29811382080103 127.600 > 24 108 Te 0.37493689005542 0.88868458917719 0.29811382080103 127.600 > 24 109 Te 0.87493689005542 0.36131541082281 0.79811382080103 127.600 > 25 110 Te 0.87493689005542 0.86131541082281 0.79811382080103 127.600 > 25 111 Te 0.62506310994458 0.11131541082281 0.70188617919897 127.600 > 26 112 Te 0.62506310994458 0.61131541082281 0.70188617919897 127.600 > 26 113 Te 0.62436848462399 0.10790457198991 0.37117942641215 127.600 > 27 114 Te 0.62436848462399 0.60790457198991 0.37117942641215 127.600 > 27 115 Te 0.37563151537600 0.10790457198991 0.12882057358785 127.600 > 28 116 Te 0.37563151537600 0.60790457198991 0.12882057358785 127.600 > 28 117 Te 0.37563151537600 0.39209542801009 0.62882057358785 127.600 > 29 118 Te 0.37563151537600 0.89209542801009 0.62882057358785 127.600 > 29 119 Te 0.62436848462399 0.39209542801009 0.87117942641215 127.600 > 30 120 Te 0.62436848462399 0.89209542801009 0.87117942641215 127.600 > 30 *121 Tb 0.61881015620223 0.12354961963221 0.03682253642905 158.925 > 31 122 Tb 0.61881015620223 0.62354961963221 0.03682253642905 158.925 > 31 123 Tb 0.88118984379777 0.37354961963221 0.46317746357095 158.925 > 32 124 Tb 0.88118984379777 0.87354961963221 0.46317746357095 158.925 > 32 125 Tb 0.38118984379777 0.37645038036779 0.96317746357095 158.925 > 33 126 Tb 0.38118984379777 0.87645038036779 0.96317746357095 158.925 > 33 127 Tb 0.11881015620223 0.12645038036779 0.53682253642905 158.925 > 34 128 Tb 0.11881015620223 0.62645038036779 0.53682253642905 158.925 > 34 129 Tb 0.11881015620223 0.37354961963221 0.03682253642905 158.925 > 31 130 Tb 0.11881015620223 0.87354961963221 0.03682253642905 158.925 > 31 131 Tb 0.38118984379777 0.12354961963221 0.46317746357095 158.925 > 32 132 Tb 0.38118984379777 0.62354961963221 0.46317746357095 158.925 > 32 133 Tb 0.88118984379777 0.12645038036779 0.96317746357095 158.925 > 33 134 Tb 0.88118984379777 0.62645038036779 0.96317746357095 158.925 > 33 135 Tb 0.61881015620223 0.37645038036779 0.53682253642905 158.925 > 34 136 Tb 0.61881015620223 0.87645038036779 0.53682253642905 158.925 > 34 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 5.5171957 0.0000000 -0.5386356 0.0000000 4.9546789 0.0000000 -0.5386355 0.0000000 4.6965032 -------------------------- Born effective charges -------------------------- 1 O -4.5315627 0.0000000 0.9580874 0.0000000 -1.7792235 0.0000000 1.6306764 0.0000000 -1.6864598 2 O -4.5315627 0.0000000 0.9580874 0.0000000 -1.7792235 0.0000000 1.6306764 0.0000000 -1.6864598 3 O -1.7224601 -0.7364138 0.3729441 -0.3283138 -2.7100439 0.8567137 0.0910098 0.4676049 -1.9584497 4 O -1.7224601 0.7364138 0.3729441 0.3283138 -2.7100439 -0.8567137 0.0910098 -0.4676049 -1.9584497 5 O -1.7224601 -0.7364138 0.3729441 -0.3283138 -2.7100439 0.8567137 0.0910098 0.4676049 -1.9584497 6 O -1.7224601 0.7364138 0.3729441 0.3283138 -2.7100439 -0.8567137 0.0910098 -0.4676049 -1.9584497 7 O -2.4003335 -0.4575447 -0.3697951 -0.4615016 -2.0023422 -0.6783957 -0.3706188 -0.4828580 -2.6212401 8 O -2.4003335 0.4575447 -0.3697951 0.4615016 -2.0023422 0.6783957 -0.3706188 0.4828580 -2.6212401 9 O -2.4003335 -0.4575447 -0.3697951 -0.4615016 -2.0023422 -0.6783957 -0.3706188 -0.4828580 -2.6212401 10 O -2.4003335 0.4575447 -0.3697951 0.4615016 -2.0023422 0.6783957 -0.3706188 0.4828580 -2.6212401 11 O -2.3392942 0.2810746 0.9206391 0.3925050 -2.1848354 -1.0686816 0.5111577 -0.9255823 -2.2246673 12 O -2.3392942 -0.2810746 0.9206391 -0.3925050 -2.1848354 1.0686816 0.5111577 0.9255823 -2.2246673 13 O -3.8574461 0.7462720 0.3973296 0.9768916 -1.9945504 0.2928741 0.7516127 0.0031710 -1.6662193 14 O -3.8574461 -0.7462720 0.3973296 -0.9768916 -1.9945504 -0.2928741 0.7516127 -0.0031710 -1.6662193 15 O -3.8574461 0.7462720 0.3973296 0.9768916 -1.9945504 0.2928741 0.7516127 0.0031710 -1.6662193 16 O -3.8574461 -0.7462720 0.3973296 -0.9768916 -1.9945504 -0.2928741 0.7516127 -0.0031710 -1.6662193 17 O -2.1262188 -0.3539172 -0.0506945 -0.3336722 -2.3390653 -1.2548567 -0.1121870 -0.8871174 -2.0650274 18 O -2.1262188 0.3539172 -0.0506945 0.3336722 -2.3390653 1.2548567 -0.1121870 0.8871174 -2.0650274 19 O -2.1262188 -0.3539172 -0.0506945 -0.3336722 -2.3390653 -1.2548567 -0.1121870 -0.8871174 -2.0650274 20 O -2.1262188 0.3539172 -0.0506945 0.3336722 -2.3390653 1.2548567 -0.1121870 0.8871174 -2.0650274 21 O -2.3392942 -0.2810746 0.9206391 -0.3925050 -2.1848354 1.0686816 0.5111577 0.9255823 -2.2246673 22 O -2.3392942 0.2810746 0.9206391 0.3925050 -2.1848354 -1.0686816 0.5111577 -0.9255823 -2.2246673 23 Te 5.8005304 0.7872383 -0.9661867 0.1602981 3.5393282 -0.6871291 -1.0244823 -0.9509436 3.6820297 24 Te 5.8005304 -0.7872383 -0.9661867 -0.1602981 3.5393282 0.6871291 -1.0244823 0.9509436 3.6820297 25 Te 5.8005304 0.7872383 -0.9661867 0.1602981 3.5393282 -0.6871291 -1.0244823 -0.9509436 3.6820297 26 Te 5.8005304 -0.7872383 -0.9661867 -0.1602981 3.5393282 0.6871291 -1.0244823 0.9509436 3.6820297 27 Te 4.8858028 0.9851506 -0.3497489 0.4908347 4.0996099 -0.6395792 -0.3953171 -0.6436213 3.0308174 28 Te 4.8858028 -0.9851506 -0.3497489 -0.4908347 4.0996099 0.6395792 -0.3953171 0.6436213 3.0308174 29 Te 4.8858028 0.9851506 -0.3497489 0.4908347 4.0996099 -0.6395792 -0.3953171 -0.6436213 3.0308174 30 Te 4.8858028 -0.9851506 -0.3497489 -0.4908347 4.0996099 0.6395792 -0.3953171 0.6436213 3.0308174 31 Tb 4.0252007 0.1258459 -0.4335311 0.0001228 4.4815109 0.2223523 -0.2665130 -0.0990193 4.6659866 32 Tb 4.0252007 -0.1258459 -0.4335311 -0.0001228 4.4815109 -0.2223523 -0.2665130 0.0990193 4.6659866 33 Tb 4.0252007 0.1258459 -0.4335311 0.0001228 4.4815109 0.2223523 -0.2665130 -0.0990193 4.6659866 34 Tb 4.0252007 -0.1258459 -0.4335311 -0.0001228 4.4815109 -0.2223523 -0.2665130 0.0990193 4.6659866 ---------------------------------------------------------------------------- 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: 408/408 Permutation basis: 25986/25986 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 5357 Number of blocks in projector: 5357 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: 1160 Use submatrix version of eigh solver. (1) Block: 500 / 1160 (2) Block: 250 / 500 (2) 233 eigenvectors found. (2) Block: 500 / 500 (2) 235 eigenvectors found. (2) Complementary block size: 32 (2) Compute compressed projector. (2) Use standard solver. (2) 15 eigenvectors found. (1) 483 eigenvectors found. (1) Block: 1000 / 1160 (2) Block: 250 / 500 (2) 237 eigenvectors found. (2) Block: 500 / 500 (2) 239 eigenvectors found. (2) Complementary block size: 24 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 487 eigenvectors found. (1) Block: 1160 / 1160 (1) 153 eigenvectors found. (1) Complementary block size: 37 (1) Compute compressed projector. (1) Use standard solver. (1) 20 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 1152 Use submatrix version of eigh solver. (1) Block: 500 / 1152 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 234 eigenvectors found. (2) Complementary block size: 32 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 1000 / 1152 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 236 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 13 eigenvectors found. (1) 485 eigenvectors found. (1) Block: 1152 / 1152 (1) 138 eigenvectors found. (1) Complementary block size: 45 (1) Compute compressed projector. (1) Use standard solver. (1) 29 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 1152 Use submatrix version of eigh solver. (1) Block: 500 / 1152 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 234 eigenvectors found. (2) Complementary block size: 32 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 1000 / 1152 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 236 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 13 eigenvectors found. (1) 485 eigenvectors found. (1) Block: 1152 / 1152 (1) 138 eigenvectors found. (1) Complementary block size: 45 (1) Compute compressed projector. (1) Use standard solver. (1) 29 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 631 Use submatrix version of eigh solver. (1) Block: 500 / 631 (2) Block: 250 / 500 (2) 241 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 17 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 491 eigenvectors found. (1) Block: 631 / 631 (1) 123 eigenvectors found. (1) Complementary block size: 17 (1) Compute compressed projector. (1) Use standard solver. (1) 8 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 631 Use submatrix version of eigh solver. (1) Block: 500 / 631 (2) Block: 250 / 500 (2) 241 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 17 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 491 eigenvectors found. (1) Block: 631 / 631 (1) 126 eigenvectors found. (1) Complementary block size: 14 (1) Compute compressed projector. (1) Use standard solver. (1) 5 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 631 Use submatrix version of eigh solver. (1) Block: 500 / 631 (2) Block: 250 / 500 (2) 241 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 17 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 491 eigenvectors found. (1) Block: 631 / 631 (1) 123 eigenvectors found. (1) Complementary block size: 17 (1) Compute compressed projector. (1) Use standard solver. (1) 8 eigenvectors found. Tree of FC basis block matrices: - (5357, 5281), data: False |-- (631, 622), data: False |-- (631, 8), data: (631, 17) @ (17, 8) |-- (131, 123), data: True |-- (500, 491), data: False |-- (500, 8), data: (500, 17) @ (17, 8) |-- (250, 242), data: True |-- (250, 241), data: True |-- (631, 622), data: False |-- (631, 5), data: (631, 14) @ (14, 5) |-- (131, 126), data: True |-- (500, 491), data: False |-- (500, 8), data: (500, 17) @ (17, 8) |-- (250, 242), data: True |-- (250, 241), data: True |-- (631, 622), data: False |-- (631, 8), data: (631, 17) @ (17, 8) |-- (131, 123), data: True |-- (500, 491), data: False |-- (500, 8), data: (500, 17) @ (17, 8) |-- (250, 242), data: True |-- (250, 241), data: True |-- (1152, 1136), data: False |-- (1152, 29), data: (1152, 45) @ (45, 29) |-- (152, 138), data: True |-- (500, 485), data: False |-- (500, 13), data: (500, 28) @ (28, 13) |-- (250, 236), data: True |-- (250, 236), data: True |-- (500, 484), data: False |-- (500, 16), data: (500, 32) @ (32, 16) |-- (250, 234), data: True |-- (250, 234), data: True |-- (1152, 1136), data: False |-- (1152, 29), data: (1152, 45) @ (45, 29) |-- (152, 138), data: True |-- (500, 485), data: False |-- (500, 13), data: (500, 28) @ (28, 13) |-- (250, 236), data: True |-- (250, 236), data: True |-- (500, 484), data: False |-- (500, 16), data: (500, 32) @ (32, 16) |-- (250, 234), data: True |-- (250, 234), data: True |-- (1160, 1143), data: False |-- (1160, 20), data: (1160, 37) @ (37, 20) |-- (160, 153), data: True |-- (500, 487), data: False |-- (500, 11), data: (500, 24) @ (24, 11) |-- (250, 239), data: True |-- (250, 237), data: True |-- (500, 483), data: False |-- (500, 15), data: (500, 32) @ (32, 15) |-- (250, 235), data: True |-- (250, 233), data: True ----- Solver_atoms: 1 -- 136 / 136 Time (Solver_compr_matrix_reshape): 0.010 Solver_block: 100 / 1040 - Time: 2.410 Solver_block: 200 / 1040 - Time: 2.352 Solver_block: 300 / 1040 - Time: 2.348 Solver_block: 400 / 1040 - Time: 2.334 Solver_block: 500 / 1040 - Time: 2.378 Solver_block: 600 / 1040 - Time: 2.366 Solver_block: 700 / 1040 - Time: 2.355 Solver_block: 800 / 1040 - Time: 2.377 Solver_block: 900 / 1040 - Time: 2.398 Solver_block: 1000 / 1040 - Time: 2.373 Solver_block: 1040 / 1040 - Time: 1.141 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 25.358 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (xx) 0.00000000 (xx) Permutation basis: 408/408 Permutation basis: 25986/25986 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 5357 Number of blocks in projector: 5357 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: 1160 Use submatrix version of eigh solver. (1) Block: 500 / 1160 (2) Block: 250 / 500 (2) 233 eigenvectors found. (2) Block: 500 / 500 (2) 235 eigenvectors found. (2) Complementary block size: 32 (2) Compute compressed projector. (2) Use standard solver. (2) 15 eigenvectors found. (1) 483 eigenvectors found. (1) Block: 1000 / 1160 (2) Block: 250 / 500 (2) 237 eigenvectors found. (2) Block: 500 / 500 (2) 239 eigenvectors found. (2) Complementary block size: 24 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 487 eigenvectors found. (1) Block: 1160 / 1160 (1) 153 eigenvectors found. (1) Complementary block size: 37 (1) Compute compressed projector. (1) Use standard solver. (1) 20 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 1152 Use submatrix version of eigh solver. (1) Block: 500 / 1152 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 234 eigenvectors found. (2) Complementary block size: 32 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 1000 / 1152 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 236 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 13 eigenvectors found. (1) 485 eigenvectors found. (1) Block: 1152 / 1152 (1) 138 eigenvectors found. (1) Complementary block size: 45 (1) Compute compressed projector. (1) Use standard solver. (1) 29 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 1152 Use submatrix version of eigh solver. (1) Block: 500 / 1152 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 234 eigenvectors found. (2) Complementary block size: 32 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 1000 / 1152 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 236 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 13 eigenvectors found. (1) 485 eigenvectors found. (1) Block: 1152 / 1152 (1) 138 eigenvectors found. (1) Complementary block size: 45 (1) Compute compressed projector. (1) Use standard solver. (1) 29 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 631 Use submatrix version of eigh solver. (1) Block: 500 / 631 (2) Block: 250 / 500 (2) 241 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 17 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 491 eigenvectors found. (1) Block: 631 / 631 (1) 123 eigenvectors found. (1) Complementary block size: 17 (1) Compute compressed projector. (1) Use standard solver. (1) 8 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 631 Use submatrix version of eigh solver. (1) Block: 500 / 631 (2) Block: 250 / 500 (2) 241 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 17 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 491 eigenvectors found. (1) Block: 631 / 631 (1) 126 eigenvectors found. (1) Complementary block size: 14 (1) Compute compressed projector. (1) Use standard solver. (1) 5 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 631 Use submatrix version of eigh solver. (1) Block: 500 / 631 (2) Block: 250 / 500 (2) 241 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 17 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 491 eigenvectors found. (1) Block: 631 / 631 (1) 123 eigenvectors found. (1) Complementary block size: 17 (1) Compute compressed projector. (1) Use standard solver. (1) 8 eigenvectors found. Tree of FC basis block matrices: - (5357, 5281), data: False |-- (631, 622), data: False |-- (631, 8), data: (631, 17) @ (17, 8) |-- (131, 123), data: True |-- (500, 491), data: False |-- (500, 8), data: (500, 17) @ (17, 8) |-- (250, 242), data: True |-- (250, 241), data: True |-- (631, 622), data: False |-- (631, 5), data: (631, 14) @ (14, 5) |-- (131, 126), data: True |-- (500, 491), data: False |-- (500, 8), data: (500, 17) @ (17, 8) |-- (250, 242), data: True |-- (250, 241), data: True |-- (631, 622), data: False |-- (631, 8), data: (631, 17) @ (17, 8) |-- (131, 123), data: True |-- (500, 491), data: False |-- (500, 8), data: (500, 17) @ (17, 8) |-- (250, 242), data: True |-- (250, 241), data: True |-- (1152, 1136), data: False |-- (1152, 29), data: (1152, 45) @ (45, 29) |-- (152, 138), data: True |-- (500, 485), data: False |-- (500, 13), data: (500, 28) @ (28, 13) |-- (250, 236), data: True |-- (250, 236), data: True |-- (500, 484), data: False |-- (500, 16), data: (500, 32) @ (32, 16) |-- (250, 234), data: True |-- (250, 234), data: True |-- (1152, 1136), data: False |-- (1152, 29), data: (1152, 45) @ (45, 29) |-- (152, 138), data: True |-- (500, 485), data: False |-- (500, 13), data: (500, 28) @ (28, 13) |-- (250, 236), data: True |-- (250, 236), data: True |-- (500, 484), data: False |-- (500, 16), data: (500, 32) @ (32, 16) |-- (250, 234), data: True |-- (250, 234), data: True |-- (1160, 1143), data: False |-- (1160, 20), data: (1160, 37) @ (37, 20) |-- (160, 153), data: True |-- (500, 487), data: False |-- (500, 11), data: (500, 24) @ (24, 11) |-- (250, 239), data: True |-- (250, 237), data: True |-- (500, 483), data: False |-- (500, 15), data: (500, 32) @ (32, 15) |-- (250, 235), data: True |-- (250, 233), data: True Max drift after symmetrization by symfc projector: 0.00000000 (xx) 0.00000000 (xx) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 09:05:16]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 09:05:16]------------------------- Compiled with OpenMP support (max 48 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 2 1] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/c (15) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.149651995170772 -2.550994870000000 0.000000000000000 b 6.149651995170772 2.550994870000000 0.000000000000000 c -4.467601788967628 0.000000000000000 15.347808935828372 Atomic positions (fractional): 1 O 0.86438685577450 0.13561314422550 0.25000000000000 15.999 2 O 0.13561314422550 0.86438685577450 0.75000000000000 15.999 3 O 0.90977527439345 0.78518474513304 0.32959067939057 15.999 4 O 0.21481525486696 0.09022472560655 0.17040932060943 15.999 5 O 0.09022472560655 0.21481525486696 0.67040932060943 15.999 6 O 0.78518474513304 0.90977527439345 0.82959067939057 15.999 7 O 0.55639522092117 0.39631932743833 0.40276591954004 15.999 8 O 0.60368067256167 0.44360477907883 0.09723408045996 15.999 9 O 0.44360477907883 0.60368067256166 0.59723408045996 15.999 10 O 0.39631932743834 0.55639522092117 0.90276591954004 15.999 11 O 0.17732552538633 0.95856385004140 0.45423409239528 15.999 12 O 0.04143614995860 0.82267447461367 0.04576590760472 15.999 13 O 0.18818061383764 0.31551454187464 0.87006947915060 15.999 14 O 0.68448545812536 0.81181938616236 0.62993052084940 15.999 15 O 0.81181938616236 0.68448545812536 0.12993052084940 15.999 16 O 0.31551454187464 0.18818061383764 0.37006947915060 15.999 17 O 0.66358376577761 0.75298031834735 0.94642742561056 15.999 18 O 0.24701968165265 0.33641623422240 0.55357257438944 15.999 19 O 0.33641623422239 0.24701968165265 0.05357257438944 15.999 20 O 0.75298031834735 0.66358376577761 0.44642742561056 15.999 21 O 0.95856385004140 0.17732552538633 0.95423409239528 15.999 22 O 0.82267447461367 0.04143614995860 0.54576590760472 15.999 23 Te 0.84769393159021 0.40243228829896 0.20188617919897 127.600 24 Te 0.59756771170104 0.15230606840979 0.29811382080103 127.600 25 Te 0.15230606840979 0.59756771170104 0.79811382080103 127.600 26 Te 0.40243228829896 0.84769393159021 0.70188617919897 127.600 27 Te 0.40855934064418 0.84017762860381 0.37117942641215 127.600 28 Te 0.15982237139619 0.59144065935582 0.12882057358785 127.600 29 Te 0.59144065935582 0.15982237139619 0.62882057358785 127.600 30 Te 0.84017762860381 0.40855934064418 0.87117942641215 127.600 31 Tb 0.37171091693781 0.86590939546666 0.03682253642905 158.925 32 Tb 0.13409060453334 0.62828908306219 0.46317746357095 158.925 33 Tb 0.62828908306219 0.13409060453334 0.96317746357095 158.925 34 Tb 0.86590939546666 0.37171091693781 0.53682253642905 158.925 -------------------------------- supercell --------------------------------- Lattice vectors: a 12.299303990341544 0.000000000000000 0.000000000000000 b 0.000000000000000 10.203979479999999 0.000000000000000 c -4.467601788967628 0.000000000000000 15.347808935828372 Atomic positions (fractional): 1 O 0.00000000000000 0.06780657211275 0.25000000000000 15.999 > 1 2 O 0.00000000000000 0.56780657211275 0.25000000000000 15.999 > 1 3 O 0.00000000000000 0.43219342788725 0.75000000000000 15.999 > 3 4 O 0.00000000000000 0.93219342788725 0.75000000000000 15.999 > 3 5 O 0.84748000976325 0.46885236768490 0.32959067939057 15.999 > 5 6 O 0.84748000976325 0.96885236768490 0.32959067939057 15.999 > 5 7 O 0.65251999023675 0.21885236768490 0.17040932060943 15.999 > 7 8 O 0.65251999023675 0.71885236768490 0.17040932060943 15.999 > 7 9 O 0.15251999023675 0.03114763231510 0.67040932060943 15.999 > 9 10 O 0.15251999023675 0.53114763231510 0.67040932060943 15.999 > 9 11 O 0.34748000976325 0.28114763231510 0.82959067939057 15.999 > 11 12 O 0.34748000976325 0.78114763231510 0.82959067939057 15.999 > 11 13 O 0.97635727417975 0.20998102662929 0.40276591954004 15.999 > 13 14 O 0.97635727417975 0.70998102662929 0.40276591954004 15.999 > 13 15 O 0.02364272582025 0.20998102662929 0.09723408045996 15.999 > 15 16 O 0.02364272582025 0.70998102662929 0.09723408045996 15.999 > 15 17 O 0.02364272582025 0.29001897337071 0.59723408045996 15.999 > 17 18 O 0.02364272582025 0.79001897337071 0.59723408045996 15.999 > 17 19 O 0.97635727417975 0.29001897337071 0.90276591954004 15.999 > 19 20 O 0.97635727417975 0.79001897337071 0.90276591954004 15.999 > 19 21 O 0.06794468771387 0.44530958116377 0.45423409239528 15.999 > 21 22 O 0.06794468771387 0.94530958116377 0.45423409239528 15.999 > 21 23 O 0.93205531228613 0.44530958116377 0.04576590760472 15.999 > 23 24 O 0.93205531228613 0.94530958116377 0.04576590760472 15.999 > 23 25 O 0.25184757785614 0.03183348200925 0.87006947915060 15.999 > 25 26 O 0.25184757785614 0.53183348200925 0.87006947915060 15.999 > 25 27 O 0.24815242214386 0.28183348200925 0.62993052084940 15.999 > 27 28 O 0.24815242214386 0.78183348200925 0.62993052084940 15.999 > 27 29 O 0.74815242214386 0.46816651799075 0.12993052084940 15.999 > 29 30 O 0.74815242214386 0.96816651799075 0.12993052084940 15.999 > 29 31 O 0.75184757785614 0.21816651799075 0.37006947915060 15.999 > 31 32 O 0.75184757785614 0.71816651799075 0.37006947915060 15.999 > 31 33 O 0.20828204206248 0.27234913814244 0.94642742561056 15.999 > 33 34 O 0.20828204206248 0.77234913814244 0.94642742561056 15.999 > 33 35 O 0.79171795793752 0.27234913814244 0.55357257438944 15.999 > 35 36 O 0.79171795793752 0.77234913814244 0.55357257438944 15.999 > 35 37 O 0.79171795793752 0.22765086185756 0.05357257438944 15.999 > 37 38 O 0.79171795793752 0.72765086185756 0.05357257438944 15.999 > 37 39 O 0.20828204206248 0.22765086185756 0.44642742561056 15.999 > 39 40 O 0.20828204206248 0.72765086185756 0.44642742561056 15.999 > 39 41 O 0.06794468771387 0.05469041883623 0.95423409239528 15.999 > 41 42 O 0.06794468771387 0.55469041883623 0.95423409239528 15.999 > 41 43 O 0.93205531228613 0.05469041883623 0.54576590760472 15.999 > 43 44 O 0.93205531228613 0.55469041883623 0.54576590760472 15.999 > 43 45 O 0.50000000000000 0.31780657211275 0.25000000000000 15.999 > 1 46 O 0.50000000000000 0.81780657211275 0.25000000000000 15.999 > 1 47 O 0.50000000000000 0.18219342788725 0.75000000000000 15.999 > 3 48 O 0.50000000000000 0.68219342788725 0.75000000000000 15.999 > 3 49 O 0.34748000976325 0.21885236768490 0.32959067939057 15.999 > 5 50 O 0.34748000976325 0.71885236768490 0.32959067939057 15.999 > 5 51 O 0.15251999023675 0.46885236768490 0.17040932060943 15.999 > 7 52 O 0.15251999023675 0.96885236768490 0.17040932060943 15.999 > 7 53 O 0.65251999023675 0.28114763231510 0.67040932060943 15.999 > 9 54 O 0.65251999023675 0.78114763231510 0.67040932060943 15.999 > 9 55 O 0.84748000976325 0.03114763231510 0.82959067939057 15.999 > 11 56 O 0.84748000976325 0.53114763231510 0.82959067939057 15.999 > 11 57 O 0.47635727417975 0.45998102662929 0.40276591954004 15.999 > 13 58 O 0.47635727417975 0.95998102662929 0.40276591954004 15.999 > 13 59 O 0.52364272582025 0.45998102662929 0.09723408045996 15.999 > 15 60 O 0.52364272582025 0.95998102662929 0.09723408045996 15.999 > 15 61 O 0.52364272582025 0.04001897337071 0.59723408045996 15.999 > 17 62 O 0.52364272582025 0.54001897337071 0.59723408045996 15.999 > 17 63 O 0.47635727417975 0.04001897337071 0.90276591954004 15.999 > 19 64 O 0.47635727417975 0.54001897337071 0.90276591954004 15.999 > 19 65 O 0.56794468771387 0.19530958116377 0.45423409239528 15.999 > 21 66 O 0.56794468771387 0.69530958116377 0.45423409239528 15.999 > 21 67 O 0.43205531228613 0.19530958116377 0.04576590760472 15.999 > 23 68 O 0.43205531228613 0.69530958116377 0.04576590760472 15.999 > 23 69 O 0.75184757785614 0.28183348200925 0.87006947915060 15.999 > 25 70 O 0.75184757785614 0.78183348200925 0.87006947915060 15.999 > 25 71 O 0.74815242214386 0.03183348200925 0.62993052084940 15.999 > 27 72 O 0.74815242214386 0.53183348200925 0.62993052084940 15.999 > 27 73 O 0.24815242214386 0.21816651799075 0.12993052084940 15.999 > 29 74 O 0.24815242214386 0.71816651799075 0.12993052084940 15.999 > 29 75 O 0.25184757785614 0.46816651799075 0.37006947915060 15.999 > 31 76 O 0.25184757785614 0.96816651799075 0.37006947915060 15.999 > 31 77 O 0.70828204206248 0.02234913814244 0.94642742561056 15.999 > 33 78 O 0.70828204206248 0.52234913814244 0.94642742561056 15.999 > 33 79 O 0.29171795793752 0.02234913814244 0.55357257438944 15.999 > 35 80 O 0.29171795793752 0.52234913814244 0.55357257438944 15.999 > 35 81 O 0.29171795793752 0.47765086185756 0.05357257438944 15.999 > 37 82 O 0.29171795793752 0.97765086185756 0.05357257438944 15.999 > 37 83 O 0.70828204206248 0.47765086185756 0.44642742561056 15.999 > 39 84 O 0.70828204206248 0.97765086185756 0.44642742561056 15.999 > 39 85 O 0.56794468771387 0.30469041883623 0.95423409239528 15.999 > 41 86 O 0.56794468771387 0.80469041883623 0.95423409239528 15.999 > 41 87 O 0.43205531228613 0.30469041883623 0.54576590760472 15.999 > 43 88 O 0.43205531228613 0.80469041883623 0.54576590760472 15.999 > 43 89 Te 0.62506310994458 0.38868458917719 0.20188617919897 127.600 > 89 90 Te 0.62506310994458 0.88868458917719 0.20188617919897 127.600 > 89 91 Te 0.87493689005542 0.13868458917719 0.29811382080103 127.600 > 91 92 Te 0.87493689005542 0.63868458917719 0.29811382080103 127.600 > 91 93 Te 0.37493689005542 0.11131541082281 0.79811382080103 127.600 > 93 94 Te 0.37493689005542 0.61131541082281 0.79811382080103 127.600 > 93 95 Te 0.12506310994458 0.36131541082281 0.70188617919897 127.600 > 95 96 Te 0.12506310994458 0.86131541082281 0.70188617919897 127.600 > 95 97 Te 0.12436848462399 0.35790457198991 0.37117942641215 127.600 > 97 98 Te 0.12436848462399 0.85790457198991 0.37117942641215 127.600 > 97 99 Te 0.87563151537601 0.35790457198991 0.12882057358785 127.600 > 99 100 Te 0.87563151537601 0.85790457198991 0.12882057358785 127.600 > 99 101 Te 0.87563151537601 0.14209542801009 0.62882057358785 127.600 > 101 102 Te 0.87563151537601 0.64209542801009 0.62882057358785 127.600 > 101 103 Te 0.12436848462399 0.14209542801009 0.87117942641215 127.600 > 103 104 Te 0.12436848462399 0.64209542801009 0.87117942641215 127.600 > 103 105 Te 0.12506310994458 0.13868458917719 0.20188617919897 127.600 > 89 106 Te 0.12506310994458 0.63868458917719 0.20188617919897 127.600 > 89 107 Te 0.37493689005542 0.38868458917719 0.29811382080103 127.600 > 91 108 Te 0.37493689005542 0.88868458917719 0.29811382080103 127.600 > 91 109 Te 0.87493689005542 0.36131541082281 0.79811382080103 127.600 > 93 110 Te 0.87493689005542 0.86131541082281 0.79811382080103 127.600 > 93 111 Te 0.62506310994458 0.11131541082281 0.70188617919897 127.600 > 95 112 Te 0.62506310994458 0.61131541082281 0.70188617919897 127.600 > 95 113 Te 0.62436848462399 0.10790457198991 0.37117942641215 127.600 > 97 114 Te 0.62436848462399 0.60790457198991 0.37117942641215 127.600 > 97 115 Te 0.37563151537600 0.10790457198991 0.12882057358785 127.600 > 99 116 Te 0.37563151537600 0.60790457198991 0.12882057358785 127.600 > 99 117 Te 0.37563151537600 0.39209542801009 0.62882057358785 127.600 > 101 118 Te 0.37563151537600 0.89209542801009 0.62882057358785 127.600 > 101 119 Te 0.62436848462399 0.39209542801009 0.87117942641215 127.600 > 103 120 Te 0.62436848462399 0.89209542801009 0.87117942641215 127.600 > 103 121 Tb 0.61881015620223 0.12354961963221 0.03682253642905 158.925 > 121 122 Tb 0.61881015620223 0.62354961963221 0.03682253642905 158.925 > 121 123 Tb 0.88118984379777 0.37354961963221 0.46317746357095 158.925 > 123 124 Tb 0.88118984379777 0.87354961963221 0.46317746357095 158.925 > 123 125 Tb 0.38118984379777 0.37645038036779 0.96317746357095 158.925 > 125 126 Tb 0.38118984379777 0.87645038036779 0.96317746357095 158.925 > 125 127 Tb 0.11881015620223 0.12645038036779 0.53682253642905 158.925 > 127 128 Tb 0.11881015620223 0.62645038036779 0.53682253642905 158.925 > 127 129 Tb 0.11881015620223 0.37354961963221 0.03682253642905 158.925 > 121 130 Tb 0.11881015620223 0.87354961963221 0.03682253642905 158.925 > 121 131 Tb 0.38118984379777 0.12354961963221 0.46317746357095 158.925 > 123 132 Tb 0.38118984379777 0.62354961963221 0.46317746357095 158.925 > 123 133 Tb 0.88118984379777 0.12645038036779 0.96317746357095 158.925 > 125 134 Tb 0.88118984379777 0.62645038036779 0.96317746357095 158.925 > 125 135 Tb 0.61881015620223 0.37645038036779 0.53682253642905 158.925 > 127 136 Tb 0.61881015620223 0.87645038036779 0.53682253642905 158.925 > 127 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 5.5171957 0.0000000 -0.5386356 0.0000000 4.9546789 0.0000000 -0.5386355 0.0000000 4.6965032 -------------------------- Born effective charges -------------------------- 1 O -4.5315627 0.0000000 0.9580874 0.0000000 -1.7792235 0.0000000 1.6306764 0.0000000 -1.6864598 2 O -4.5315627 0.0000000 0.9580874 0.0000000 -1.7792235 0.0000000 1.6306764 0.0000000 -1.6864598 3 O -1.7224601 -0.7364138 0.3729441 -0.3283138 -2.7100439 0.8567137 0.0910098 0.4676049 -1.9584497 4 O -1.7224601 0.7364138 0.3729441 0.3283138 -2.7100439 -0.8567137 0.0910098 -0.4676049 -1.9584497 5 O -1.7224601 -0.7364138 0.3729441 -0.3283138 -2.7100439 0.8567137 0.0910098 0.4676049 -1.9584497 6 O -1.7224601 0.7364138 0.3729441 0.3283138 -2.7100439 -0.8567137 0.0910098 -0.4676049 -1.9584497 7 O -2.4003335 -0.4575447 -0.3697951 -0.4615016 -2.0023422 -0.6783957 -0.3706188 -0.4828580 -2.6212401 8 O -2.4003335 0.4575447 -0.3697951 0.4615016 -2.0023422 0.6783957 -0.3706188 0.4828580 -2.6212401 9 O -2.4003335 -0.4575447 -0.3697951 -0.4615016 -2.0023422 -0.6783957 -0.3706188 -0.4828580 -2.6212401 10 O -2.4003335 0.4575447 -0.3697951 0.4615016 -2.0023422 0.6783957 -0.3706188 0.4828580 -2.6212401 11 O -2.3392942 0.2810746 0.9206391 0.3925050 -2.1848354 -1.0686816 0.5111577 -0.9255823 -2.2246673 12 O -2.3392942 -0.2810746 0.9206391 -0.3925050 -2.1848354 1.0686816 0.5111577 0.9255823 -2.2246673 13 O -3.8574461 0.7462720 0.3973296 0.9768916 -1.9945504 0.2928741 0.7516127 0.0031710 -1.6662193 14 O -3.8574461 -0.7462720 0.3973296 -0.9768916 -1.9945504 -0.2928741 0.7516127 -0.0031710 -1.6662193 15 O -3.8574461 0.7462720 0.3973296 0.9768916 -1.9945504 0.2928741 0.7516127 0.0031710 -1.6662193 16 O -3.8574461 -0.7462720 0.3973296 -0.9768916 -1.9945504 -0.2928741 0.7516127 -0.0031710 -1.6662193 17 O -2.1262188 -0.3539172 -0.0506945 -0.3336722 -2.3390653 -1.2548567 -0.1121870 -0.8871174 -2.0650274 18 O -2.1262188 0.3539172 -0.0506945 0.3336722 -2.3390653 1.2548567 -0.1121870 0.8871174 -2.0650274 19 O -2.1262188 -0.3539172 -0.0506945 -0.3336722 -2.3390653 -1.2548567 -0.1121870 -0.8871174 -2.0650274 20 O -2.1262188 0.3539172 -0.0506945 0.3336722 -2.3390653 1.2548567 -0.1121870 0.8871174 -2.0650274 21 O -2.3392942 -0.2810746 0.9206391 -0.3925050 -2.1848354 1.0686816 0.5111577 0.9255823 -2.2246673 22 O -2.3392942 0.2810746 0.9206391 0.3925050 -2.1848354 -1.0686816 0.5111577 -0.9255823 -2.2246673 23 Te 5.8005304 0.7872383 -0.9661867 0.1602981 3.5393282 -0.6871291 -1.0244823 -0.9509436 3.6820297 24 Te 5.8005304 -0.7872383 -0.9661867 -0.1602981 3.5393282 0.6871291 -1.0244823 0.9509436 3.6820297 25 Te 5.8005304 0.7872383 -0.9661867 0.1602981 3.5393282 -0.6871291 -1.0244823 -0.9509436 3.6820297 26 Te 5.8005304 -0.7872383 -0.9661867 -0.1602981 3.5393282 0.6871291 -1.0244823 0.9509436 3.6820297 27 Te 4.8858028 0.9851506 -0.3497489 0.4908347 4.0996099 -0.6395792 -0.3953171 -0.6436213 3.0308174 28 Te 4.8858028 -0.9851506 -0.3497489 -0.4908347 4.0996099 0.6395792 -0.3953171 0.6436213 3.0308174 29 Te 4.8858028 0.9851506 -0.3497489 0.4908347 4.0996099 -0.6395792 -0.3953171 -0.6436213 3.0308174 30 Te 4.8858028 -0.9851506 -0.3497489 -0.4908347 4.0996099 0.6395792 -0.3953171 0.6436213 3.0308174 31 Tb 4.0252007 0.1258459 -0.4335311 0.0001228 4.4815109 0.2223523 -0.2665130 -0.0990193 4.6659866 32 Tb 4.0252007 -0.1258459 -0.4335311 -0.0001228 4.4815109 -0.2223523 -0.2665130 0.0990193 4.6659866 33 Tb 4.0252007 0.1258459 -0.4335311 0.0001228 4.4815109 0.2223523 -0.2665130 -0.0990193 4.6659866 34 Tb 4.0252007 -0.1258459 -0.4335311 -0.0001228 4.4815109 -0.2223523 -0.2665130 0.0990193 4.6659866 ---------------------------------------------------------------------------- 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] [-0.0028 0.0000 0.0096] [ 0.0028 0.0000 -0.0096] Computing fc3[ 5, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0028 0.0000 0.0096] [ 0.0028 0.0000 -0.0096] Computing fc3[ 13, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0028 0.0000 0.0096] [ 0.0028 0.0000 -0.0096] Computing fc3[ 21, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0028 0.0000 0.0096] [ 0.0028 0.0000 -0.0096] 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] [-0.0028 0.0000 0.0096] [ 0.0028 0.0000 -0.0096] Computing fc3[ 33, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0028 0.0000 0.0096] [ 0.0028 0.0000 -0.0096] Computing fc3[ 89, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0028 0.0000 0.0096] [ 0.0028 0.0000 -0.0096] Computing fc3[ 97, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0028 0.0000 0.0096] [ 0.0028 0.0000 -0.0096] Computing fc3[ 121, 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] [-0.0028 0.0000 0.0096] [ 0.0028 0.0000 -0.0096] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000000 (zxz) -0.00000000 (zxz) -0.00000000 (zzx) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000000 (zy) -0.00000000 (zy) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 09:06:19]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 09:06:20]------------------------- Compiled with OpenMP support (max 48 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 2 1] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/c (15) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.149651995170772 -2.550994870000000 0.000000000000000 b 6.149651995170772 2.550994870000000 0.000000000000000 c -4.467601788967628 0.000000000000000 15.347808935828372 Atomic positions (fractional): 1 O 0.86438685577450 0.13561314422550 0.25000000000000 15.999 2 O 0.13561314422550 0.86438685577450 0.75000000000000 15.999 3 O 0.90977527439345 0.78518474513304 0.32959067939057 15.999 4 O 0.21481525486696 0.09022472560655 0.17040932060943 15.999 5 O 0.09022472560655 0.21481525486696 0.67040932060943 15.999 6 O 0.78518474513304 0.90977527439345 0.82959067939057 15.999 7 O 0.55639522092117 0.39631932743833 0.40276591954004 15.999 8 O 0.60368067256167 0.44360477907883 0.09723408045996 15.999 9 O 0.44360477907883 0.60368067256166 0.59723408045996 15.999 10 O 0.39631932743834 0.55639522092117 0.90276591954004 15.999 11 O 0.17732552538633 0.95856385004140 0.45423409239528 15.999 12 O 0.04143614995860 0.82267447461367 0.04576590760472 15.999 13 O 0.18818061383764 0.31551454187464 0.87006947915060 15.999 14 O 0.68448545812536 0.81181938616236 0.62993052084940 15.999 15 O 0.81181938616236 0.68448545812536 0.12993052084940 15.999 16 O 0.31551454187464 0.18818061383764 0.37006947915060 15.999 17 O 0.66358376577761 0.75298031834735 0.94642742561056 15.999 18 O 0.24701968165265 0.33641623422240 0.55357257438944 15.999 19 O 0.33641623422239 0.24701968165265 0.05357257438944 15.999 20 O 0.75298031834735 0.66358376577761 0.44642742561056 15.999 21 O 0.95856385004140 0.17732552538633 0.95423409239528 15.999 22 O 0.82267447461367 0.04143614995860 0.54576590760472 15.999 23 Te 0.84769393159021 0.40243228829896 0.20188617919897 127.600 24 Te 0.59756771170104 0.15230606840979 0.29811382080103 127.600 25 Te 0.15230606840979 0.59756771170104 0.79811382080103 127.600 26 Te 0.40243228829896 0.84769393159021 0.70188617919897 127.600 27 Te 0.40855934064418 0.84017762860381 0.37117942641215 127.600 28 Te 0.15982237139619 0.59144065935582 0.12882057358785 127.600 29 Te 0.59144065935582 0.15982237139619 0.62882057358785 127.600 30 Te 0.84017762860381 0.40855934064418 0.87117942641215 127.600 31 Tb 0.37171091693781 0.86590939546666 0.03682253642905 158.925 32 Tb 0.13409060453334 0.62828908306219 0.46317746357095 158.925 33 Tb 0.62828908306219 0.13409060453334 0.96317746357095 158.925 34 Tb 0.86590939546666 0.37171091693781 0.53682253642905 158.925 -------------------------------- supercell --------------------------------- Lattice vectors: a 12.299303990341544 0.000000000000000 0.000000000000000 b 0.000000000000000 10.203979479999999 0.000000000000000 c -4.467601788967628 0.000000000000000 15.347808935828372 Atomic positions (fractional): 1 O 0.00000000000000 0.06780657211275 0.25000000000000 15.999 > 1 2 O 0.00000000000000 0.56780657211275 0.25000000000000 15.999 > 1 3 O 0.00000000000000 0.43219342788725 0.75000000000000 15.999 > 3 4 O 0.00000000000000 0.93219342788725 0.75000000000000 15.999 > 3 5 O 0.84748000976325 0.46885236768490 0.32959067939057 15.999 > 5 6 O 0.84748000976325 0.96885236768490 0.32959067939057 15.999 > 5 7 O 0.65251999023675 0.21885236768490 0.17040932060943 15.999 > 7 8 O 0.65251999023675 0.71885236768490 0.17040932060943 15.999 > 7 9 O 0.15251999023675 0.03114763231510 0.67040932060943 15.999 > 9 10 O 0.15251999023675 0.53114763231510 0.67040932060943 15.999 > 9 11 O 0.34748000976325 0.28114763231510 0.82959067939057 15.999 > 11 12 O 0.34748000976325 0.78114763231510 0.82959067939057 15.999 > 11 13 O 0.97635727417975 0.20998102662929 0.40276591954004 15.999 > 13 14 O 0.97635727417975 0.70998102662929 0.40276591954004 15.999 > 13 15 O 0.02364272582025 0.20998102662929 0.09723408045996 15.999 > 15 16 O 0.02364272582025 0.70998102662929 0.09723408045996 15.999 > 15 17 O 0.02364272582025 0.29001897337071 0.59723408045996 15.999 > 17 18 O 0.02364272582025 0.79001897337071 0.59723408045996 15.999 > 17 19 O 0.97635727417975 0.29001897337071 0.90276591954004 15.999 > 19 20 O 0.97635727417975 0.79001897337071 0.90276591954004 15.999 > 19 21 O 0.06794468771387 0.44530958116377 0.45423409239528 15.999 > 21 22 O 0.06794468771387 0.94530958116377 0.45423409239528 15.999 > 21 23 O 0.93205531228613 0.44530958116377 0.04576590760472 15.999 > 23 24 O 0.93205531228613 0.94530958116377 0.04576590760472 15.999 > 23 25 O 0.25184757785614 0.03183348200925 0.87006947915060 15.999 > 25 26 O 0.25184757785614 0.53183348200925 0.87006947915060 15.999 > 25 27 O 0.24815242214386 0.28183348200925 0.62993052084940 15.999 > 27 28 O 0.24815242214386 0.78183348200925 0.62993052084940 15.999 > 27 29 O 0.74815242214386 0.46816651799075 0.12993052084940 15.999 > 29 30 O 0.74815242214386 0.96816651799075 0.12993052084940 15.999 > 29 31 O 0.75184757785614 0.21816651799075 0.37006947915060 15.999 > 31 32 O 0.75184757785614 0.71816651799075 0.37006947915060 15.999 > 31 33 O 0.20828204206248 0.27234913814244 0.94642742561056 15.999 > 33 34 O 0.20828204206248 0.77234913814244 0.94642742561056 15.999 > 33 35 O 0.79171795793752 0.27234913814244 0.55357257438944 15.999 > 35 36 O 0.79171795793752 0.77234913814244 0.55357257438944 15.999 > 35 37 O 0.79171795793752 0.22765086185756 0.05357257438944 15.999 > 37 38 O 0.79171795793752 0.72765086185756 0.05357257438944 15.999 > 37 39 O 0.20828204206248 0.22765086185756 0.44642742561056 15.999 > 39 40 O 0.20828204206248 0.72765086185756 0.44642742561056 15.999 > 39 41 O 0.06794468771387 0.05469041883623 0.95423409239528 15.999 > 41 42 O 0.06794468771387 0.55469041883623 0.95423409239528 15.999 > 41 43 O 0.93205531228613 0.05469041883623 0.54576590760472 15.999 > 43 44 O 0.93205531228613 0.55469041883623 0.54576590760472 15.999 > 43 45 O 0.50000000000000 0.31780657211275 0.25000000000000 15.999 > 1 46 O 0.50000000000000 0.81780657211275 0.25000000000000 15.999 > 1 47 O 0.50000000000000 0.18219342788725 0.75000000000000 15.999 > 3 48 O 0.50000000000000 0.68219342788725 0.75000000000000 15.999 > 3 49 O 0.34748000976325 0.21885236768490 0.32959067939057 15.999 > 5 50 O 0.34748000976325 0.71885236768490 0.32959067939057 15.999 > 5 51 O 0.15251999023675 0.46885236768490 0.17040932060943 15.999 > 7 52 O 0.15251999023675 0.96885236768490 0.17040932060943 15.999 > 7 53 O 0.65251999023675 0.28114763231510 0.67040932060943 15.999 > 9 54 O 0.65251999023675 0.78114763231510 0.67040932060943 15.999 > 9 55 O 0.84748000976325 0.03114763231510 0.82959067939057 15.999 > 11 56 O 0.84748000976325 0.53114763231510 0.82959067939057 15.999 > 11 57 O 0.47635727417975 0.45998102662929 0.40276591954004 15.999 > 13 58 O 0.47635727417975 0.95998102662929 0.40276591954004 15.999 > 13 59 O 0.52364272582025 0.45998102662929 0.09723408045996 15.999 > 15 60 O 0.52364272582025 0.95998102662929 0.09723408045996 15.999 > 15 61 O 0.52364272582025 0.04001897337071 0.59723408045996 15.999 > 17 62 O 0.52364272582025 0.54001897337071 0.59723408045996 15.999 > 17 63 O 0.47635727417975 0.04001897337071 0.90276591954004 15.999 > 19 64 O 0.47635727417975 0.54001897337071 0.90276591954004 15.999 > 19 65 O 0.56794468771387 0.19530958116377 0.45423409239528 15.999 > 21 66 O 0.56794468771387 0.69530958116377 0.45423409239528 15.999 > 21 67 O 0.43205531228613 0.19530958116377 0.04576590760472 15.999 > 23 68 O 0.43205531228613 0.69530958116377 0.04576590760472 15.999 > 23 69 O 0.75184757785614 0.28183348200925 0.87006947915060 15.999 > 25 70 O 0.75184757785614 0.78183348200925 0.87006947915060 15.999 > 25 71 O 0.74815242214386 0.03183348200925 0.62993052084940 15.999 > 27 72 O 0.74815242214386 0.53183348200925 0.62993052084940 15.999 > 27 73 O 0.24815242214386 0.21816651799075 0.12993052084940 15.999 > 29 74 O 0.24815242214386 0.71816651799075 0.12993052084940 15.999 > 29 75 O 0.25184757785614 0.46816651799075 0.37006947915060 15.999 > 31 76 O 0.25184757785614 0.96816651799075 0.37006947915060 15.999 > 31 77 O 0.70828204206248 0.02234913814244 0.94642742561056 15.999 > 33 78 O 0.70828204206248 0.52234913814244 0.94642742561056 15.999 > 33 79 O 0.29171795793752 0.02234913814244 0.55357257438944 15.999 > 35 80 O 0.29171795793752 0.52234913814244 0.55357257438944 15.999 > 35 81 O 0.29171795793752 0.47765086185756 0.05357257438944 15.999 > 37 82 O 0.29171795793752 0.97765086185756 0.05357257438944 15.999 > 37 83 O 0.70828204206248 0.47765086185756 0.44642742561056 15.999 > 39 84 O 0.70828204206248 0.97765086185756 0.44642742561056 15.999 > 39 85 O 0.56794468771387 0.30469041883623 0.95423409239528 15.999 > 41 86 O 0.56794468771387 0.80469041883623 0.95423409239528 15.999 > 41 87 O 0.43205531228613 0.30469041883623 0.54576590760472 15.999 > 43 88 O 0.43205531228613 0.80469041883623 0.54576590760472 15.999 > 43 89 Te 0.62506310994458 0.38868458917719 0.20188617919897 127.600 > 89 90 Te 0.62506310994458 0.88868458917719 0.20188617919897 127.600 > 89 91 Te 0.87493689005542 0.13868458917719 0.29811382080103 127.600 > 91 92 Te 0.87493689005542 0.63868458917719 0.29811382080103 127.600 > 91 93 Te 0.37493689005542 0.11131541082281 0.79811382080103 127.600 > 93 94 Te 0.37493689005542 0.61131541082281 0.79811382080103 127.600 > 93 95 Te 0.12506310994458 0.36131541082281 0.70188617919897 127.600 > 95 96 Te 0.12506310994458 0.86131541082281 0.70188617919897 127.600 > 95 97 Te 0.12436848462399 0.35790457198991 0.37117942641215 127.600 > 97 98 Te 0.12436848462399 0.85790457198991 0.37117942641215 127.600 > 97 99 Te 0.87563151537601 0.35790457198991 0.12882057358785 127.600 > 99 100 Te 0.87563151537601 0.85790457198991 0.12882057358785 127.600 > 99 101 Te 0.87563151537601 0.14209542801009 0.62882057358785 127.600 > 101 102 Te 0.87563151537601 0.64209542801009 0.62882057358785 127.600 > 101 103 Te 0.12436848462399 0.14209542801009 0.87117942641215 127.600 > 103 104 Te 0.12436848462399 0.64209542801009 0.87117942641215 127.600 > 103 105 Te 0.12506310994458 0.13868458917719 0.20188617919897 127.600 > 89 106 Te 0.12506310994458 0.63868458917719 0.20188617919897 127.600 > 89 107 Te 0.37493689005542 0.38868458917719 0.29811382080103 127.600 > 91 108 Te 0.37493689005542 0.88868458917719 0.29811382080103 127.600 > 91 109 Te 0.87493689005542 0.36131541082281 0.79811382080103 127.600 > 93 110 Te 0.87493689005542 0.86131541082281 0.79811382080103 127.600 > 93 111 Te 0.62506310994458 0.11131541082281 0.70188617919897 127.600 > 95 112 Te 0.62506310994458 0.61131541082281 0.70188617919897 127.600 > 95 113 Te 0.62436848462399 0.10790457198991 0.37117942641215 127.600 > 97 114 Te 0.62436848462399 0.60790457198991 0.37117942641215 127.600 > 97 115 Te 0.37563151537600 0.10790457198991 0.12882057358785 127.600 > 99 116 Te 0.37563151537600 0.60790457198991 0.12882057358785 127.600 > 99 117 Te 0.37563151537600 0.39209542801009 0.62882057358785 127.600 > 101 118 Te 0.37563151537600 0.89209542801009 0.62882057358785 127.600 > 101 119 Te 0.62436848462399 0.39209542801009 0.87117942641215 127.600 > 103 120 Te 0.62436848462399 0.89209542801009 0.87117942641215 127.600 > 103 121 Tb 0.61881015620223 0.12354961963221 0.03682253642905 158.925 > 121 122 Tb 0.61881015620223 0.62354961963221 0.03682253642905 158.925 > 121 123 Tb 0.88118984379777 0.37354961963221 0.46317746357095 158.925 > 123 124 Tb 0.88118984379777 0.87354961963221 0.46317746357095 158.925 > 123 125 Tb 0.38118984379777 0.37645038036779 0.96317746357095 158.925 > 125 126 Tb 0.38118984379777 0.87645038036779 0.96317746357095 158.925 > 125 127 Tb 0.11881015620223 0.12645038036779 0.53682253642905 158.925 > 127 128 Tb 0.11881015620223 0.62645038036779 0.53682253642905 158.925 > 127 129 Tb 0.11881015620223 0.37354961963221 0.03682253642905 158.925 > 121 130 Tb 0.11881015620223 0.87354961963221 0.03682253642905 158.925 > 121 131 Tb 0.38118984379777 0.12354961963221 0.46317746357095 158.925 > 123 132 Tb 0.38118984379777 0.62354961963221 0.46317746357095 158.925 > 123 133 Tb 0.88118984379777 0.12645038036779 0.96317746357095 158.925 > 125 134 Tb 0.88118984379777 0.62645038036779 0.96317746357095 158.925 > 125 135 Tb 0.61881015620223 0.37645038036779 0.53682253642905 158.925 > 127 136 Tb 0.61881015620223 0.87645038036779 0.53682253642905 158.925 > 127 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 5.5171957 0.0000000 -0.5386356 0.0000000 4.9546789 0.0000000 -0.5386355 0.0000000 4.6965032 -------------------------- Born effective charges -------------------------- 1 O -4.5315627 0.0000000 0.9580874 0.0000000 -1.7792235 0.0000000 1.6306764 0.0000000 -1.6864598 2 O -4.5315627 0.0000000 0.9580874 0.0000000 -1.7792235 0.0000000 1.6306764 0.0000000 -1.6864598 3 O -1.7224601 -0.7364138 0.3729441 -0.3283138 -2.7100439 0.8567137 0.0910098 0.4676049 -1.9584497 4 O -1.7224601 0.7364138 0.3729441 0.3283138 -2.7100439 -0.8567137 0.0910098 -0.4676049 -1.9584497 5 O -1.7224601 -0.7364138 0.3729441 -0.3283138 -2.7100439 0.8567137 0.0910098 0.4676049 -1.9584497 6 O -1.7224601 0.7364138 0.3729441 0.3283138 -2.7100439 -0.8567137 0.0910098 -0.4676049 -1.9584497 7 O -2.4003335 -0.4575447 -0.3697951 -0.4615016 -2.0023422 -0.6783957 -0.3706188 -0.4828580 -2.6212401 8 O -2.4003335 0.4575447 -0.3697951 0.4615016 -2.0023422 0.6783957 -0.3706188 0.4828580 -2.6212401 9 O -2.4003335 -0.4575447 -0.3697951 -0.4615016 -2.0023422 -0.6783957 -0.3706188 -0.4828580 -2.6212401 10 O -2.4003335 0.4575447 -0.3697951 0.4615016 -2.0023422 0.6783957 -0.3706188 0.4828580 -2.6212401 11 O -2.3392942 0.2810746 0.9206391 0.3925050 -2.1848354 -1.0686816 0.5111577 -0.9255823 -2.2246673 12 O -2.3392942 -0.2810746 0.9206391 -0.3925050 -2.1848354 1.0686816 0.5111577 0.9255823 -2.2246673 13 O -3.8574461 0.7462720 0.3973296 0.9768916 -1.9945504 0.2928741 0.7516127 0.0031710 -1.6662193 14 O -3.8574461 -0.7462720 0.3973296 -0.9768916 -1.9945504 -0.2928741 0.7516127 -0.0031710 -1.6662193 15 O -3.8574461 0.7462720 0.3973296 0.9768916 -1.9945504 0.2928741 0.7516127 0.0031710 -1.6662193 16 O -3.8574461 -0.7462720 0.3973296 -0.9768916 -1.9945504 -0.2928741 0.7516127 -0.0031710 -1.6662193 17 O -2.1262188 -0.3539172 -0.0506945 -0.3336722 -2.3390653 -1.2548567 -0.1121870 -0.8871174 -2.0650274 18 O -2.1262188 0.3539172 -0.0506945 0.3336722 -2.3390653 1.2548567 -0.1121870 0.8871174 -2.0650274 19 O -2.1262188 -0.3539172 -0.0506945 -0.3336722 -2.3390653 -1.2548567 -0.1121870 -0.8871174 -2.0650274 20 O -2.1262188 0.3539172 -0.0506945 0.3336722 -2.3390653 1.2548567 -0.1121870 0.8871174 -2.0650274 21 O -2.3392942 -0.2810746 0.9206391 -0.3925050 -2.1848354 1.0686816 0.5111577 0.9255823 -2.2246673 22 O -2.3392942 0.2810746 0.9206391 0.3925050 -2.1848354 -1.0686816 0.5111577 -0.9255823 -2.2246673 23 Te 5.8005304 0.7872383 -0.9661867 0.1602981 3.5393282 -0.6871291 -1.0244823 -0.9509436 3.6820297 24 Te 5.8005304 -0.7872383 -0.9661867 -0.1602981 3.5393282 0.6871291 -1.0244823 0.9509436 3.6820297 25 Te 5.8005304 0.7872383 -0.9661867 0.1602981 3.5393282 -0.6871291 -1.0244823 -0.9509436 3.6820297 26 Te 5.8005304 -0.7872383 -0.9661867 -0.1602981 3.5393282 0.6871291 -1.0244823 0.9509436 3.6820297 27 Te 4.8858028 0.9851506 -0.3497489 0.4908347 4.0996099 -0.6395792 -0.3953171 -0.6436213 3.0308174 28 Te 4.8858028 -0.9851506 -0.3497489 -0.4908347 4.0996099 0.6395792 -0.3953171 0.6436213 3.0308174 29 Te 4.8858028 0.9851506 -0.3497489 0.4908347 4.0996099 -0.6395792 -0.3953171 -0.6436213 3.0308174 30 Te 4.8858028 -0.9851506 -0.3497489 -0.4908347 4.0996099 0.6395792 -0.3953171 0.6436213 3.0308174 31 Tb 4.0252007 0.1258459 -0.4335311 0.0001228 4.4815109 0.2223523 -0.2665130 -0.0990193 4.6659866 32 Tb 4.0252007 -0.1258459 -0.4335311 -0.0001228 4.4815109 -0.2223523 -0.2665130 0.0990193 4.6659866 33 Tb 4.0252007 0.1258459 -0.4335311 0.0001228 4.4815109 0.2223523 -0.2665130 -0.0990193 4.6659866 34 Tb 4.0252007 -0.1258459 -0.4335311 -0.0001228 4.4815109 -0.2223523 -0.2665130 0.0990193 4.6659866 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000000 (zxz) -0.00000000 (zxz) -0.00000000 (zzx) Max drift of fc2: 0.00000000 (xx) 0.00000000 (xx) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 11 11 3 ] 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: 0.53, Number of G-points: 311, Lambda: 0.12 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/102) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 102 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 1.109 ( 0.000 0.000 0.000) 0.000 1.251 ( 0.000 0.000 0.000) 0.000 1.700 ( 0.000 0.000 0.000) 0.000 1.782 ( 0.000 0.000 0.000) 0.000 2.187 ( 0.000 0.000 0.000) 0.000 2.197 ( 0.000 0.000 0.000) 0.000 2.435 ( 0.000 0.000 0.000) 0.000 2.617 ( 0.000 0.000 0.000) 0.000 2.796 ( 0.000 0.000 0.000) 0.000 2.968 ( 0.000 0.000 0.000) 0.000 3.095 ( 0.000 0.000 0.000) 0.000 3.134 ( 0.000 0.000 0.000) 0.000 3.367 ( 0.000 0.000 0.000) 0.000 3.466 ( 0.000 0.000 0.000) 0.000 3.480 ( 0.000 0.000 0.000) 0.000 3.488 ( 0.000 0.000 0.000) 0.000 3.620 ( 0.000 0.000 0.000) 0.000 3.700 ( 0.000 0.000 0.000) 0.000 3.898 ( 0.000 0.000 0.000) 0.000 3.936 ( 0.000 0.000 0.000) 0.000 3.987 ( 0.000 0.000 0.000) 0.000 4.206 ( 0.000 0.000 0.000) 0.000 4.444 ( 0.000 0.000 0.000) 0.000 4.576 ( 0.000 0.000 0.000) 0.000 4.669 ( 0.000 0.000 0.000) 0.000 4.689 ( 0.000 0.000 0.000) 0.000 4.829 ( 0.000 0.000 0.000) 0.000 4.869 ( 0.000 0.000 0.000) 0.000 4.920 ( 0.000 0.000 0.000) 0.000 5.004 ( 0.000 0.000 0.000) 0.000 5.151 ( 0.000 0.000 0.000) 0.000 5.162 ( 0.000 0.000 0.000) 0.000 5.401 ( 0.000 0.000 0.000) 0.000 5.466 ( 0.000 0.000 0.000) 0.000 5.542 ( 0.000 0.000 0.000) 0.000 5.630 ( 0.000 0.000 0.000) 0.000 5.666 ( 0.000 0.000 0.000) 0.000 5.897 ( 0.000 0.000 0.000) 0.000 5.936 ( 0.000 0.000 0.000) 0.000 6.110 ( 0.000 0.000 0.000) 0.000 6.221 ( 0.000 0.000 0.000) 0.000 6.626 ( 0.000 0.000 0.000) 0.000 6.675 ( 0.000 0.000 0.000) 0.000 6.921 ( 0.000 0.000 0.000) 0.000 6.924 ( 0.000 0.000 0.000) 0.000 6.998 ( 0.000 0.000 0.000) 0.000 7.360 ( 0.000 0.000 0.000) 0.000 7.601 ( 0.000 0.000 0.000) 0.000 7.938 ( 0.000 0.000 0.000) 0.000 8.136 ( 0.000 0.000 0.000) 0.000 8.371 ( 0.000 0.000 0.000) 0.000 8.474 ( 0.000 0.000 0.000) 0.000 8.808 ( 0.000 0.000 0.000) 0.000 8.945 ( 0.000 0.000 0.000) 0.000 8.986 ( 0.000 0.000 0.000) 0.000 9.142 ( 0.000 0.000 0.000) 0.000 9.348 ( 0.000 0.000 0.000) 0.000 9.619 ( 0.000 0.000 0.000) 0.000 9.698 ( 0.000 0.000 0.000) 0.000 10.378 ( 0.000 0.000 0.000) 0.000 10.691 ( 0.000 0.000 0.000) 0.000 10.707 ( 0.000 0.000 0.000) 0.000 10.734 ( 0.000 0.000 0.000) 0.000 10.869 ( 0.000 0.000 0.000) 0.000 10.889 ( 0.000 0.000 0.000) 0.000 10.893 ( 0.000 0.000 0.000) 0.000 11.166 ( 0.000 0.000 0.000) 0.000 11.304 ( 0.000 0.000 0.000) 0.000 11.407 ( 0.000 0.000 0.000) 0.000 12.273 ( 0.000 0.000 0.000) 0.000 12.308 ( 0.000 0.000 0.000) 0.000 12.337 ( 0.000 0.000 0.000) 0.000 12.449 ( 0.000 0.000 0.000) 0.000 12.992 ( 0.000 0.000 0.000) 0.000 13.009 ( 0.000 0.000 0.000) 0.000 13.892 ( 0.000 0.000 0.000) 0.000 13.909 ( 0.000 0.000 0.000) 0.000 15.844 ( 0.000 0.000 0.000) 0.000 16.262 ( 0.000 0.000 0.000) 0.000 17.371 ( 0.000 0.000 0.000) 0.000 17.429 ( 0.000 0.000 0.000) 0.000 17.532 ( 0.000 0.000 0.000) 0.000 17.910 ( 0.000 0.000 0.000) 0.000 19.196 ( 0.000 0.000 0.000) 0.000 19.572 ( 0.000 0.000 0.000) 0.000 19.624 ( 0.000 0.000 0.000) 0.000 19.709 ( 0.000 0.000 0.000) 0.000 19.947 ( 0.000 0.000 0.000) 0.000 20.141 ( 0.000 0.000 0.000) 0.000 20.558 ( 0.000 0.000 0.000) 0.000 20.585 ( 0.000 0.000 0.000) 0.000 21.614 ( 0.000 0.000 0.000) 0.000 21.885 ( 0.000 0.000 0.000) 0.000 21.895 ( 0.000 0.000 0.000) 0.000 22.385 ( 0.000 0.000 0.000) 0.000 22.444 ( 0.000 0.000 0.000) 0.000 22.898 ( 0.000 0.000 0.000) 0.000 23.031 ( 0.000 0.000 0.000) 0.000 23.090 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/102) ======================= q-point: ( 0.09 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.361 ( 13.536 -15.740 -1.724) 20.831 0.548 ( 4.642 -27.062 7.645) 28.501 0.794 ( 24.708 -32.714 -2.552) 41.075 1.245 ( -3.102 -0.770 -0.029) 3.196 1.262 ( 5.616 -12.045 -6.998) 15.019 1.719 ( 3.690 4.755 -3.257) 6.843 1.773 ( 6.926 -3.168 11.747) 14.000 2.108 ( 11.591 7.097 -7.219) 15.390 2.398 ( 1.487 -11.555 -2.551) 11.926 2.554 ( 2.069 -9.416 0.158) 9.642 2.672 ( 1.670 -5.181 1.509) 5.649 2.791 ( -0.852 4.592 -1.803) 5.006 2.870 ( 3.219 0.557 -0.216) 3.274 3.072 ( -2.518 4.727 0.099) 5.357 3.263 ( 10.025 -0.507 -5.743) 11.565 3.315 ( 2.721 3.290 -2.075) 4.747 3.429 ( -2.286 3.381 0.876) 4.174 3.472 ( -4.149 -1.025 2.835) 5.128 3.550 ( 1.961 -2.089 -0.343) 2.886 3.658 ( 1.173 -2.710 -1.610) 3.363 3.848 ( -2.267 1.790 -4.734) 5.546 3.878 ( -2.274 -0.260 3.912) 4.533 3.949 ( -3.069 -1.804 0.136) 3.562 4.035 ( -7.508 -5.449 -0.723) 9.305 4.187 ( -1.758 1.820 3.230) 4.103 4.461 ( -3.853 5.165 5.738) 8.628 4.481 ( 10.151 9.513 -6.895) 15.526 4.632 ( 0.338 1.187 -2.605) 2.883 4.676 ( 5.277 6.655 -1.874) 8.698 4.796 ( 2.792 5.299 0.010) 5.989 4.823 ( -6.983 -0.039 1.478) 7.138 5.034 ( -0.464 -1.501 -1.867) 2.440 5.102 ( 1.382 0.631 -1.085) 1.867 5.177 ( -5.666 -2.642 -2.883) 6.885 5.237 ( -2.513 -2.375 0.742) 3.537 5.418 ( 3.110 -1.810 -5.366) 6.461 5.457 ( -6.312 -2.166 -0.725) 6.713 5.595 ( -6.876 -0.042 2.317) 7.256 5.659 ( -3.439 -2.100 1.175) 4.197 5.804 ( 15.284 10.473 -4.108) 18.978 5.939 ( 14.484 4.769 5.370) 16.167 5.996 ( 1.334 -5.476 -1.514) 5.836 6.107 ( 0.101 0.558 -0.309) 0.646 6.360 ( 9.259 2.096 1.616) 9.629 6.605 ( -2.628 2.668 2.601) 4.559 6.684 ( 2.481 -0.563 -3.852) 4.616 6.918 ( 0.615 -1.188 1.331) 1.887 7.004 ( 3.729 0.558 1.465) 4.045 7.248 ( -6.878 -7.969 1.048) 10.579 7.638 ( 5.607 -1.918 -1.446) 6.100 7.664 ( 34.382 18.061 -10.115) 40.133 8.035 ( 3.944 1.203 -13.836) 14.437 8.180 ( 1.423 2.481 19.588) 19.796 8.310 ( -4.590 8.305 9.157) 13.187 8.482 ( 6.818 3.692 -7.289) 10.642 8.867 ( 0.472 -4.211 5.704) 7.106 8.906 ( -6.332 1.654 1.511) 6.717 9.071 ( 0.238 2.240 -2.370) 3.270 9.121 ( 8.590 -4.492 -6.781) 11.830 9.449 ( 23.611 8.269 -16.301) 29.859 9.639 ( -1.789 -0.339 7.960) 8.166 9.704 ( 9.519 1.935 -7.252) 12.122 10.330 ( 0.399 4.425 0.221) 4.448 10.613 ( -6.689 8.373 0.706) 10.740 10.669 ( -1.261 2.288 0.805) 2.733 10.803 ( -5.340 -0.436 6.218) 8.207 10.855 ( -0.629 0.791 -3.628) 3.767 10.958 ( -3.241 -2.315 -5.761) 7.004 11.071 ( 6.423 -5.390 2.475) 8.743 11.307 ( 2.490 0.949 0.730) 2.763 11.460 ( 8.973 -0.923 1.671) 9.174 11.523 ( -6.997 -4.767 -11.428) 14.222 12.261 ( -3.913 0.830 2.710) 4.832 12.313 ( 0.575 0.877 -0.429) 1.133 12.383 ( 14.473 6.108 2.515) 15.909 12.493 ( 9.009 8.500 1.617) 12.491 12.979 ( -0.278 1.123 -0.174) 1.170 13.015 ( -0.535 -0.842 0.240) 1.026 13.864 ( 0.003 3.257 -0.067) 3.257 14.015 ( -5.725 1.723 0.169) 5.981 15.917 ( 20.562 6.718 -14.937) 26.288 16.246 ( 2.181 3.292 4.361) 5.883 17.426 ( -0.687 -5.335 1.806) 5.674 17.578 ( 1.998 -4.196 -1.008) 4.755 17.845 ( -14.088 -0.884 -0.367) 14.120 18.416 ( 19.915 3.736 -6.818) 21.379 19.197 ( -1.904 3.413 7.719) 8.652 19.468 ( 12.142 13.683 1.099) 18.326 19.610 ( -2.021 9.022 -1.080) 9.309 19.781 ( 3.475 9.440 1.798) 10.219 20.081 ( -17.932 -16.015 3.783) 24.338 20.456 ( -4.562 8.845 1.106) 10.013 20.621 ( 15.204 -0.053 -3.081) 15.514 20.794 ( 13.169 -6.850 -8.238) 16.976 21.679 ( 0.628 -5.929 4.100) 7.236 21.886 ( 0.761 -0.172 -0.514) 0.934 22.373 ( 0.122 1.513 -0.211) 1.532 22.456 ( 0.039 -1.437 0.449) 1.506 22.762 ( -3.897 -0.555 0.095) 3.938 23.052 ( -1.523 -2.700 -0.710) 3.180 23.118 ( -1.524 -3.456 0.738) 3.849 23.538 ( -31.069 -12.144 -8.184) 34.348 ======================= Grid point 2 (3/102) ======================= q-point: ( 0.18 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.753 ( 12.527 -17.546 -1.703) 21.626 1.031 ( 2.408 -17.180 9.989) 20.018 1.159 ( 6.313 -1.488 -1.064) 6.572 1.513 ( 7.673 -18.552 -3.292) 20.344 1.583 ( 14.256 -22.814 -6.198) 27.606 1.751 ( 7.366 -5.795 -7.475) 11.988 1.946 ( 10.678 -5.707 14.288) 18.728 2.097 ( 9.590 0.904 -4.545) 10.651 2.562 ( -1.630 -5.737 -4.044) 7.206 2.726 ( 5.815 -5.117 0.970) 7.806 2.753 ( -0.157 -3.096 0.357) 3.121 2.821 ( -0.351 -8.716 5.029) 10.068 2.918 ( -0.952 3.666 1.021) 3.923 2.960 ( 5.414 0.031 -2.515) 5.970 3.257 ( -0.694 0.580 -2.617) 2.769 3.312 ( -0.303 0.327 -1.488) 1.553 3.366 ( 1.074 2.356 -0.798) 2.710 3.454 ( -5.135 0.893 4.099) 6.631 3.573 ( 3.892 1.942 -0.966) 4.456 3.694 ( -3.000 -1.978 -2.909) 4.623 3.782 ( -2.259 2.181 -0.185) 3.146 3.864 ( -1.413 1.492 -0.064) 2.056 3.952 ( -2.630 -1.464 -0.512) 3.053 4.043 ( -9.342 -1.904 0.385) 9.542 4.119 ( -3.365 5.227 5.555) 8.337 4.299 ( -2.571 7.263 -0.740) 7.740 4.426 ( 3.641 5.902 1.227) 7.043 4.548 ( 4.391 4.753 -3.732) 7.470 4.659 ( 3.161 -0.497 -2.002) 3.775 4.739 ( 2.834 2.942 0.366) 4.101 4.779 ( -6.948 -1.105 0.677) 7.068 5.016 ( 1.177 2.506 -0.074) 2.770 5.127 ( 1.323 -0.577 -5.024) 5.228 5.183 ( -5.419 -4.019 4.253) 7.975 5.252 ( -2.963 -0.691 -0.250) 3.053 5.425 ( -4.044 -1.101 0.652) 4.242 5.473 ( -4.319 0.064 -3.080) 5.305 5.541 ( -3.920 -2.908 -2.260) 5.379 5.662 ( -5.825 -0.443 4.055) 7.111 5.745 ( 5.257 3.343 0.700) 6.269 6.003 ( 10.036 -0.409 0.918) 10.086 6.087 ( 3.254 -1.311 -0.952) 3.636 6.115 ( -0.312 -3.614 0.398) 3.649 6.391 ( 9.369 2.829 1.171) 9.856 6.513 ( -6.249 3.259 2.964) 7.646 6.727 ( 6.941 -1.115 -4.632) 8.418 6.965 ( 3.500 -0.928 2.651) 4.488 7.033 ( 9.101 2.517 1.355) 9.539 7.311 ( 5.552 0.426 -0.179) 5.571 7.532 ( 15.105 14.250 -5.553) 21.496 7.748 ( 7.067 -3.851 0.008) 8.048 8.012 ( -1.005 0.230 -4.326) 4.447 8.135 ( -2.617 6.099 2.982) 7.276 8.234 ( 4.213 0.371 6.075) 7.403 8.424 ( 2.121 4.110 -7.065) 8.444 8.771 ( -7.266 6.608 1.949) 10.013 8.942 ( -4.132 -3.557 4.618) 7.146 9.062 ( 3.997 1.470 -1.030) 4.382 9.246 ( 3.921 -4.622 -3.960) 7.240 9.411 ( 1.738 4.071 -2.370) 5.021 9.645 ( 0.915 1.481 4.036) 4.395 9.750 ( 8.166 -1.168 -5.690) 10.022 10.267 ( 0.757 3.126 -0.011) 3.216 10.408 ( -3.646 7.839 1.983) 8.870 10.638 ( -1.202 0.337 1.313) 1.811 10.785 ( -3.787 -0.120 3.494) 5.154 10.846 ( -3.375 -1.761 -2.843) 4.751 10.951 ( -1.579 -0.733 -4.076) 4.432 11.177 ( 6.016 -0.808 0.375) 6.082 11.311 ( 3.982 1.553 1.148) 4.425 11.514 ( 2.534 0.726 0.155) 2.640 11.552 ( 4.045 -0.710 0.250) 4.114 12.206 ( -2.889 2.547 0.988) 3.976 12.297 ( -2.002 1.592 -1.036) 2.760 12.391 ( 6.579 1.684 0.220) 6.794 12.400 ( 9.598 8.487 0.436) 12.819 12.959 ( -0.675 0.325 -0.305) 0.809 13.028 ( -1.299 -1.349 0.172) 1.880 13.776 ( -0.249 6.379 0.198) 6.387 13.916 ( -5.199 4.680 0.270) 7.001 15.918 ( 9.172 2.884 -6.069) 11.370 16.198 ( 1.504 4.459 4.401) 6.443 17.537 ( -5.572 -7.794 2.441) 9.887 17.690 ( 1.954 -6.457 -1.343) 6.879 17.799 ( -6.110 -3.907 -1.326) 7.373 18.438 ( 16.751 7.893 -3.829) 18.909 19.092 ( -8.166 6.046 2.443) 10.450 19.299 ( 5.994 14.388 0.698) 15.603 19.404 ( 4.584 11.205 1.879) 12.251 19.618 ( 3.527 10.455 -2.403) 11.292 20.192 ( -7.038 -0.714 1.672) 7.269 20.237 ( -13.405 3.314 1.574) 13.898 20.766 ( 8.768 -5.320 -0.101) 10.256 21.054 ( 13.384 -12.051 -4.537) 18.572 21.829 ( 1.397 -8.247 3.928) 9.241 21.912 ( 1.201 -2.240 -1.503) 2.952 22.328 ( -0.255 3.383 -0.721) 3.469 22.504 ( 0.272 -3.715 1.585) 4.048 22.722 ( -3.030 2.091 -0.521) 3.718 23.088 ( -2.459 -2.824 -1.273) 3.955 23.178 ( -2.668 -4.330 1.511) 5.306 23.497 ( -16.089 -4.367 -3.148) 16.966 ======================= Grid point 3 (4/102) ======================= q-point: ( 0.27 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.140 ( 10.237 -14.126 -1.549) 17.514 1.151 ( 7.134 -7.124 2.191) 10.317 1.471 ( 7.046 -12.729 3.313) 14.921 1.672 ( 1.421 -6.957 -5.100) 8.742 1.967 ( 8.011 -10.649 -2.315) 13.526 2.059 ( 5.358 -11.897 0.087) 13.048 2.204 ( 10.813 -12.207 6.026) 17.385 2.269 ( 15.667 -12.696 -4.407) 20.641 2.593 ( -3.032 3.037 -0.828) 4.370 2.666 ( 2.064 4.190 1.236) 4.831 2.836 ( -1.236 -1.028 3.161) 3.547 2.938 ( -0.588 -4.620 0.920) 4.747 2.997 ( 1.704 -7.774 -0.427) 7.970 3.012 ( 8.804 0.562 -1.950) 9.035 3.261 ( -2.327 -2.841 -3.237) 4.895 3.306 ( -3.834 -2.113 0.454) 4.401 3.345 ( -0.511 1.178 -0.238) 1.306 3.376 ( -4.719 2.956 3.130) 6.388 3.540 ( 3.480 3.993 -1.709) 5.566 3.674 ( -3.375 1.287 -2.226) 4.243 3.736 ( -2.835 1.552 2.149) 3.882 3.819 ( -3.459 0.281 -2.377) 4.206 3.944 ( -2.612 3.540 4.258) 6.122 3.990 ( -6.671 0.242 -0.570) 6.700 4.017 ( 0.213 1.611 4.076) 4.388 4.192 ( 0.139 3.323 -2.340) 4.067 4.309 ( -2.824 4.478 -1.967) 5.648 4.553 ( 3.904 1.354 -0.042) 4.132 4.672 ( 3.442 2.043 0.346) 4.018 4.723 ( -1.337 -0.633 -1.921) 2.425 4.807 ( 0.253 -4.344 0.389) 4.369 4.974 ( 2.064 3.551 0.714) 4.169 5.121 ( -11.676 -1.998 3.971) 12.494 5.180 ( -0.012 -0.291 -1.004) 1.045 5.248 ( -2.887 0.286 -4.702) 5.525 5.404 ( -6.911 -1.300 -2.187) 7.364 5.461 ( 1.857 -3.390 1.222) 4.054 5.606 ( -6.843 1.970 3.854) 8.097 5.607 ( 1.623 -3.670 -2.778) 4.881 5.762 ( 2.470 -1.470 1.209) 3.118 6.030 ( -0.103 1.871 0.865) 2.063 6.180 ( 11.135 -2.877 1.515) 11.600 6.196 ( 1.343 -4.566 -0.618) 4.800 6.385 ( 1.699 2.854 0.083) 3.322 6.459 ( 4.223 1.039 0.798) 4.421 6.795 ( 7.292 -1.065 -2.712) 7.853 6.979 ( 5.945 4.818 0.838) 7.698 7.070 ( 6.618 -0.731 3.584) 7.562 7.314 ( 12.690 7.426 -3.061) 15.019 7.388 ( 2.455 6.695 -1.765) 7.346 7.846 ( 7.801 -0.241 -0.378) 7.814 7.993 ( -3.179 -0.957 -2.276) 4.025 8.050 ( 0.309 2.551 3.195) 4.100 8.248 ( 4.337 3.665 0.449) 5.696 8.350 ( 1.471 5.212 -3.278) 6.331 8.627 ( -6.713 2.880 2.067) 7.591 8.943 ( -7.017 -0.572 1.163) 7.136 9.034 ( -0.572 2.493 0.468) 2.600 9.299 ( -3.242 2.075 -3.842) 5.439 9.352 ( 3.222 0.704 2.240) 3.987 9.593 ( -4.050 3.501 1.205) 5.488 9.816 ( 5.631 -0.510 -3.505) 6.652 10.198 ( -2.017 2.389 1.928) 3.673 10.389 ( 4.519 -3.662 -0.254) 5.822 10.650 ( 0.313 -1.708 1.380) 2.218 10.772 ( -3.487 -1.008 2.824) 4.598 10.840 ( -1.654 -0.569 -5.715) 5.977 10.962 ( 0.981 -1.390 0.405) 1.749 11.212 ( 5.377 1.086 -0.278) 5.492 11.304 ( 4.574 3.259 0.726) 5.663 11.492 ( 3.714 4.853 0.969) 6.187 11.554 ( -0.698 2.037 0.552) 2.223 12.134 ( -2.291 3.396 0.351) 4.112 12.211 ( -0.204 5.980 -0.158) 5.985 12.363 ( 5.544 1.823 -0.600) 5.867 12.425 ( 4.928 0.093 0.291) 4.937 12.967 ( -0.123 -1.865 -0.102) 1.871 13.049 ( -1.415 -2.305 -0.184) 2.711 13.639 ( -1.105 8.429 0.718) 8.531 13.785 ( -5.004 5.450 -0.210) 7.402 15.923 ( 5.302 1.486 -3.065) 6.302 16.135 ( -0.114 3.951 2.828) 4.860 17.591 ( -9.149 -4.322 1.228) 10.193 17.825 ( 1.997 -7.405 -1.996) 7.925 17.898 ( 0.934 -8.076 0.340) 8.137 18.383 ( 12.052 8.964 -0.681) 15.036 18.855 ( -8.480 12.578 -0.224) 15.171 19.113 ( 2.391 8.514 0.389) 8.852 19.296 ( 5.348 7.646 2.820) 9.747 19.468 ( 2.835 7.738 -3.032) 8.781 19.960 ( -5.596 11.742 0.153) 13.008 20.233 ( -7.605 -2.550 0.881) 8.069 20.913 ( 3.644 -5.684 0.502) 6.770 21.357 ( 10.832 -11.629 -1.762) 15.989 21.971 ( 1.601 -3.998 -1.829) 4.679 21.986 ( 1.147 -6.219 2.886) 6.951 22.251 ( -0.764 4.436 -0.791) 4.570 22.587 ( -2.988 -3.447 8.772) 9.887 22.656 ( 1.182 1.389 -7.796) 8.007 23.099 ( -2.951 -0.736 -0.457) 3.075 23.233 ( -2.250 -3.556 0.710) 4.268 23.446 ( -10.676 -1.725 -1.143) 10.874 ======================= Grid point 4 (5/102) ======================= q-point: ( 0.36 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.390 ( 8.369 -12.959 -2.493) 15.627 1.408 ( 5.992 -6.566 -3.320) 9.489 1.659 ( 5.822 -8.041 0.138) 9.928 1.868 ( 4.523 -9.282 3.144) 10.793 2.195 ( 5.913 -8.926 0.656) 10.727 2.208 ( -2.768 -5.337 3.055) 6.744 2.406 ( 1.175 10.142 0.174) 10.211 2.496 ( 2.774 -9.314 0.617) 9.738 2.571 ( 11.595 -7.984 -0.102) 14.079 2.723 ( 7.032 -2.111 -6.323) 9.690 2.804 ( -3.024 1.715 3.228) 4.744 2.947 ( -5.024 0.344 1.086) 5.151 3.023 ( -0.111 -1.972 0.123) 1.979 3.165 ( 2.911 -4.601 -4.487) 7.055 3.226 ( -1.750 2.378 2.599) 3.933 3.319 ( -2.211 2.484 -0.643) 3.387 3.329 ( 0.741 0.840 1.287) 1.706 3.365 ( -2.613 -4.316 0.746) 5.100 3.499 ( 3.051 2.020 -0.151) 3.663 3.597 ( -2.275 1.713 -2.073) 3.523 3.688 ( -1.725 2.483 1.790) 3.513 3.805 ( -2.493 -0.140 -0.947) 2.670 3.847 ( -0.531 3.530 2.640) 4.440 3.964 ( -4.817 -2.173 1.270) 5.434 4.061 ( 2.921 -1.851 -0.764) 3.541 4.167 ( 3.336 0.324 -0.792) 3.444 4.263 ( -3.717 -2.400 -4.805) 6.531 4.505 ( -1.282 4.890 1.502) 5.273 4.635 ( -4.270 1.907 3.657) 5.937 4.754 ( 4.309 -1.521 -1.434) 4.789 4.874 ( 2.812 -0.209 -1.887) 3.392 4.926 ( -0.939 1.353 4.630) 4.915 5.080 ( -8.849 -2.057 -1.520) 9.212 5.179 ( -5.924 1.873 -2.598) 6.734 5.206 ( 2.188 -0.988 0.224) 2.411 5.403 ( -2.858 -2.995 -0.768) 4.210 5.513 ( -6.206 2.455 4.735) 8.183 5.564 ( 4.216 -3.723 -4.162) 6.997 5.671 ( -0.131 -2.954 -0.166) 2.961 5.817 ( 0.826 -2.394 -0.617) 2.606 5.964 ( -2.509 4.354 2.920) 5.812 6.249 ( 1.054 -1.722 0.835) 2.185 6.345 ( 12.043 -3.165 -0.550) 12.464 6.379 ( 2.576 -1.701 -1.378) 3.381 6.529 ( 8.173 -3.807 -0.463) 9.028 6.816 ( 1.904 4.799 1.163) 5.292 6.936 ( 6.778 2.297 -0.815) 7.203 7.144 ( 1.233 0.072 5.668) 5.801 7.220 ( 7.543 6.068 -6.369) 11.588 7.344 ( 4.061 2.688 0.667) 4.916 7.868 ( 2.532 0.992 -1.024) 2.906 8.008 ( 0.823 -1.743 -1.734) 2.593 8.049 ( 1.475 -0.289 3.234) 3.566 8.194 ( 3.780 4.418 -2.650) 6.390 8.214 ( -0.244 9.031 -1.109) 9.102 8.577 ( -5.809 0.517 6.215) 8.522 8.875 ( -4.442 2.003 -4.550) 6.667 8.998 ( -3.597 -0.353 1.196) 3.807 9.174 ( -8.402 4.660 1.266) 9.691 9.365 ( 4.768 3.053 -1.680) 5.906 9.517 ( -5.414 -0.194 0.444) 5.436 9.823 ( 2.844 2.216 -0.166) 3.609 10.192 ( -0.348 -1.570 0.117) 1.612 10.523 ( 5.275 -5.757 -0.874) 7.857 10.702 ( 1.585 -2.820 1.348) 3.504 10.795 ( -2.838 -3.620 1.215) 4.757 10.823 ( 0.373 0.402 -3.444) 3.487 11.012 ( 1.590 -2.720 1.686) 3.573 11.223 ( 2.624 1.165 0.069) 2.872 11.269 ( 4.858 4.465 0.335) 6.607 11.389 ( 0.660 8.039 -0.161) 8.068 11.496 ( -1.225 3.235 -0.125) 3.462 12.061 ( -1.649 2.931 0.497) 3.400 12.111 ( 1.121 5.228 0.353) 5.358 12.393 ( 3.204 -1.177 -1.010) 3.560 12.452 ( 2.197 0.011 0.351) 2.225 13.024 ( 1.418 -3.812 0.337) 4.082 13.094 ( -0.642 -3.706 -0.739) 3.834 13.471 ( -2.534 8.775 0.997) 9.188 13.656 ( -3.685 5.086 -0.463) 6.298 15.929 ( 3.167 0.790 -1.706) 3.683 16.074 ( -1.100 2.727 1.646) 3.370 17.592 ( -5.582 -2.124 0.335) 5.982 17.945 ( -0.141 -5.139 -2.771) 5.840 18.061 ( -0.047 -8.895 1.651) 9.047 18.320 ( 9.572 6.594 2.415) 11.871 18.587 ( -5.856 10.071 -2.624) 11.942 19.018 ( 2.458 4.754 2.923) 6.098 19.193 ( 1.907 6.836 -2.089) 7.398 19.386 ( 2.864 3.694 -0.314) 4.685 19.737 ( -4.926 8.449 0.116) 9.780 20.210 ( -3.694 0.238 0.024) 3.701 21.022 ( 1.862 -4.067 0.447) 4.496 21.604 ( 6.937 -8.891 -0.286) 11.281 22.039 ( 0.597 -2.007 -1.902) 2.829 22.072 ( 0.836 -1.893 0.466) 2.121 22.177 ( -0.562 1.931 0.251) 2.027 22.535 ( -4.129 3.701 4.654) 7.239 22.745 ( 3.645 -6.453 -3.731) 8.297 23.068 ( -3.096 1.652 0.381) 3.530 23.273 ( -0.845 -2.181 -0.007) 2.339 23.400 ( -6.985 -0.676 -0.232) 7.021 ======================= Grid point 5 (6/102) ======================= q-point: ( 0.45 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.462 ( 2.672 0.014 -2.678) 3.784 1.667 ( 3.290 -9.202 -1.985) 9.972 1.875 ( 2.729 -11.318 -0.104) 11.643 2.010 ( 3.568 -0.158 4.519) 5.760 2.198 ( -0.111 4.483 2.754) 5.263 2.231 ( -2.437 4.609 -1.702) 5.484 2.372 ( 2.026 -4.211 0.736) 4.731 2.571 ( -0.809 -1.271 0.140) 1.513 2.711 ( 1.647 2.528 -3.641) 4.729 2.749 ( -2.439 -0.669 -0.010) 2.529 2.856 ( 8.391 -8.351 0.582) 11.853 2.956 ( -1.253 -4.030 0.687) 4.276 3.056 ( -2.954 -0.715 0.573) 3.093 3.173 ( 1.445 0.752 -2.203) 2.740 3.189 ( -1.747 7.206 1.610) 7.588 3.246 ( -3.228 2.056 2.459) 4.549 3.248 ( 1.442 2.655 -1.821) 3.528 3.403 ( -0.901 -1.251 0.625) 1.663 3.557 ( 2.740 -3.803 -0.839) 4.761 3.614 ( -2.315 -1.582 1.333) 3.104 3.644 ( 4.122 0.724 -3.397) 5.390 3.726 ( -3.953 3.850 3.783) 6.690 3.883 ( 4.100 -1.754 -3.219) 5.499 3.973 ( -4.582 -2.064 2.132) 5.459 4.101 ( -0.109 -2.014 -1.162) 2.327 4.187 ( 3.892 1.977 -0.000) 4.365 4.300 ( 1.275 -3.661 -4.320) 5.805 4.392 ( -5.846 4.247 2.922) 7.795 4.589 ( -2.129 0.846 2.831) 3.642 4.801 ( 0.467 -0.752 1.422) 1.675 4.862 ( 5.359 1.563 -3.654) 6.672 4.952 ( -0.993 -1.843 4.392) 4.866 5.048 ( -4.453 -0.817 -2.368) 5.109 5.094 ( -4.023 2.292 -1.719) 4.939 5.250 ( 3.628 -1.313 -0.327) 3.872 5.389 ( -3.394 2.521 2.487) 4.905 5.505 ( -1.723 -3.998 0.046) 4.354 5.611 ( 1.755 0.679 -2.374) 3.029 5.725 ( 0.634 -3.147 1.228) 3.437 5.810 ( -1.892 2.493 -1.571) 3.502 5.908 ( -0.143 0.559 1.680) 1.776 6.274 ( 0.623 -0.345 0.268) 0.761 6.440 ( 5.028 -0.553 -0.516) 5.085 6.468 ( 3.030 -4.779 -1.281) 5.802 6.692 ( -1.040 6.704 1.302) 6.908 6.698 ( 6.138 -6.492 0.116) 8.935 6.971 ( 2.683 -0.681 -1.045) 2.959 7.032 ( -2.391 7.109 1.247) 7.603 7.257 ( 0.971 -2.210 -0.923) 2.585 7.336 ( 3.478 1.602 0.673) 3.888 7.870 ( 0.323 -0.225 -0.507) 0.642 8.035 ( -4.806 -2.677 0.993) 5.590 8.069 ( 6.180 5.408 -4.429) 9.330 8.086 ( 0.747 0.622 3.679) 3.805 8.159 ( 2.404 1.414 -2.224) 3.568 8.514 ( -4.742 2.230 5.013) 7.252 8.828 ( -0.547 -0.054 -4.331) 4.366 8.990 ( -1.892 -0.312 0.634) 2.019 9.056 ( -4.470 2.292 1.316) 5.193 9.334 ( 0.976 1.549 -0.679) 1.953 9.508 ( -1.326 -0.627 -0.042) 1.467 9.803 ( 0.821 1.170 0.551) 1.532 10.218 ( 0.090 -0.966 -0.478) 1.081 10.619 ( 2.384 -1.554 -0.451) 2.881 10.771 ( 1.210 -2.577 1.243) 3.107 10.804 ( -0.909 -0.273 -3.226) 3.363 10.865 ( -0.098 -2.883 2.512) 3.825 11.076 ( 1.354 -2.207 0.523) 2.641 11.203 ( -3.193 0.373 0.443) 3.245 11.227 ( 6.645 5.122 -0.573) 8.409 11.265 ( -2.645 2.950 -0.039) 3.962 11.438 ( 0.447 2.170 -0.367) 2.246 12.017 ( -0.615 1.097 0.304) 1.294 12.052 ( 0.468 1.939 0.112) 1.998 12.432 ( 1.489 -1.040 -0.612) 1.916 12.459 ( 0.211 0.289 0.341) 0.494 13.105 ( 1.390 -2.752 0.343) 3.102 13.171 ( 1.159 -5.282 -0.975) 5.495 13.305 ( -2.938 7.577 0.900) 8.177 13.561 ( -1.526 2.603 -0.224) 3.026 15.934 ( 1.190 0.260 -0.654) 1.382 16.035 ( -0.712 0.999 0.638) 1.383 17.590 ( -1.754 -0.680 0.067) 1.882 17.990 ( -0.839 -1.334 -1.525) 2.193 18.196 ( -1.170 -5.435 1.092) 5.666 18.306 ( 5.964 2.479 4.390) 7.809 18.414 ( -3.033 4.478 -4.574) 7.083 18.992 ( 1.441 0.853 3.653) 4.019 19.092 ( 0.329 3.838 -3.496) 5.202 19.361 ( 1.224 1.078 0.300) 1.658 19.605 ( -2.204 3.023 0.042) 3.742 20.183 ( -1.197 0.403 -0.093) 1.267 21.082 ( 0.650 -1.504 0.187) 1.649 21.770 ( 3.031 -4.970 0.323) 5.830 21.997 ( -1.111 3.325 -0.690) 3.573 22.115 ( 0.782 -1.607 -1.103) 2.100 22.176 ( -0.036 -0.476 0.547) 0.726 22.466 ( -1.586 1.824 1.745) 2.981 22.872 ( 2.814 -5.052 -1.689) 6.024 23.001 ( -2.656 3.179 0.849) 4.229 23.297 ( 0.114 -0.688 -0.118) 0.708 23.371 ( -2.764 -0.215 0.037) 2.772 ======================= Grid point 12 (7/102) ======================= q-point: ( 0.09 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 102 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.322 ( 22.537 -0.000 -1.306) 22.575 0.400 ( 26.353 -0.000 1.452) 26.393 0.767 ( 50.000 -0.000 3.322) 50.110 1.170 ( 7.539 -0.000 -0.921) 7.595 1.211 ( 2.039 -0.000 -12.945) 13.105 1.797 ( 2.947 -0.000 10.579) 10.982 1.869 ( 13.410 -0.000 6.584) 14.939 2.295 ( 11.690 -0.000 -0.343) 11.695 2.310 ( 4.460 -0.000 -13.067) 13.807 2.473 ( 4.084 -0.000 -0.376) 4.101 2.660 ( 4.378 -0.000 3.829) 5.816 2.772 ( -2.863 0.000 -2.866) 4.051 2.953 ( -0.314 0.000 -0.187) 0.365 3.066 ( -7.572 0.000 -2.042) 7.842 3.326 ( 1.524 -0.000 -4.273) 4.537 3.395 ( -7.891 0.000 3.222) 8.523 3.397 ( 3.994 -0.000 -7.352) 8.367 3.467 ( -2.218 0.000 4.197) 4.747 3.529 ( 2.979 -0.000 0.766) 3.076 3.708 ( 4.253 -0.000 -5.736) 7.141 3.715 ( 2.851 -0.000 -3.866) 4.804 3.861 ( -3.750 0.000 0.333) 3.764 3.914 ( -2.954 0.000 1.179) 3.181 4.001 ( 1.267 -0.000 -0.091) 1.270 4.189 ( -2.813 0.000 4.182) 5.041 4.484 ( -8.522 0.000 4.583) 9.676 4.574 ( -4.736 0.000 -1.756) 5.051 4.675 ( 2.003 -0.000 -4.009) 4.482 4.797 ( -2.284 0.000 -0.377) 2.315 4.818 ( 6.307 -0.000 -0.765) 6.353 4.885 ( -1.271 0.000 -0.625) 1.416 4.969 ( 1.121 -0.000 1.364) 1.766 5.011 ( -2.983 0.000 -11.293) 11.681 5.164 ( 0.111 -0.000 1.461) 1.466 5.229 ( 5.362 -0.000 -5.903) 7.975 5.347 ( -11.392 0.000 -1.942) 11.556 5.389 ( -2.620 0.000 -1.562) 3.050 5.554 ( -11.278 0.000 -0.764) 11.304 5.573 ( -8.320 0.000 7.325) 11.085 5.898 ( -3.508 0.000 2.776) 4.473 5.933 ( 4.485 -0.000 -1.229) 4.650 6.082 ( 0.707 -0.000 -8.559) 8.589 6.386 ( 17.386 -0.000 0.206) 17.388 6.414 ( -8.642 0.000 0.573) 8.661 6.623 ( -5.816 0.000 -0.603) 5.847 6.680 ( 5.732 -0.000 -0.311) 5.740 6.991 ( 7.826 -0.000 -1.887) 8.050 7.003 ( 0.286 -0.000 8.081) 8.086 7.082 ( 18.241 -0.000 -7.509) 19.726 7.635 ( 5.235 -0.000 -1.681) 5.499 7.945 ( 0.377 -0.000 2.111) 2.144 8.065 ( 8.947 -0.000 -27.602) 29.016 8.295 ( -6.864 0.000 0.038) 6.864 8.488 ( -21.092 0.000 49.998) 54.264 8.566 ( 10.557 -0.000 -6.532) 12.414 8.800 ( -9.609 0.000 3.114) 10.101 8.917 ( 1.553 -0.000 10.482) 10.597 9.077 ( -6.318 0.000 -2.472) 6.784 9.130 ( 10.552 -0.000 -10.015) 14.548 9.664 ( 1.610 -0.000 10.066) 10.194 9.740 ( 7.886 -0.000 -7.350) 10.780 10.357 ( 8.424 -0.000 -36.332) 37.296 10.441 ( -0.034 0.000 -18.567) 18.567 10.553 ( -16.420 0.000 6.632) 17.709 10.667 ( -8.262 0.000 2.005) 8.501 10.673 ( 0.145 -0.000 -8.785) 8.786 10.911 ( 4.295 -0.000 -5.187) 6.735 10.947 ( 5.896 -0.000 -0.566) 5.923 11.057 ( 11.197 -0.000 -34.904) 36.656 11.199 ( 2.688 -0.000 6.045) 6.616 11.359 ( 7.167 -0.000 -0.734) 7.205 11.550 ( 13.837 -0.000 3.268) 14.217 12.226 ( -6.086 0.000 2.113) 6.443 12.305 ( -4.971 0.000 0.428) 4.989 12.517 ( 11.316 -0.000 -3.474) 11.838 12.936 ( -3.235 0.000 -0.648) 3.299 12.989 ( 0.023 -0.000 -0.926) 0.926 13.121 ( 8.945 -0.000 -0.294) 8.950 13.886 ( -2.938 0.000 0.130) 2.941 13.897 ( -1.789 0.000 -0.443) 1.843 16.298 ( 0.345 -0.000 10.284) 10.290 16.312 ( 11.824 -0.000 -62.584) 63.691 17.412 ( -0.304 0.000 -1.474) 1.505 17.555 ( 3.682 -0.000 -1.858) 4.124 17.972 ( 7.744 -0.000 -1.217) 7.839 18.395 ( 6.248 -0.000 -16.905) 18.022 19.305 ( -21.430 0.000 19.780) 29.163 19.380 ( -14.370 0.000 -0.878) 14.397 19.773 ( 9.386 -0.000 -2.688) 9.763 19.839 ( 7.180 -0.000 12.315) 14.255 20.187 ( 5.081 -0.000 1.586) 5.323 20.584 ( 4.049 -0.000 -0.602) 4.093 20.592 ( 1.305 -0.000 0.012) 1.305 21.371 ( 34.788 -0.000 -105.030) 110.642 21.872 ( -11.814 0.000 34.987) 36.928 21.912 ( -9.053 0.000 35.411) 36.550 21.915 ( 2.825 -0.000 -0.111) 2.827 22.396 ( 1.583 -0.000 -3.392) 3.743 22.444 ( -0.023 0.000 -0.003) 0.023 22.856 ( -5.896 0.000 2.440) 6.381 23.016 ( -2.083 0.000 -0.164) 2.090 23.068 ( -3.141 0.000 0.461) 3.175 ======================= Grid point 13 (8/102) ======================= q-point: ( 0.18 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.609 ( 19.035 -11.550 -0.508) 22.271 0.754 ( 17.393 -16.398 5.190) 24.461 1.210 ( 5.351 -0.405 -3.463) 6.387 1.317 ( 36.762 -16.614 -1.339) 40.364 1.365 ( 12.443 -12.419 -5.080) 18.299 1.804 ( 7.866 3.768 1.553) 8.859 1.996 ( 14.026 -1.462 11.874) 18.435 2.248 ( 10.296 6.309 -8.892) 14.996 2.439 ( 5.759 -6.039 -2.312) 8.659 2.606 ( 3.077 -9.682 1.949) 10.345 2.720 ( -2.388 -1.501 6.517) 7.101 2.754 ( 4.996 -1.308 -6.439) 8.254 2.915 ( 1.612 0.750 -0.040) 1.778 3.026 ( -3.074 0.578 -0.602) 3.186 3.271 ( -3.393 2.340 -1.845) 4.516 3.347 ( -1.474 4.939 -0.604) 5.189 3.384 ( -5.167 -2.627 2.428) 6.284 3.457 ( 2.853 2.774 -0.909) 4.082 3.561 ( -1.046 -2.778 2.347) 3.784 3.682 ( 3.070 1.100 -4.311) 5.405 3.799 ( -1.339 1.026 -3.035) 3.473 3.849 ( -2.246 -3.924 -1.919) 4.912 3.902 ( -2.361 -0.658 1.793) 3.037 3.981 ( -1.847 2.337 0.355) 3.000 4.166 ( -3.519 1.854 5.526) 6.809 4.373 ( -7.143 4.569 3.474) 9.164 4.537 ( -1.021 2.267 -1.300) 2.806 4.651 ( -0.897 -0.435 -3.120) 3.275 4.677 ( -0.630 7.465 -1.891) 7.727 4.745 ( -4.293 5.591 -2.441) 7.460 4.861 ( 4.717 4.549 0.358) 6.563 5.012 ( 1.265 -2.070 -4.773) 5.354 5.059 ( -2.060 -5.447 3.873) 6.994 5.159 ( -4.603 -0.626 1.773) 4.972 5.234 ( 0.160 3.327 -2.400) 4.106 5.315 ( -7.062 -5.344 -2.419) 9.181 5.403 ( -4.386 -5.441 -2.900) 7.566 5.455 ( -8.220 1.563 -0.914) 8.418 5.567 ( -9.300 -3.621 5.444) 11.369 5.850 ( -0.289 3.492 1.987) 4.028 5.995 ( -0.706 -3.511 1.247) 3.792 6.076 ( 3.219 -0.566 -6.813) 7.556 6.232 ( 6.587 8.329 1.999) 10.805 6.517 ( 9.152 2.538 3.836) 10.243 6.534 ( -3.036 2.430 -1.867) 4.314 6.743 ( 7.319 -1.734 -2.871) 8.051 6.975 ( 2.637 0.413 2.599) 3.725 7.109 ( 5.347 -2.096 3.458) 6.703 7.284 ( 11.182 -5.611 -4.339) 13.242 7.717 ( 7.302 -3.716 -0.988) 8.252 7.913 ( 6.157 7.028 0.710) 9.370 8.039 ( 5.044 4.127 -16.102) 17.371 8.202 ( -4.901 4.169 1.975) 6.730 8.317 ( -4.884 6.441 20.535) 22.069 8.550 ( 4.009 7.495 -5.777) 10.277 8.775 ( -10.453 -0.950 2.661) 10.828 8.911 ( -0.770 1.811 9.050) 9.261 9.081 ( 1.392 -2.922 0.225) 3.244 9.210 ( 8.750 -2.683 -8.151) 12.255 9.625 ( 3.545 11.115 0.375) 11.672 9.749 ( 12.115 5.015 -7.322) 15.018 9.900 ( 17.412 18.206 -15.317) 29.483 10.347 ( 1.513 3.919 1.138) 4.352 10.459 ( -14.136 3.408 3.018) 14.851 10.618 ( -6.436 -0.661 3.080) 7.166 10.706 ( -7.090 -3.538 -2.026) 8.179 10.838 ( 1.764 3.182 -0.020) 3.638 10.972 ( 6.597 3.866 -7.720) 10.865 11.154 ( 4.489 -7.376 0.020) 8.634 11.382 ( 4.779 -0.997 2.277) 5.387 11.428 ( 2.979 -6.244 -6.221) 9.304 11.645 ( 10.272 1.089 4.570) 11.295 12.188 ( -6.493 -0.169 1.595) 6.688 12.263 ( -5.753 -0.287 -0.475) 5.779 12.554 ( 14.387 6.190 -1.454) 15.729 12.764 ( 14.770 16.772 -0.455) 22.353 12.972 ( -0.321 1.421 -0.501) 1.540 13.025 ( 3.142 4.078 1.046) 5.253 13.853 ( -1.811 2.892 -0.033) 3.413 13.909 ( -7.527 -0.733 0.196) 7.565 16.085 ( 7.829 9.990 -16.850) 21.095 16.311 ( 0.451 4.104 6.554) 7.746 17.405 ( -0.686 -1.611 0.213) 1.764 17.628 ( 5.443 -4.072 -2.514) 7.247 17.782 ( 5.244 7.333 1.649) 9.165 18.588 ( 8.058 -3.246 -8.242) 11.975 19.111 ( -11.016 3.859 4.201) 12.406 19.478 ( -15.374 -7.638 -1.244) 17.211 19.715 ( 10.848 12.895 -2.184) 16.992 19.885 ( -6.629 2.635 1.552) 7.300 19.930 ( 13.531 17.580 10.290) 24.454 20.422 ( 0.247 12.171 -0.182) 12.175 20.771 ( 8.410 -7.031 0.801) 10.991 21.045 ( 23.139 6.111 -17.599) 29.707 21.724 ( 0.941 -5.127 9.444) 10.787 21.904 ( 2.133 0.186 -1.158) 2.434 22.375 ( 0.389 2.017 -0.747) 2.186 22.459 ( -0.243 -2.088 1.665) 2.682 22.654 ( -9.393 -10.681 -1.970) 14.360 22.983 ( -10.486 -10.492 -4.098) 15.390 23.059 ( -11.273 -10.981 -1.002) 15.769 23.092 ( -9.600 -10.644 1.528) 14.415 ======================= Grid point 14 (9/102) ======================= q-point: ( 0.27 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.967 ( 16.079 -13.680 -0.080) 21.112 1.167 ( 9.345 -8.726 8.582) 15.399 1.243 ( 5.753 -8.623 2.672) 10.705 1.605 ( 11.334 -6.108 -11.361) 17.171 1.863 ( 17.136 -10.537 -3.913) 20.494 1.913 ( 19.058 -11.028 0.173) 22.019 2.170 ( 11.220 -4.079 9.464) 15.235 2.237 ( 12.234 -1.413 -6.597) 13.971 2.545 ( 2.828 -3.101 -4.079) 5.853 2.735 ( -3.538 -2.354 3.397) 5.441 2.811 ( 0.137 -9.020 5.281) 10.453 2.843 ( 1.927 1.317 4.300) 4.893 2.912 ( 2.925 -2.853 -2.672) 4.882 3.049 ( 6.343 -3.044 -2.807) 7.574 3.216 ( -3.914 1.392 -1.679) 4.481 3.249 ( -5.151 0.926 -0.160) 5.236 3.386 ( -1.801 1.201 2.258) 3.127 3.397 ( -1.595 3.293 -0.318) 3.673 3.613 ( -0.219 -2.420 -0.098) 2.432 3.648 ( 1.016 3.301 -3.630) 5.010 3.740 ( -2.850 2.063 0.112) 3.520 3.846 ( -0.871 4.512 -0.732) 4.653 3.898 ( -3.371 -3.251 -3.333) 5.748 3.937 ( -5.685 -0.801 2.708) 6.348 4.079 ( -5.169 4.609 5.871) 9.079 4.254 ( -3.108 5.202 1.471) 6.236 4.457 ( 0.403 9.986 -1.139) 10.059 4.563 ( -1.745 -1.487 -0.966) 2.488 4.634 ( -5.739 0.038 -1.667) 5.977 4.726 ( 4.299 -3.760 -4.342) 7.175 4.816 ( 3.020 3.510 1.768) 4.956 5.009 ( -4.014 0.525 -0.781) 4.123 5.079 ( -4.114 3.789 7.659) 9.483 5.143 ( -4.754 -2.251 -0.296) 5.268 5.205 ( 2.219 -1.946 -8.651) 9.140 5.342 ( -10.219 0.946 0.323) 10.268 5.384 ( -2.070 -5.918 0.730) 6.312 5.498 ( -0.772 -5.805 -4.133) 7.168 5.563 ( -9.272 -2.226 4.689) 10.626 5.800 ( 1.951 2.649 1.356) 3.558 6.034 ( -1.030 -1.412 -0.419) 1.797 6.124 ( 1.526 -2.771 0.207) 3.170 6.234 ( 9.381 -1.092 0.607) 9.464 6.428 ( -2.774 3.409 -0.717) 4.453 6.574 ( 11.724 2.904 1.548) 12.177 6.826 ( 8.075 -1.406 -3.556) 8.935 7.000 ( 0.621 -0.930 2.235) 2.499 7.163 ( 3.771 0.636 4.370) 5.807 7.397 ( 7.852 -0.260 -1.843) 8.070 7.700 ( 7.145 14.845 -0.781) 16.493 7.880 ( 8.911 -0.660 -2.250) 9.214 7.972 ( -2.087 1.795 -3.367) 4.349 8.118 ( -1.273 2.352 4.029) 4.836 8.318 ( 3.608 -1.320 3.272) 5.047 8.435 ( 3.906 6.083 -7.681) 10.548 8.641 ( -11.425 4.846 2.727) 12.707 8.901 ( -3.842 1.162 6.583) 7.711 9.103 ( 0.615 2.084 0.105) 2.175 9.302 ( 6.347 -0.871 -8.445) 10.600 9.436 ( 3.626 8.276 -0.679) 9.061 9.683 ( 1.678 8.020 1.470) 8.324 9.858 ( 9.072 0.761 -5.746) 10.765 10.267 ( -3.360 5.611 3.798) 7.563 10.359 ( -2.068 -1.556 0.846) 2.723 10.605 ( -4.357 -1.682 3.741) 5.984 10.712 ( -5.400 -3.198 -3.005) 6.958 10.810 ( 1.718 1.299 -0.964) 2.359 10.973 ( 5.084 0.383 -3.162) 6.000 11.274 ( 7.115 -1.610 -0.754) 7.333 11.402 ( 7.187 3.215 1.821) 8.081 11.523 ( 2.493 -2.595 -1.170) 3.784 11.659 ( 4.600 4.777 3.277) 7.397 12.141 ( -5.151 0.648 0.254) 5.198 12.232 ( -4.693 -0.260 -0.241) 4.707 12.509 ( 11.911 8.626 -0.501) 14.715 12.635 ( 16.292 11.704 0.034) 20.061 12.945 ( -0.891 0.311 -0.220) 0.969 13.004 ( -2.072 -0.768 0.225) 2.221 13.760 ( -2.332 6.025 0.387) 6.472 13.818 ( -7.637 3.553 0.050) 8.424 15.991 ( 2.912 3.416 -6.154) 7.617 16.224 ( -2.161 5.523 4.874) 7.677 17.450 ( -3.597 -4.418 0.334) 5.707 17.746 ( 5.930 -4.688 -2.416) 7.936 17.807 ( 5.269 -3.398 1.593) 6.469 18.588 ( 6.092 5.903 -2.969) 8.988 18.960 ( -10.071 6.128 1.769) 11.921 19.362 ( 0.772 12.468 -0.466) 12.501 19.522 ( 7.760 12.914 0.515) 15.075 19.642 ( 1.027 11.493 -2.630) 11.835 19.983 ( -14.379 -9.052 3.705) 17.390 20.187 ( 1.233 13.988 1.139) 14.089 20.937 ( 13.138 -2.379 0.495) 13.361 21.228 ( 12.726 -10.018 -5.768) 17.192 21.875 ( 1.399 -7.808 6.404) 10.195 21.930 ( 2.447 -1.773 -2.357) 3.832 22.318 ( -0.517 3.907 -1.417) 4.188 22.518 ( -0.009 -3.878 3.695) 5.357 22.664 ( -3.577 0.449 -2.310) 4.282 23.032 ( -3.922 -3.685 -2.190) 5.810 23.124 ( -5.737 -5.877 0.864) 8.258 23.228 ( -16.430 -11.486 -1.082) 20.076 ======================= Grid point 15 (10/102) ======================= q-point: ( 0.36 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.274 ( 7.852 -5.535 1.606) 9.741 1.311 ( 12.807 -11.360 -0.317) 17.122 1.603 ( 7.579 -13.105 5.526) 16.116 1.711 ( 7.402 -4.331 -6.846) 10.973 2.072 ( 5.984 -5.135 -2.401) 8.243 2.153 ( 7.706 -7.073 -0.503) 10.472 2.364 ( 7.591 -7.728 2.222) 11.058 2.496 ( 11.858 -6.608 -3.359) 13.985 2.572 ( 3.947 -0.426 0.597) 4.015 2.745 ( 7.880 0.813 1.251) 8.020 2.783 ( -7.602 0.709 4.139) 8.684 2.897 ( -4.201 -1.417 2.951) 5.326 3.031 ( 1.752 -2.563 -0.519) 3.148 3.128 ( 5.282 -0.802 -2.166) 5.765 3.215 ( -0.722 -3.932 -2.741) 4.847 3.241 ( -4.070 -4.167 1.136) 5.935 3.326 ( -0.885 1.692 -2.766) 3.361 3.352 ( -0.115 1.580 1.931) 2.498 3.587 ( 3.990 4.268 -1.503) 6.033 3.620 ( -2.929 1.161 -0.485) 3.188 3.701 ( -2.728 0.544 1.070) 2.980 3.770 ( -2.064 0.642 -1.551) 2.660 3.879 ( -6.751 0.334 4.321) 8.023 3.931 ( -2.683 1.669 0.185) 3.165 4.033 ( 0.785 -2.889 0.932) 3.136 4.161 ( -2.780 2.200 -1.346) 3.792 4.291 ( -0.235 6.658 -0.454) 6.678 4.558 ( -4.898 1.534 -2.072) 5.535 4.600 ( -3.056 0.081 1.624) 3.461 4.791 ( 0.043 0.840 2.636) 2.767 4.834 ( 4.569 -4.252 -4.415) 7.646 4.954 ( -10.951 0.770 6.225) 12.620 4.999 ( 1.779 1.297 -3.898) 4.477 5.138 ( -7.444 0.007 -1.064) 7.520 5.219 ( 2.631 -0.883 -0.428) 2.808 5.305 ( -4.082 -2.867 -2.136) 5.427 5.498 ( 1.097 -5.751 -1.909) 6.158 5.524 ( -4.487 0.167 4.875) 6.628 5.586 ( -2.313 -5.055 -2.049) 5.924 5.793 ( 1.098 -0.133 0.877) 1.412 6.019 ( -1.330 2.307 1.222) 2.930 6.188 ( -0.193 -3.483 1.723) 3.890 6.357 ( 2.480 -2.978 -1.297) 4.086 6.400 ( 10.769 -1.386 -2.413) 11.123 6.608 ( 10.831 2.887 2.037) 11.393 6.881 ( 5.218 0.651 -3.023) 6.066 7.009 ( 0.094 0.849 0.601) 1.044 7.177 ( 2.476 1.350 7.057) 7.599 7.408 ( 2.660 3.334 -0.153) 4.267 7.473 ( 7.281 14.148 -4.597) 16.563 7.880 ( -1.957 2.056 -3.256) 4.319 7.949 ( -3.586 -1.475 2.231) 4.473 8.137 ( 7.291 0.347 2.744) 7.799 8.307 ( 5.677 6.196 -3.970) 9.294 8.359 ( -0.326 6.059 -1.601) 6.276 8.535 ( -5.294 -1.537 3.061) 6.305 8.845 ( -5.964 1.342 2.653) 6.664 9.038 ( 0.660 4.646 -0.779) 4.757 9.203 ( -6.428 6.212 -2.083) 9.179 9.457 ( 9.119 -0.458 -1.235) 9.214 9.514 ( -6.325 7.405 0.284) 9.743 9.894 ( 6.424 1.836 -2.405) 7.100 10.196 ( 0.067 1.406 2.620) 2.974 10.442 ( 2.441 -6.445 0.022) 6.892 10.634 ( -3.076 -3.601 3.215) 5.724 10.727 ( -3.600 -2.913 -3.665) 5.906 10.804 ( 1.187 0.647 0.419) 1.415 11.008 ( 4.143 -0.906 -1.140) 4.392 11.322 ( 9.810 3.043 -1.181) 10.339 11.383 ( 5.358 4.571 1.813) 7.272 11.535 ( -1.562 4.141 0.017) 4.426 11.580 ( 6.551 5.975 1.031) 8.926 12.090 ( -3.398 1.709 0.312) 3.816 12.189 ( -2.151 2.464 0.130) 3.274 12.455 ( 7.689 4.934 -0.664) 9.160 12.558 ( 10.821 8.253 0.165) 13.610 12.967 ( 0.028 -3.279 0.481) 3.314 13.022 ( -1.989 -2.999 -0.647) 3.656 13.603 ( -4.236 8.467 0.385) 9.475 13.700 ( -6.036 3.880 0.110) 7.177 15.958 ( 0.616 1.027 -2.958) 3.191 16.123 ( -3.586 4.038 2.666) 6.023 17.501 ( -2.689 -3.806 0.112) 4.662 17.858 ( 2.310 -4.423 -2.257) 5.477 17.938 ( 4.507 -6.114 1.919) 7.834 18.504 ( 4.820 6.757 -0.443) 8.312 18.741 ( -6.555 10.856 0.486) 12.691 19.170 ( 4.217 9.967 1.150) 10.884 19.361 ( 2.356 9.649 -1.774) 10.089 19.492 ( 1.986 6.354 -0.135) 6.659 19.901 ( -3.466 11.129 -1.730) 11.784 20.066 ( -12.440 -4.994 2.420) 13.621 21.059 ( 13.756 -0.103 0.455) 13.764 21.482 ( 7.224 -10.126 -1.717) 12.556 21.988 ( 2.422 -3.400 -4.004) 5.784 22.020 ( 0.790 -5.303 5.426) 7.628 22.230 ( -1.469 4.438 -1.199) 4.826 22.561 ( -5.340 1.194 8.625) 10.215 22.661 ( 3.856 -4.377 -7.485) 9.490 23.047 ( -3.549 -1.314 -0.778) 3.864 23.193 ( -3.438 -5.309 0.355) 6.335 23.273 ( -11.610 -6.097 -0.236) 13.115 ======================= Grid point 16 (11/102) ======================= q-point: ( 0.45 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.477 ( 5.553 -7.307 -3.066) 9.676 1.524 ( 10.940 -5.176 -4.978) 13.087 1.758 ( 7.132 -5.440 0.129) 8.971 1.950 ( 2.710 -10.866 6.969) 13.191 2.155 ( -3.182 -3.404 0.611) 4.700 2.304 ( 4.527 -2.016 4.210) 6.503 2.423 ( 0.242 6.647 -0.287) 6.658 2.526 ( 4.482 -4.069 -3.417) 6.951 2.663 ( -3.873 -1.410 1.070) 4.258 2.762 ( -1.574 0.432 2.871) 3.302 2.818 ( 6.992 -2.349 -3.961) 8.372 2.895 ( -0.181 -1.726 0.854) 1.934 3.042 ( 4.152 -0.495 -0.639) 4.230 3.159 ( -1.650 -0.981 -1.377) 2.362 3.240 ( 2.113 -0.530 -0.983) 2.390 3.294 ( -0.678 0.927 -1.192) 1.655 3.330 ( -1.938 3.958 1.319) 4.600 3.355 ( 1.524 -4.492 -0.095) 4.745 3.539 ( 0.988 1.877 3.197) 3.837 3.586 ( 2.074 -0.095 -2.775) 3.466 3.668 ( -0.590 1.173 -0.659) 1.470 3.775 ( -1.757 0.343 1.089) 2.095 3.863 ( -3.362 0.942 0.070) 3.492 3.870 ( -3.768 -3.803 2.767) 6.026 4.069 ( -1.727 0.187 -1.475) 2.279 4.188 ( -1.623 -6.149 -3.721) 7.368 4.237 ( 3.978 -0.110 -0.659) 4.033 4.438 ( -7.624 5.680 0.879) 9.548 4.578 ( -3.244 0.010 2.851) 4.318 4.790 ( -1.708 -0.449 2.937) 3.427 4.860 ( -9.514 -0.821 1.301) 9.638 4.943 ( 4.885 -1.891 1.216) 5.377 5.007 ( 3.410 -0.623 -6.256) 7.153 5.078 ( -5.291 0.320 -1.683) 5.562 5.265 ( 2.016 -1.667 1.188) 2.873 5.359 ( -1.200 -5.033 -0.698) 5.221 5.464 ( -1.835 2.451 2.363) 3.868 5.597 ( -0.124 -2.230 -2.143) 3.096 5.661 ( 1.593 -4.828 0.595) 5.119 5.806 ( -1.754 -0.637 -0.508) 1.934 5.953 ( -0.471 3.610 2.051) 4.179 6.243 ( -1.155 -2.499 1.919) 3.356 6.407 ( 2.680 -3.438 -3.753) 5.753 6.531 ( 11.803 0.950 -1.882) 11.990 6.666 ( 8.451 -2.469 2.742) 9.221 6.824 ( -1.470 7.256 0.132) 7.405 6.997 ( 2.613 1.055 -1.203) 3.064 7.161 ( -1.977 4.667 5.894) 7.774 7.267 ( 1.792 7.574 -4.860) 9.176 7.385 ( 0.119 2.054 0.788) 2.204 7.837 ( -2.783 -0.307 -3.313) 4.337 7.943 ( -7.699 -1.634 3.937) 8.800 8.147 ( -2.780 3.407 -1.240) 4.569 8.216 ( 8.409 5.069 -1.577) 9.944 8.266 ( 6.866 6.214 -2.031) 9.481 8.533 ( -3.632 1.362 6.595) 7.651 8.810 ( -0.068 -0.893 -4.263) 4.356 8.978 ( -0.137 1.779 1.625) 2.413 9.057 ( -7.337 3.028 0.870) 7.985 9.365 ( -4.866 3.530 -0.771) 6.061 9.526 ( 7.620 0.116 -1.584) 7.783 9.872 ( 3.775 3.997 0.174) 5.501 10.208 ( 1.988 -0.814 0.232) 2.161 10.587 ( 2.926 -6.340 -0.643) 7.012 10.683 ( -3.261 -3.449 -0.192) 4.751 10.745 ( -3.407 -2.805 -1.657) 4.714 10.817 ( 0.142 -1.642 3.313) 3.700 11.057 ( 2.176 -1.781 -0.410) 2.842 11.285 ( 3.752 7.621 -1.435) 8.615 11.330 ( 4.954 4.971 1.171) 7.116 11.413 ( 3.056 6.942 1.367) 7.707 11.539 ( 6.853 5.877 -1.004) 9.084 12.036 ( -1.866 1.802 -0.024) 2.594 12.113 ( -1.073 4.293 0.485) 4.452 12.448 ( 4.741 1.141 -0.774) 4.937 12.505 ( 4.178 4.118 0.333) 5.876 13.051 ( 1.061 -4.645 0.663) 4.810 13.081 ( 0.198 -4.826 -1.029) 4.939 13.419 ( -4.630 8.163 0.130) 9.385 13.594 ( -4.738 3.422 0.474) 5.864 15.942 ( -0.447 0.388 -2.081) 2.164 16.047 ( -3.682 1.837 1.887) 4.527 17.548 ( -0.379 -2.768 0.026) 2.794 17.920 ( -2.562 -3.263 -1.570) 4.436 18.081 ( 2.181 -6.246 1.944) 6.895 18.434 ( 3.298 4.350 -0.763) 5.512 18.524 ( -0.102 9.987 -0.007) 9.988 19.068 ( 2.627 5.187 3.871) 6.985 19.215 ( 2.487 8.109 -4.025) 9.388 19.425 ( 2.765 3.591 0.539) 4.564 19.683 ( -2.793 9.043 -0.604) 9.484 20.069 ( -13.629 -5.673 0.256) 14.764 21.144 ( 12.706 1.705 0.495) 12.830 21.677 ( 3.219 -7.615 -0.054) 8.268 22.039 ( 0.311 0.594 -2.094) 2.199 22.083 ( 0.749 -1.635 -0.949) 2.033 22.166 ( -1.376 0.235 1.425) 1.995 22.495 ( -3.770 2.641 4.314) 6.308 22.788 ( 4.123 -6.404 -3.399) 8.340 23.023 ( -2.967 1.168 0.200) 3.195 23.254 ( -2.452 -3.287 0.708) 4.161 23.295 ( -6.222 -4.623 -0.486) 7.767 ======================= Grid point 17 (12/102) ======================= q-point: ( 0.55 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.497 ( 3.836 3.225 -3.995) 6.409 1.721 ( 5.030 -4.519 -1.813) 7.001 1.909 ( 2.418 -6.555 -2.493) 7.419 2.059 ( -0.237 5.176 5.370) 7.463 2.125 ( -9.409 0.537 7.904) 12.300 2.256 ( 4.339 4.747 -1.959) 6.723 2.396 ( -0.310 -0.939 2.073) 2.297 2.570 ( 1.475 -0.346 -3.871) 4.157 2.687 ( -5.259 -4.218 2.876) 7.329 2.708 ( 0.577 1.521 -3.315) 3.692 2.916 ( -0.440 -1.174 -0.062) 1.256 2.996 ( 6.104 -6.183 0.339) 8.695 3.064 ( 2.531 1.344 -2.033) 3.514 3.154 ( -3.248 8.234 0.766) 8.885 3.162 ( -1.735 -1.387 -1.166) 2.509 3.238 ( 1.176 3.452 1.920) 4.122 3.275 ( 3.031 0.222 -2.194) 3.748 3.411 ( 1.510 -1.077 -1.093) 2.153 3.559 ( -3.200 -1.475 1.765) 3.941 3.600 ( 0.230 -0.328 1.503) 1.556 3.680 ( 1.632 1.966 0.084) 2.557 3.724 ( 3.494 0.756 -2.619) 4.432 3.832 ( -7.817 -2.523 3.816) 9.057 3.976 ( 1.617 -4.093 -0.229) 4.406 4.073 ( -1.829 -3.932 -3.408) 5.515 4.174 ( -4.453 3.152 0.543) 5.483 4.307 ( -6.713 0.708 3.275) 7.502 4.359 ( 7.656 -4.227 -5.548) 10.357 4.571 ( -1.555 -1.004 1.608) 2.452 4.783 ( -5.613 -0.499 4.182) 7.018 4.806 ( -6.679 -0.379 1.529) 6.862 4.992 ( 3.435 1.769 -4.662) 6.055 5.060 ( 3.801 -3.644 -2.430) 5.799 5.073 ( 3.746 -2.108 1.588) 4.582 5.278 ( 0.114 1.879 -0.580) 1.970 5.414 ( 3.761 -0.281 0.117) 3.773 5.476 ( -1.186 -4.121 1.581) 4.570 5.590 ( -3.363 0.254 0.769) 3.459 5.749 ( 0.711 -0.641 -1.421) 1.713 5.783 ( 0.272 -0.993 0.899) 1.367 5.921 ( 1.356 1.188 0.081) 1.805 6.263 ( -1.787 -0.650 1.298) 2.302 6.475 ( 0.712 -0.155 -2.042) 2.168 6.510 ( 1.756 4.692 -0.349) 5.022 6.665 ( -2.405 5.028 0.795) 5.630 6.774 ( 2.681 1.553 1.019) 3.261 6.989 ( 1.185 0.465 -1.491) 1.961 7.008 ( -1.256 6.407 0.251) 6.534 7.217 ( -5.272 -1.756 -0.897) 5.629 7.341 ( -2.600 3.085 1.518) 4.311 7.830 ( -3.005 -1.415 -2.438) 4.120 7.931 ( -8.010 -3.803 4.106) 9.772 8.066 ( -3.763 0.770 -1.051) 3.982 8.179 ( 4.753 7.249 -0.135) 8.670 8.205 ( 4.640 4.141 -0.730) 6.262 8.510 ( 2.990 -0.725 -2.546) 3.994 8.841 ( 1.973 -0.622 2.232) 3.043 8.979 ( -0.309 -1.738 2.754) 3.271 9.031 ( 1.477 -2.494 -0.516) 2.944 9.306 ( -3.062 -0.052 -1.000) 3.222 9.562 ( 7.396 1.636 -1.314) 7.688 9.827 ( 2.302 3.229 -0.434) 3.989 10.235 ( 1.932 -0.148 0.680) 2.054 10.645 ( 1.233 1.673 -0.925) 2.275 10.703 ( -7.079 -3.661 -3.024) 8.524 10.788 ( -1.220 -3.183 3.026) 4.558 10.868 ( -1.037 -2.438 1.843) 3.227 11.079 ( -2.488 -0.351 -0.461) 2.555 11.161 ( -2.048 4.056 -0.033) 4.544 11.304 ( 6.559 2.707 0.464) 7.110 11.338 ( 8.738 7.165 0.033) 11.300 11.474 ( 4.307 4.797 -0.782) 6.494 12.008 ( -0.406 0.149 -0.497) 0.659 12.046 ( -1.468 1.852 0.389) 2.395 12.459 ( 2.304 1.456 -0.273) 2.740 12.471 ( 1.124 1.599 0.301) 1.978 13.118 ( 0.053 -1.438 0.115) 1.443 13.191 ( 1.985 -6.299 -0.887) 6.664 13.259 ( -3.208 6.073 0.045) 6.869 13.531 ( -2.632 -0.227 0.858) 2.777 15.923 ( -1.959 0.376 -1.061) 2.260 16.017 ( -2.043 -0.551 0.926) 2.310 17.594 ( 2.296 -1.694 -0.027) 2.853 17.948 ( -4.610 -3.488 0.007) 5.781 18.185 ( -0.207 -3.470 1.289) 3.707 18.357 ( -1.468 5.149 -4.719) 7.137 18.425 ( 6.469 3.246 3.001) 7.835 19.017 ( -0.309 4.290 4.035) 5.897 19.106 ( 3.609 3.686 -3.486) 6.226 19.385 ( 1.937 3.601 -0.043) 4.090 19.580 ( -1.117 -0.121 -0.220) 1.144 20.076 ( -11.748 -5.936 0.003) 13.162 21.183 ( 11.347 4.143 0.284) 12.084 21.784 ( -1.382 -1.974 0.157) 2.415 21.978 ( -1.112 1.718 -0.239) 2.060 22.120 ( 1.031 -1.038 -2.654) 3.030 22.174 ( -0.882 -0.557 1.735) 2.024 22.452 ( -1.276 0.266 1.744) 2.178 22.905 ( 2.407 -2.594 -1.891) 4.013 22.973 ( -1.324 0.888 0.678) 1.732 23.277 ( -2.847 -1.855 0.849) 3.502 23.348 ( -0.140 -3.634 -0.528) 3.675 ======================= Grid point 18 (13/102) ======================= q-point: (-0.36 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.446 ( -0.353 3.475 0.659) 3.555 1.635 ( -2.591 14.314 2.214) 14.714 1.827 ( -2.996 12.728 -2.632) 13.339 1.946 ( -2.535 4.251 0.100) 4.950 2.180 ( -1.124 -9.481 -0.158) 9.549 2.236 ( -2.943 1.433 2.150) 3.916 2.376 ( 3.118 5.305 -1.133) 6.257 2.571 ( -1.603 -0.604 -1.706) 2.417 2.683 ( -3.437 1.157 4.081) 5.459 2.734 ( -5.715 12.198 -2.088) 13.631 2.760 ( -0.051 -1.785 -0.163) 1.793 2.966 ( -0.579 2.723 0.108) 2.786 3.128 ( 2.432 3.680 0.544) 4.444 3.162 ( 1.691 -6.031 0.480) 6.282 3.195 ( 0.113 -1.280 -2.744) 3.030 3.243 ( 0.252 -3.584 -0.446) 3.621 3.289 ( 3.055 -2.528 -0.333) 3.979 3.426 ( 2.029 0.635 -1.986) 2.910 3.516 ( -2.010 4.046 0.344) 4.531 3.595 ( -2.715 -1.233 5.665) 6.402 3.665 ( 4.542 0.231 -2.609) 5.244 3.775 ( 4.456 -2.077 -3.891) 6.269 3.838 ( -2.776 -0.905 4.731) 5.560 3.997 ( -1.747 -0.166 -1.561) 2.349 4.074 ( -4.465 2.746 1.725) 5.518 4.136 ( -0.184 -1.906 -1.520) 2.445 4.304 ( -2.401 -1.879 5.322) 6.133 4.447 ( 3.572 -2.482 -4.917) 6.565 4.588 ( -2.778 -1.238 -1.569) 3.423 4.776 ( -4.566 -3.914 3.670) 7.045 4.790 ( 1.118 0.651 -0.670) 1.457 4.959 ( 2.052 2.179 -3.850) 4.877 5.144 ( 0.033 -2.102 4.130) 4.634 5.162 ( 7.627 -2.115 -1.895) 8.138 5.248 ( 5.030 1.218 -1.470) 5.380 5.436 ( 1.222 1.553 -0.860) 2.155 5.512 ( -1.322 -2.538 0.844) 2.984 5.584 ( -2.284 0.011 4.309) 4.877 5.707 ( -1.012 1.902 -2.332) 3.175 5.837 ( 0.324 -0.124 3.483) 3.500 5.917 ( 2.460 -0.953 -4.585) 5.290 6.245 ( -2.195 1.296 0.267) 2.563 6.353 ( -6.608 5.127 3.073) 8.911 6.434 ( -1.972 5.932 -1.695) 6.477 6.614 ( -5.047 9.469 2.666) 11.056 6.684 ( -0.890 -5.913 -3.700) 7.032 6.915 ( -4.996 3.935 0.228) 6.363 7.052 ( 0.697 -4.480 -1.204) 4.691 7.216 ( -4.201 1.040 2.505) 5.000 7.249 ( -5.864 -0.068 -1.102) 5.967 7.811 ( -5.363 -0.462 -0.763) 5.437 7.986 ( -4.218 -5.816 1.397) 7.319 8.082 ( 0.524 4.380 -0.139) 4.413 8.089 ( -0.281 -4.855 2.035) 5.272 8.166 ( 2.607 2.835 -0.186) 3.856 8.578 ( 6.094 -2.526 -7.220) 9.780 8.874 ( 2.006 -1.553 4.812) 5.440 9.023 ( 1.851 -1.463 2.166) 3.203 9.142 ( 7.206 -5.133 -0.676) 8.873 9.303 ( -2.033 -1.561 -0.344) 2.587 9.578 ( 6.507 1.877 -1.053) 6.854 9.796 ( 0.208 0.974 -1.030) 1.433 10.241 ( 2.737 1.661 1.166) 3.407 10.583 ( -2.548 4.407 0.110) 5.092 10.683 ( -8.533 -0.891 -0.555) 8.597 10.805 ( -0.761 0.619 2.605) 2.783 10.867 ( 0.574 1.761 -2.152) 2.839 11.050 ( -2.826 0.793 -0.769) 3.034 11.135 ( -4.715 -3.030 1.155) 5.722 11.268 ( 3.806 5.581 -0.385) 6.766 11.341 ( 6.488 -1.053 -0.148) 6.575 11.472 ( 4.819 -0.877 0.200) 4.903 12.019 ( -1.585 -1.660 1.331) 2.653 12.038 ( 0.277 -2.020 -2.024) 2.873 12.421 ( -0.403 2.787 0.643) 2.889 12.462 ( 0.695 1.071 -0.201) 1.293 13.082 ( -1.400 3.791 0.186) 4.045 13.162 ( -0.465 3.659 -0.019) 3.688 13.330 ( 0.991 -8.093 -1.097) 8.227 13.580 ( 0.760 -5.225 0.971) 5.368 15.899 ( -3.207 -0.044 0.197) 3.214 16.033 ( -0.602 -1.999 -0.268) 2.105 17.644 ( 5.559 -0.756 -0.285) 5.617 17.979 ( -4.282 -2.932 2.481) 5.752 18.180 ( -2.125 3.130 -0.297) 3.795 18.239 ( -0.365 6.036 -4.656) 7.632 18.495 ( 5.197 -5.410 3.559) 8.303 18.939 ( -3.833 0.694 -2.213) 4.480 19.130 ( 3.694 -1.732 1.836) 4.474 19.337 ( -2.358 0.909 -0.104) 2.529 19.654 ( 5.015 -5.736 -0.411) 7.630 20.110 ( -9.846 -6.663 0.161) 11.890 21.165 ( 10.545 6.868 -0.094) 12.585 21.693 ( -7.202 6.828 -0.157) 9.925 22.016 ( 0.954 -3.892 0.733) 4.074 22.108 ( -0.257 2.222 -0.301) 2.257 22.170 ( -0.764 0.485 0.348) 0.969 22.482 ( 1.313 -3.375 -1.227) 3.823 22.842 ( -1.907 5.897 1.150) 6.304 23.037 ( 2.435 -3.813 -0.842) 4.602 23.286 ( -1.118 -0.620 0.545) 1.390 23.415 ( 2.815 -2.799 -0.166) 3.973 ======================= Grid point 19 (14/102) ======================= q-point: (-0.27 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.297 ( -4.995 15.553 1.703) 16.424 1.344 ( -3.639 10.824 0.488) 11.430 1.592 ( -3.012 9.627 0.128) 10.088 1.813 ( -1.794 7.755 0.298) 7.965 2.101 ( -4.718 8.388 0.179) 9.625 2.243 ( 1.765 11.175 -2.387) 11.562 2.386 ( -8.057 13.134 -3.227) 15.743 2.394 ( -0.209 -11.338 -1.323) 11.416 2.455 ( -4.762 14.356 3.499) 15.524 2.687 ( -1.379 -1.024 3.267) 3.691 2.812 ( 0.451 -2.908 -2.304) 3.737 2.948 ( -2.852 1.084 -0.757) 3.143 3.042 ( -0.972 5.700 2.223) 6.195 3.112 ( -2.779 5.432 1.768) 6.352 3.277 ( 4.508 -4.571 -2.329) 6.830 3.320 ( 0.260 1.110 -1.733) 2.075 3.347 ( 0.600 -4.165 0.427) 4.230 3.397 ( 0.980 1.807 -0.292) 2.076 3.493 ( 2.663 1.070 0.250) 2.881 3.647 ( 2.911 -3.827 3.272) 5.816 3.704 ( 1.891 -2.729 -2.059) 3.906 3.847 ( 1.607 -0.969 2.338) 2.998 3.864 ( 3.266 -4.240 -4.004) 6.684 3.969 ( -3.656 -0.230 -3.187) 4.855 4.035 ( 0.143 0.403 2.821) 2.854 4.138 ( -0.881 -0.588 -0.100) 1.064 4.338 ( 2.127 -0.741 6.369) 6.755 4.497 ( 0.051 -1.928 -2.728) 3.341 4.563 ( -7.900 -2.214 -1.487) 8.338 4.778 ( 1.992 2.088 -0.559) 2.939 4.852 ( 0.717 -3.024 1.572) 3.483 4.927 ( 2.051 1.894 -3.970) 4.853 5.166 ( 0.385 -1.411 1.061) 1.807 5.232 ( 8.841 0.941 -1.225) 8.975 5.284 ( 4.052 0.947 2.075) 4.650 5.418 ( -2.082 -1.941 1.061) 3.038 5.517 ( -4.024 4.200 2.409) 6.295 5.582 ( 2.572 -3.530 -2.312) 4.942 5.654 ( -0.653 3.487 -0.194) 3.553 5.797 ( -1.659 2.945 2.451) 4.175 5.970 ( -1.087 -3.347 -4.929) 6.056 6.182 ( -2.133 4.103 -1.214) 4.781 6.253 ( -2.814 3.469 1.412) 4.684 6.314 ( -7.690 1.210 3.348) 8.474 6.495 ( 4.256 3.031 -2.039) 5.609 6.777 ( -2.509 -5.272 -2.228) 6.249 6.792 ( -11.898 1.687 2.599) 12.295 7.096 ( -2.055 3.186 -1.713) 4.160 7.121 ( -7.000 -3.032 2.714) 8.097 7.297 ( -1.826 -5.014 -0.246) 5.342 7.781 ( -5.799 -0.965 -0.200) 5.882 8.019 ( 1.602 0.855 0.474) 1.877 8.067 ( 1.143 -0.387 0.964) 1.544 8.147 ( -2.105 -2.283 -1.280) 3.359 8.225 ( 0.094 -7.872 1.437) 8.002 8.628 ( 3.327 -0.986 -3.287) 4.779 8.945 ( 2.766 -2.807 1.919) 4.383 9.064 ( 4.710 0.213 -0.222) 4.720 9.277 ( 5.016 -4.292 0.567) 6.626 9.316 ( -1.926 -1.094 0.011) 2.216 9.596 ( 4.740 0.297 -1.525) 4.988 9.788 ( -2.101 -0.633 0.883) 2.366 10.225 ( 4.158 2.645 -0.314) 4.938 10.447 ( -5.577 6.875 0.993) 8.908 10.639 ( -5.232 -0.781 0.029) 5.290 10.800 ( -0.389 0.015 -0.665) 0.770 10.837 ( 0.401 0.688 1.710) 1.886 11.010 ( 2.066 2.472 -2.891) 4.329 11.160 ( -6.169 -2.434 1.365) 6.771 11.224 ( -1.040 -0.596 0.209) 1.217 11.418 ( 3.943 -2.564 -0.108) 4.705 11.534 ( 2.869 -1.729 -0.149) 3.353 12.054 ( -3.271 -4.188 0.239) 5.320 12.106 ( 1.857 -4.796 -0.982) 5.236 12.364 ( -1.268 2.902 0.642) 3.231 12.439 ( 0.199 1.713 -0.097) 1.727 13.010 ( -0.578 3.086 0.123) 3.142 13.102 ( 0.308 2.891 0.109) 2.910 13.485 ( 0.196 -8.904 -0.842) 8.946 13.704 ( 2.308 -6.601 0.568) 7.016 15.878 ( -3.722 -0.309 0.964) 3.858 16.072 ( -0.311 -2.768 -0.964) 2.947 17.701 ( 9.064 0.566 -1.124) 9.151 17.957 ( -0.586 5.192 3.484) 6.280 18.053 ( -1.048 8.816 0.301) 8.883 18.160 ( -9.307 -3.281 -3.325) 10.414 18.699 ( 7.477 -11.154 2.175) 13.603 18.956 ( -4.891 -6.467 -1.878) 8.323 19.189 ( 1.265 -1.878 -1.050) 2.496 19.339 ( -3.868 -4.222 1.949) 6.048 19.834 ( 8.275 -8.606 -0.448) 11.947 20.166 ( -8.092 -6.983 0.116) 10.689 21.097 ( 10.836 9.558 -0.462) 14.456 21.473 ( -10.976 10.145 0.474) 14.954 22.040 ( -0.135 3.672 0.984) 3.804 22.059 ( -0.539 2.560 -0.486) 2.660 22.180 ( -0.018 -3.299 0.046) 3.300 22.571 ( 2.961 -4.838 -3.559) 6.697 22.714 ( -2.413 6.729 3.047) 7.771 23.105 ( 1.975 -1.999 -0.370) 2.834 23.282 ( 0.275 0.977 0.103) 1.020 23.489 ( 4.505 -2.515 0.253) 5.166 ======================= Grid point 20 (15/102) ======================= q-point: (-0.18 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.032 ( -4.352 19.092 0.803) 19.598 1.069 ( -2.490 4.759 -1.265) 5.518 1.384 ( -2.861 14.832 -1.189) 15.152 1.698 ( 1.246 5.067 3.275) 6.160 1.892 ( -2.916 11.150 2.659) 11.828 1.986 ( -3.618 19.373 -1.966) 19.805 2.042 ( -5.895 20.897 -3.442) 21.984 2.128 ( -4.959 9.082 1.842) 10.510 2.633 ( 2.026 -11.989 -1.605) 12.264 2.662 ( 0.814 2.948 0.759) 3.151 2.812 ( -1.849 3.376 -1.379) 4.089 2.883 ( -6.290 3.349 2.519) 7.558 2.917 ( -1.227 4.029 0.793) 4.285 3.031 ( 2.342 5.875 -1.838) 6.586 3.285 ( -0.423 2.087 1.967) 2.899 3.330 ( 0.142 1.710 0.024) 1.716 3.362 ( 1.367 0.491 -0.297) 1.483 3.438 ( 4.759 -3.292 -3.221) 6.623 3.495 ( -3.619 -2.257 2.056) 4.735 3.724 ( 1.473 -1.385 1.322) 2.415 3.766 ( 1.993 -1.729 -0.561) 2.697 3.874 ( 1.853 -0.103 2.067) 2.778 3.954 ( 0.813 -2.656 -1.529) 3.170 3.992 ( -0.374 -6.508 -3.780) 7.536 4.085 ( 4.993 -4.118 -0.787) 6.520 4.183 ( -1.764 -5.379 2.414) 6.154 4.391 ( 5.364 0.280 1.599) 5.604 4.470 ( -5.403 0.050 0.967) 5.489 4.586 ( -3.762 -4.454 -1.803) 6.102 4.723 ( -2.510 2.987 0.318) 3.914 4.870 ( 5.475 2.149 0.009) 5.882 4.940 ( -1.245 -2.934 -1.311) 3.447 5.189 ( 0.933 3.698 2.316) 4.462 5.247 ( -2.247 -0.494 1.937) 3.008 5.286 ( 10.525 1.517 -3.625) 11.234 5.436 ( -5.194 0.924 0.545) 5.304 5.467 ( -1.294 -2.878 1.193) 3.374 5.579 ( 1.791 2.561 0.475) 3.161 5.671 ( 1.083 -3.526 -1.097) 3.849 5.741 ( 1.314 3.477 0.247) 3.726 5.954 ( -6.385 0.917 -2.580) 6.947 6.106 ( 0.891 2.639 0.491) 2.828 6.188 ( -0.510 3.207 0.124) 3.249 6.283 ( -6.721 -2.412 1.869) 7.381 6.533 ( 10.536 -0.231 -5.536) 11.905 6.686 ( -10.388 0.055 5.094) 11.570 6.853 ( -5.814 -5.800 -0.327) 8.218 7.005 ( -1.945 3.121 -0.848) 3.774 7.168 ( -6.094 -5.588 1.476) 8.399 7.374 ( -0.489 -4.319 0.129) 4.348 7.748 ( -3.880 0.842 -0.069) 3.971 8.049 ( 1.948 -1.774 0.873) 2.776 8.054 ( 1.122 0.862 0.288) 1.444 8.181 ( -2.866 -2.555 -2.229) 4.439 8.351 ( -0.260 -5.450 1.667) 5.705 8.690 ( 2.400 -4.960 -0.686) 5.552 9.002 ( 1.160 -1.476 0.463) 1.934 9.059 ( 2.320 3.716 -1.136) 4.526 9.297 ( -1.070 1.706 1.516) 2.520 9.370 ( 1.986 -2.742 -0.791) 3.477 9.618 ( 0.616 -0.586 -1.496) 1.721 9.769 ( -2.073 2.281 2.135) 3.749 10.242 ( 4.609 -1.352 -0.851) 4.878 10.316 ( -5.374 1.057 0.497) 5.499 10.630 ( -0.963 -0.594 -0.309) 1.173 10.796 ( 0.795 0.122 -1.733) 1.911 10.862 ( -0.562 -2.063 3.025) 3.705 10.993 ( 4.362 1.311 -1.228) 4.717 11.142 ( -4.559 -0.426 0.404) 4.597 11.252 ( -1.768 -2.586 0.057) 3.133 11.468 ( 0.302 -0.815 -0.902) 1.253 11.559 ( 0.194 -0.155 0.394) 0.466 12.118 ( -2.917 -5.413 -0.798) 6.200 12.219 ( 1.062 -6.155 0.707) 6.286 12.312 ( -1.378 1.494 0.001) 2.032 12.407 ( 0.518 2.051 -0.064) 2.117 12.970 ( 0.101 1.218 0.138) 1.230 13.064 ( 0.503 1.874 0.002) 1.940 13.641 ( -0.156 -8.467 -0.293) 8.474 13.839 ( 1.983 -6.482 0.059) 6.779 15.859 ( -3.344 -0.222 1.297) 3.593 16.120 ( -0.485 -3.150 -1.179) 3.399 17.705 ( 4.841 6.659 -1.933) 8.457 17.828 ( 0.553 8.751 0.690) 8.796 17.929 ( 6.300 4.564 1.880) 8.004 18.176 ( -14.042 -7.534 0.038) 15.935 18.980 ( 7.708 -11.636 -0.118) 13.958 19.084 ( -3.161 -12.125 1.238) 12.592 19.211 ( -2.882 -2.543 -3.309) 5.072 19.436 ( -2.306 -8.054 1.989) 8.611 20.060 ( 6.616 -9.750 -0.192) 11.784 20.243 ( -3.901 -7.099 -0.228) 8.104 20.974 ( 10.524 13.823 -0.938) 17.398 21.181 ( -13.113 11.862 1.427) 17.740 21.958 ( -0.471 6.857 -0.484) 6.890 21.967 ( -0.550 4.403 0.090) 4.438 22.260 ( 0.226 -4.523 0.263) 4.536 22.585 ( 0.451 5.752 -2.427) 6.260 22.676 ( 0.336 -4.443 2.067) 4.911 23.132 ( 1.142 0.340 0.160) 1.202 23.253 ( 0.788 2.722 -0.355) 2.856 23.570 ( 4.581 -2.582 0.638) 5.297 ======================= Grid point 21 (16/102) ======================= q-point: (-0.09 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 102 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.652 ( 0.000 20.439 -0.000) 20.439 1.007 ( 0.000 24.698 -0.000) 24.698 1.092 ( -0.000 -3.881 0.000) 3.881 1.429 ( 0.000 32.267 -0.000) 32.267 1.528 ( 0.000 15.566 -0.000) 15.566 1.760 ( 0.000 9.184 -0.000) 9.184 1.780 ( 0.000 2.346 -0.000) 2.346 2.028 ( 0.000 1.074 -0.000) 1.074 2.591 ( 0.000 5.910 -0.000) 5.910 2.686 ( 0.000 6.270 -0.000) 6.270 2.743 ( 0.000 5.527 -0.000) 5.527 2.801 ( 0.000 7.108 -0.000) 7.108 2.912 ( -0.000 -11.447 0.000) 11.447 2.939 ( 0.000 5.172 -0.000) 5.172 3.273 ( -0.000 -0.613 0.000) 0.613 3.278 ( 0.000 2.571 -0.000) 2.571 3.382 ( -0.000 -2.093 0.000) 2.093 3.494 ( -0.000 -0.374 0.000) 0.374 3.532 ( -0.000 -2.734 0.000) 2.734 3.727 ( 0.000 2.891 -0.000) 2.891 3.799 ( -0.000 -2.986 0.000) 2.986 3.879 ( 0.000 0.352 -0.000) 0.352 3.975 ( 0.000 0.056 -0.000) 0.056 4.118 ( -0.000 -6.092 0.000) 6.092 4.179 ( 0.000 1.173 -0.000) 1.173 4.298 ( -0.000 -7.372 0.000) 7.372 4.365 ( -0.000 -2.541 0.000) 2.541 4.531 ( -0.000 -6.287 0.000) 6.287 4.628 ( -0.000 -1.106 0.000) 1.106 4.702 ( -0.000 -3.049 0.000) 3.049 4.864 ( 0.000 1.314 -0.000) 1.314 4.996 ( -0.000 -4.380 0.000) 4.380 5.094 ( 0.000 4.176 -0.000) 4.176 5.250 ( 0.000 1.256 -0.000) 1.256 5.342 ( 0.000 2.419 -0.000) 2.419 5.363 ( -0.000 -0.417 0.000) 0.417 5.500 ( -0.000 -0.815 0.000) 0.815 5.599 ( -0.000 -2.757 0.000) 2.757 5.692 ( 0.000 2.099 -0.000) 2.099 5.701 ( 0.000 1.339 -0.000) 1.339 5.893 ( 0.000 1.172 -0.000) 1.172 6.076 ( 0.000 2.402 -0.000) 2.402 6.128 ( 0.000 2.734 -0.000) 2.734 6.298 ( -0.000 -1.571 0.000) 1.571 6.576 ( -0.000 -1.179 0.000) 1.179 6.674 ( -0.000 -1.179 0.000) 1.179 6.902 ( -0.000 -2.628 0.000) 2.628 6.970 ( -0.000 -0.201 0.000) 0.201 7.240 ( -0.000 -5.289 0.000) 5.289 7.431 ( -0.000 -2.244 0.000) 2.244 7.694 ( 0.000 3.380 -0.000) 3.380 8.033 ( 0.000 0.537 -0.000) 0.537 8.156 ( -0.000 -7.905 0.000) 7.905 8.176 ( 0.000 1.086 -0.000) 1.086 8.425 ( -0.000 -3.019 0.000) 3.019 8.827 ( -0.000 -8.140 0.000) 8.140 8.962 ( 0.000 6.493 -0.000) 6.493 9.029 ( -0.000 -1.178 0.000) 1.178 9.229 ( 0.000 6.248 -0.000) 6.248 9.397 ( 0.000 0.194 -0.000) 0.194 9.634 ( -0.000 -1.679 0.000) 1.679 9.694 ( 0.000 4.140 -0.000) 4.140 10.261 ( -0.000 -2.021 0.000) 2.021 10.431 ( -0.000 -11.583 0.000) 11.583 10.643 ( -0.000 -1.192 0.000) 1.192 10.797 ( -0.000 -0.281 0.000) 0.281 10.880 ( 0.000 0.722 -0.000) 0.722 11.021 ( -0.000 -1.358 0.000) 1.358 11.101 ( 0.000 3.299 -0.000) 3.299 11.280 ( -0.000 -1.356 0.000) 1.356 11.450 ( 0.000 1.561 -0.000) 1.561 11.566 ( -0.000 -0.351 0.000) 0.351 12.196 ( -0.000 -4.767 0.000) 4.767 12.299 ( -0.000 -0.867 0.000) 0.867 12.308 ( -0.000 -1.427 0.000) 1.427 12.397 ( -0.000 -2.267 0.000) 2.267 12.965 ( -0.000 -0.419 0.000) 0.419 13.038 ( 0.000 1.348 -0.000) 1.348 13.776 ( -0.000 -6.524 0.000) 6.524 13.956 ( -0.000 -5.563 0.000) 5.563 15.846 ( 0.000 0.085 -0.000) 0.085 16.174 ( -0.000 -3.410 0.000) 3.410 17.562 ( 0.000 8.951 -0.000) 8.951 17.680 ( 0.000 7.541 -0.000) 7.541 17.942 ( 0.000 1.093 -0.000) 1.093 18.232 ( -0.000 -6.357 0.000) 6.357 19.150 ( -0.000 -4.348 0.000) 4.348 19.253 ( -0.000 -7.040 0.000) 7.040 19.367 ( -0.000 -16.585 0.000) 16.585 19.589 ( -0.000 -9.764 0.000) 9.764 20.234 ( -0.000 -5.857 0.000) 5.857 20.373 ( -0.000 -7.735 0.000) 7.735 20.705 ( 0.000 18.477 -0.000) 18.477 20.935 ( 0.000 10.220 -0.000) 10.220 21.809 ( 0.000 8.551 -0.000) 8.551 21.906 ( 0.000 2.386 -0.000) 2.386 22.331 ( -0.000 -3.215 0.000) 3.215 22.499 ( 0.000 3.632 -0.000) 3.632 22.747 ( -0.000 -2.797 0.000) 2.797 23.110 ( 0.000 2.545 -0.000) 2.545 23.194 ( 0.000 4.086 -0.000) 4.086 23.641 ( -0.000 -2.641 0.000) 2.641 ======================= Grid point 24 (17/102) ======================= q-point: ( 0.18 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 102 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.657 ( 23.372 -0.000 -1.098) 23.398 0.786 ( 25.161 -0.000 0.028) 25.161 1.260 ( 10.796 -0.000 -8.893) 13.987 1.324 ( 13.333 -0.000 -0.147) 13.334 1.490 ( 45.263 -0.000 1.974) 45.306 1.903 ( 6.501 -0.000 7.503) 9.927 2.128 ( 14.558 -0.000 8.181) 16.700 2.344 ( 5.732 -0.000 -6.556) 8.709 2.452 ( 5.738 -0.000 -0.137) 5.740 2.532 ( 4.869 -0.000 -3.402) 5.940 2.735 ( 4.746 -0.000 -7.264) 8.677 2.745 ( 2.283 -0.000 4.587) 5.124 2.930 ( -8.154 0.000 -0.240) 8.158 2.977 ( 2.440 -0.000 1.503) 2.866 3.263 ( -11.827 0.000 5.156) 12.902 3.305 ( -2.608 0.000 -3.560) 4.413 3.399 ( -0.737 0.000 3.486) 3.563 3.489 ( 2.612 -0.000 -1.804) 3.174 3.550 ( -1.218 0.000 1.553) 1.974 3.723 ( -0.472 0.000 -3.268) 3.302 3.739 ( 2.934 -0.000 -5.822) 6.519 3.830 ( 1.024 -0.000 -1.981) 2.230 3.884 ( -1.361 0.000 3.289) 3.560 4.015 ( 0.566 -0.000 0.046) 0.568 4.174 ( -1.521 0.000 3.722) 4.021 4.368 ( -9.689 0.000 3.373) 10.259 4.502 ( -4.636 0.000 -1.408) 4.845 4.611 ( -5.686 0.000 -1.282) 5.829 4.760 ( -7.036 0.000 -1.806) 7.265 4.792 ( -3.682 0.000 1.297) 3.903 4.935 ( 1.017 -0.000 -0.583) 1.172 4.935 ( 2.082 -0.000 -4.634) 5.080 5.046 ( 7.229 -0.000 -1.925) 7.481 5.111 ( -10.321 0.000 6.257) 12.070 5.199 ( -3.459 0.000 -2.593) 4.323 5.231 ( -3.637 0.000 -0.811) 3.727 5.345 ( -2.984 0.000 -3.041) 4.261 5.394 ( -8.486 0.000 -2.910) 8.972 5.479 ( -7.263 0.000 4.860) 8.739 5.883 ( -0.453 0.000 4.920) 4.941 5.954 ( -1.503 0.000 1.068) 1.844 6.079 ( 3.896 -0.000 -6.474) 7.556 6.292 ( -7.581 0.000 -0.432) 7.593 6.522 ( -6.506 0.000 -1.661) 6.714 6.648 ( 15.747 -0.000 1.783) 15.847 6.770 ( 6.962 -0.000 -2.646) 7.448 7.025 ( -1.129 0.000 7.841) 7.922 7.085 ( 4.986 -0.000 -0.692) 5.034 7.347 ( 18.930 -0.000 -7.834) 20.487 7.738 ( 9.373 -0.000 -3.181) 9.898 7.970 ( 1.264 -0.000 4.116) 4.306 8.076 ( 3.561 -0.000 -11.700) 12.230 8.193 ( -5.411 0.000 -5.094) 7.431 8.382 ( -14.662 0.000 26.035) 29.880 8.632 ( -14.028 0.000 6.776) 15.578 8.683 ( 7.994 -0.000 -7.906) 11.244 8.984 ( -3.552 0.000 -1.544) 3.873 9.005 ( 0.981 -0.000 9.430) 9.481 9.247 ( 11.596 -0.000 -8.423) 14.332 9.735 ( 2.086 -0.000 10.045) 10.260 9.854 ( 11.209 -0.000 -7.726) 13.614 10.226 ( -7.304 0.000 -21.889) 23.075 10.332 ( -17.870 0.000 9.193) 20.096 10.428 ( 0.862 -0.000 5.858) 5.921 10.550 ( -7.508 0.000 2.939) 8.063 10.630 ( 1.783 -0.000 -15.771) 15.872 10.962 ( 4.987 -0.000 -4.453) 6.686 11.020 ( 4.663 -0.000 -0.444) 4.684 11.098 ( 8.412 -0.000 -11.960) 14.622 11.287 ( 4.937 -0.000 7.346) 8.851 11.489 ( 9.681 -0.000 0.928) 9.725 11.730 ( 7.020 -0.000 2.867) 7.583 12.139 ( -6.134 0.000 1.586) 6.335 12.213 ( -6.396 0.000 -0.281) 6.402 12.724 ( 14.148 -0.000 0.406) 14.154 12.892 ( -2.592 0.000 -0.986) 2.773 13.004 ( 4.364 -0.000 -1.476) 4.607 13.252 ( 9.274 -0.000 -2.784) 9.682 13.830 ( -4.461 0.000 0.368) 4.476 13.855 ( -3.709 0.000 -0.136) 3.711 16.181 ( -4.069 0.000 -23.504) 23.854 16.302 ( -7.886 0.000 12.553) 14.825 17.456 ( 7.570 -0.000 -0.728) 7.605 17.620 ( 6.063 -0.000 -2.478) 6.549 18.099 ( 9.267 -0.000 -0.470) 9.279 18.423 ( 4.692 -0.000 -7.923) 9.208 19.076 ( -16.642 0.000 6.544) 17.883 19.170 ( -13.403 0.000 -1.099) 13.448 19.849 ( 3.405 -0.000 -4.919) 5.982 19.952 ( 1.883 -0.000 7.003) 7.252 20.266 ( 2.997 -0.000 3.719) 4.776 20.639 ( 4.608 -0.000 2.622) 5.302 20.685 ( 10.015 -0.000 -1.664) 10.153 21.449 ( 20.555 -0.000 -50.606) 54.621 21.841 ( -9.672 0.000 24.996) 26.802 21.936 ( -0.534 0.000 8.648) 8.664 21.977 ( 5.577 -0.000 -0.040) 5.578 22.410 ( 1.707 -0.000 -1.434) 2.229 22.441 ( -0.545 0.000 0.216) 0.586 22.766 ( -7.386 0.000 3.891) 8.348 22.969 ( -3.999 0.000 -0.462) 4.026 23.001 ( -5.893 0.000 0.244) 5.898 ======================= Grid point 25 (18/102) ======================= q-point: ( 0.27 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.898 ( 19.200 -7.918 1.604) 20.831 1.058 ( 21.098 -9.587 0.638) 23.183 1.301 ( 9.109 2.046 -0.381) 9.344 1.537 ( 14.820 -9.083 -4.734) 18.015 1.888 ( 33.264 -6.631 -1.467) 33.950 1.955 ( 12.193 -0.245 4.468) 12.988 2.235 ( 10.352 -0.257 6.055) 11.995 2.318 ( 5.566 3.692 -7.419) 9.983 2.526 ( 6.117 -3.365 -1.843) 7.221 2.635 ( -0.211 -7.429 3.007) 8.017 2.699 ( -1.866 0.233 0.382) 1.919 2.859 ( 9.081 -4.869 -4.440) 11.220 2.894 ( -1.739 -0.190 2.135) 2.760 3.018 ( -0.446 -1.709 1.908) 2.600 3.174 ( -7.444 0.566 2.970) 8.034 3.267 ( -5.818 1.494 -1.867) 6.290 3.396 ( 3.269 1.549 2.528) 4.413 3.472 ( -0.510 3.854 -1.699) 4.243 3.537 ( -3.601 -2.487 2.155) 4.878 3.691 ( 0.278 0.772 -3.145) 3.251 3.779 ( -1.084 0.876 -2.278) 2.670 3.820 ( 2.279 -0.524 -4.176) 4.786 3.892 ( -0.968 -0.476 2.642) 2.854 3.960 ( -1.141 5.995 -1.253) 6.230 4.127 ( -4.841 4.033 5.610) 8.436 4.300 ( -3.636 1.566 1.211) 4.140 4.483 ( -5.365 -2.695 -0.477) 6.023 4.577 ( -5.665 0.910 1.312) 5.886 4.620 ( -4.988 6.003 -4.416) 8.967 4.714 ( 0.152 2.165 -1.742) 2.783 4.879 ( -3.712 2.168 1.529) 4.563 5.010 ( -7.584 3.465 4.694) 9.568 5.057 ( 3.496 -5.589 -1.883) 6.856 5.113 ( 3.292 -1.483 -1.419) 3.879 5.218 ( -4.049 2.369 -0.389) 4.707 5.239 ( -4.527 -2.692 -1.140) 5.389 5.249 ( -7.571 -3.623 -0.246) 8.397 5.387 ( -4.056 -4.206 -4.937) 7.649 5.459 ( -7.163 -2.247 3.830) 8.428 5.869 ( 1.953 2.861 2.683) 4.381 5.978 ( -1.520 -3.166 1.022) 3.657 6.112 ( 3.790 -1.192 -2.366) 4.624 6.246 ( -1.589 -1.124 -0.889) 2.140 6.451 ( -4.631 1.873 -1.184) 5.133 6.723 ( 12.314 3.001 1.675) 12.784 6.842 ( 6.975 -2.058 -3.206) 7.947 7.018 ( 2.177 1.068 3.182) 4.000 7.152 ( 0.273 -2.774 3.180) 4.229 7.461 ( 12.430 -0.273 -6.104) 13.850 7.820 ( 5.893 -1.257 -0.952) 6.100 7.975 ( 1.700 1.597 1.518) 2.783 8.037 ( 1.471 5.772 -4.790) 7.644 8.121 ( -5.356 1.199 -1.960) 5.828 8.314 ( -3.862 0.381 11.393) 12.036 8.523 ( -7.294 2.409 2.524) 8.086 8.653 ( -4.781 5.407 -2.618) 7.678 8.938 ( 0.927 1.898 4.393) 4.874 9.073 ( -3.689 -3.210 1.954) 5.267 9.332 ( 11.761 -1.274 -7.685) 14.106 9.678 ( 2.093 10.898 3.422) 11.613 9.885 ( 9.652 6.637 -7.440) 13.877 9.963 ( 0.421 8.983 -6.450) 11.067 10.252 ( -14.184 -1.239 4.892) 15.055 10.379 ( 0.648 4.372 3.580) 5.687 10.549 ( -4.448 -2.131 5.020) 7.037 10.623 ( 0.582 -1.623 -10.695) 10.833 10.898 ( 5.231 4.781 0.492) 7.104 11.046 ( 6.731 3.571 -5.299) 9.281 11.222 ( 5.605 -7.863 -0.691) 9.681 11.446 ( 4.695 -7.319 3.075) 9.223 11.539 ( 9.400 2.539 0.563) 9.753 11.751 ( 2.265 2.111 0.845) 3.210 12.103 ( -5.192 -0.159 0.479) 5.216 12.180 ( -4.587 -1.096 0.186) 4.720 12.780 ( 12.296 4.579 1.571) 13.215 12.853 ( 0.707 2.740 -1.968) 3.446 12.983 ( 4.071 5.161 -0.462) 6.589 13.144 ( 10.879 14.150 -0.616) 17.859 13.790 ( -7.028 1.095 0.156) 7.114 13.820 ( -4.214 1.829 0.014) 4.593 16.040 ( -4.759 4.082 -9.000) 10.969 16.262 ( -10.321 1.006 6.160) 12.061 17.464 ( 8.180 4.241 -0.074) 9.215 17.706 ( 6.156 -3.870 -1.852) 7.503 17.930 ( 12.167 10.130 0.737) 15.849 18.635 ( 2.973 -5.222 -4.299) 7.389 18.955 ( -11.173 2.029 2.641) 11.659 19.216 ( -17.681 -14.370 -0.509) 22.789 19.760 ( -0.101 9.640 -4.355) 10.579 19.848 ( -1.581 10.793 2.085) 11.105 20.123 ( 5.603 17.543 4.177) 18.884 20.496 ( 8.780 15.363 2.902) 17.931 20.904 ( 8.937 -9.962 0.083) 13.383 21.282 ( 18.832 7.732 -16.175) 26.001 21.775 ( -0.030 -4.833 10.277) 11.357 21.938 ( 2.849 0.534 -0.535) 2.948 22.378 ( 0.568 2.913 -1.483) 3.317 22.458 ( -1.880 -6.087 4.047) 7.547 22.516 ( -5.038 -17.253 -6.340) 19.059 22.785 ( -10.532 -10.044 1.686) 14.651 22.959 ( -5.251 -2.750 -0.533) 5.951 23.007 ( -6.424 -5.268 1.369) 8.420 ======================= Grid point 26 (19/102) ======================= q-point: ( 0.36 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.192 ( 11.168 -10.520 4.791) 16.073 1.322 ( 7.995 1.073 4.018) 9.012 1.409 ( 15.422 -13.182 1.750) 20.363 1.750 ( 14.038 -3.148 -10.362) 17.730 2.055 ( 11.921 -4.740 -1.466) 12.912 2.124 ( 5.554 1.210 -4.699) 7.375 2.328 ( 7.090 -3.643 4.021) 8.928 2.448 ( 17.955 -8.892 -3.641) 20.364 2.608 ( 5.360 0.228 -0.539) 5.392 2.687 ( -4.418 -3.135 6.339) 8.338 2.780 ( -6.374 -6.742 3.271) 9.837 2.881 ( 1.760 2.475 3.522) 4.651 2.984 ( 3.518 -2.962 1.015) 4.710 3.079 ( 2.867 -7.511 -5.983) 10.021 3.171 ( -1.259 -0.322 2.289) 2.633 3.181 ( -3.556 1.228 -0.650) 3.818 3.367 ( -1.019 3.799 -2.200) 4.507 3.408 ( 3.899 2.848 1.540) 5.068 3.565 ( -4.790 -3.064 -1.349) 5.844 3.678 ( 0.885 0.633 -0.546) 1.217 3.702 ( -1.935 4.037 0.861) 4.559 3.818 ( -2.343 6.433 -1.806) 7.080 3.857 ( 0.380 0.432 -2.509) 2.575 3.900 ( 0.248 -2.872 0.877) 3.013 4.028 ( -4.472 3.510 4.141) 7.033 4.218 ( -2.478 4.801 0.317) 5.412 4.411 ( -4.766 7.066 -0.501) 8.538 4.531 ( -2.224 0.658 -3.036) 3.821 4.567 ( -2.009 -2.899 0.826) 3.623 4.724 ( -4.078 -2.996 0.168) 5.063 4.825 ( -5.753 1.295 3.367) 6.790 4.931 ( -0.544 1.027 1.156) 1.640 5.054 ( -4.072 3.417 -5.061) 7.340 5.085 ( -4.160 1.507 2.871) 5.274 5.183 ( -6.920 -1.037 -0.173) 6.999 5.249 ( 2.575 -4.080 -4.329) 6.482 5.365 ( -0.020 -7.527 0.570) 7.548 5.456 ( -4.185 -6.398 -1.910) 7.880 5.467 ( -3.681 -3.438 3.230) 5.983 5.836 ( 2.625 2.813 0.647) 3.901 6.015 ( -2.377 -1.521 1.281) 3.099 6.162 ( 3.894 -1.650 0.712) 4.289 6.302 ( -0.038 -3.839 -1.644) 4.176 6.426 ( 3.900 -1.502 -1.714) 4.518 6.753 ( 10.637 3.358 1.679) 11.280 6.905 ( 3.715 -0.844 -3.075) 4.896 7.026 ( 2.787 0.875 0.897) 3.056 7.195 ( -0.433 -1.476 4.892) 5.128 7.493 ( 5.020 2.999 -3.134) 6.634 7.749 ( -0.649 11.587 1.726) 11.732 7.913 ( -2.219 4.514 -3.754) 6.277 7.939 ( -1.371 2.150 1.285) 2.855 8.146 ( 3.234 -3.283 1.267) 4.779 8.361 ( 1.616 -2.652 -1.412) 3.412 8.465 ( 1.703 3.524 -0.370) 3.931 8.475 ( -11.632 3.829 2.455) 12.489 8.894 ( -0.361 4.415 4.715) 6.469 9.066 ( -4.936 0.063 -0.579) 4.970 9.348 ( 4.224 9.733 -7.324) 12.893 9.514 ( 6.139 3.749 -0.643) 7.222 9.677 ( -3.258 12.301 0.169) 12.726 9.970 ( 9.161 1.058 -4.085) 10.086 10.209 ( -4.713 -0.552 4.937) 6.848 10.363 ( 0.769 -2.067 0.634) 2.295 10.567 ( -3.276 -2.301 5.663) 6.935 10.647 ( 0.694 -2.268 -6.771) 7.174 10.870 ( 5.302 3.128 0.397) 6.169 11.039 ( 4.511 1.463 -1.605) 5.007 11.376 ( 7.132 -4.106 -0.422) 8.241 11.532 ( 8.800 5.031 1.195) 10.207 11.580 ( 4.780 -1.057 0.675) 4.942 11.699 ( 0.858 3.791 -0.294) 3.898 12.071 ( -4.097 -0.130 0.112) 4.101 12.176 ( -2.898 -0.993 0.305) 3.078 12.707 ( 13.762 13.311 -0.287) 19.148 12.837 ( 8.769 4.620 0.101) 9.912 12.940 ( 0.400 1.689 0.201) 1.748 12.981 ( 0.902 6.174 -0.025) 6.239 13.697 ( -7.987 4.718 -0.392) 9.285 13.713 ( -4.731 4.167 0.623) 6.336 15.952 ( -4.612 0.716 -3.314) 5.724 16.156 ( -8.806 3.159 2.728) 9.745 17.468 ( 5.331 0.614 0.019) 5.367 17.805 ( 2.992 -3.261 -1.154) 4.574 17.950 ( 12.125 0.268 0.859) 12.158 18.626 ( 1.210 4.521 -1.361) 4.874 18.827 ( -8.424 4.947 1.372) 9.865 19.302 ( -9.239 -3.487 1.103) 9.937 19.539 ( -2.593 11.083 -3.386) 11.875 19.645 ( -0.684 8.924 0.144) 8.951 19.882 ( -0.897 9.745 -0.625) 9.806 20.260 ( 6.596 17.691 3.176) 19.146 21.129 ( 11.385 -5.761 0.992) 12.798 21.384 ( 11.994 -5.502 -5.692) 14.371 21.913 ( 0.576 -6.941 4.002) 8.033 21.966 ( 2.644 -1.789 0.864) 3.308 22.300 ( -0.953 4.780 -1.788) 5.192 22.531 ( -1.453 -3.082 6.580) 7.410 22.612 ( -0.304 -1.930 -6.347) 6.641 22.949 ( -7.405 -11.539 -3.149) 14.068 22.984 ( -8.960 -6.734 0.218) 11.210 23.077 ( -6.648 -6.784 2.454) 9.810 ======================= Grid point 27 (20/102) ======================= q-point: ( 0.45 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.378 ( 5.325 -5.943 -0.125) 7.981 1.487 ( 8.328 -8.628 4.694) 12.877 1.746 ( 10.186 -11.168 3.042) 15.418 1.823 ( 11.435 0.760 -8.833) 14.469 2.106 ( 0.009 -1.323 -2.137) 2.514 2.251 ( 5.005 -6.560 -1.830) 8.451 2.445 ( 2.005 -4.843 0.662) 5.283 2.548 ( 3.522 5.380 2.504) 6.901 2.682 ( -6.860 -0.342 4.792) 8.375 2.708 ( 3.451 -2.769 2.358) 5.014 2.812 ( -3.123 -1.843 0.566) 3.670 2.905 ( 7.119 -1.201 -1.389) 7.352 3.062 ( 4.637 -2.372 1.464) 5.411 3.127 ( -2.328 -0.130 -1.487) 2.765 3.205 ( -0.597 -2.514 0.911) 2.740 3.253 ( 4.555 -7.941 -4.124) 10.041 3.312 ( 1.768 2.222 -3.779) 4.727 3.378 ( 2.576 2.958 1.258) 4.119 3.568 ( -4.228 -1.282 -0.044) 4.418 3.644 ( 2.495 3.353 0.450) 4.204 3.672 ( -0.900 0.229 0.347) 0.992 3.731 ( -2.155 0.341 -2.889) 3.620 3.820 ( -4.078 0.156 4.562) 6.121 3.890 ( -2.726 4.607 1.896) 5.679 4.059 ( 3.300 -7.111 -2.461) 8.217 4.107 ( -3.597 5.205 -0.185) 6.330 4.277 ( -1.682 4.480 -0.263) 4.792 4.472 ( -3.186 2.930 -2.285) 4.894 4.571 ( -4.068 0.955 2.627) 4.936 4.735 ( -9.428 -3.462 -0.692) 10.067 4.770 ( -5.458 0.063 5.029) 7.422 4.946 ( 0.680 -1.209 0.218) 1.404 5.021 ( 3.860 -1.253 -7.575) 8.594 5.032 ( -4.002 0.207 2.302) 4.621 5.172 ( -6.471 -4.052 0.885) 7.686 5.332 ( 4.254 -2.280 -4.205) 6.402 5.439 ( -3.769 -3.120 3.306) 5.905 5.516 ( -3.276 -4.916 -0.596) 5.937 5.591 ( 5.316 -6.301 0.817) 8.284 5.812 ( 1.479 1.829 0.201) 2.361 5.996 ( -2.649 1.397 0.798) 3.100 6.219 ( 2.476 -1.071 3.320) 4.278 6.350 ( 0.181 -3.416 -4.782) 5.879 6.553 ( 8.751 -5.451 -1.369) 10.400 6.767 ( 8.972 3.657 2.563) 10.022 6.900 ( -0.359 2.464 -2.071) 3.239 7.025 ( 1.946 1.330 -0.703) 2.460 7.219 ( 0.587 0.873 5.712) 5.808 7.413 ( -2.409 6.111 -0.602) 6.596 7.510 ( 0.151 13.200 -2.132) 13.372 7.823 ( -3.088 1.935 -3.157) 4.822 7.901 ( -3.885 1.173 3.872) 5.609 8.175 ( -3.437 2.940 -1.874) 4.895 8.310 ( -0.484 3.252 -1.292) 3.532 8.383 ( 2.247 0.919 -0.863) 2.576 8.516 ( -1.871 -2.559 5.027) 5.943 8.827 ( 2.509 3.354 1.904) 4.601 9.019 ( -2.464 1.072 -2.413) 3.612 9.133 ( -1.066 10.898 -1.895) 11.113 9.417 ( -6.425 8.376 0.663) 10.577 9.591 ( 8.996 -0.130 -2.612) 9.369 9.979 ( 5.624 3.698 -0.309) 6.738 10.214 ( 1.325 -0.471 1.231) 1.869 10.455 ( -0.258 -7.008 -0.520) 7.032 10.613 ( -2.330 -3.577 4.631) 6.298 10.679 ( 0.989 -1.967 -4.122) 4.674 10.855 ( 3.924 2.726 1.178) 4.921 11.046 ( 0.842 -0.109 -0.460) 0.965 11.442 ( 3.959 5.721 0.069) 6.957 11.491 ( 8.369 3.254 -0.126) 8.980 11.528 ( 4.040 6.837 -1.241) 8.038 11.691 ( 7.301 3.039 1.416) 8.034 12.041 ( -3.059 0.649 -0.241) 3.137 12.156 ( -2.626 1.502 0.400) 3.052 12.582 ( 9.184 9.255 -0.186) 13.039 12.708 ( 8.737 13.545 -0.008) 16.118 12.959 ( -1.963 -4.698 -0.354) 5.104 13.002 ( 0.383 -4.568 0.426) 4.604 13.522 ( -6.276 7.660 -0.535) 9.917 13.614 ( -5.781 3.232 0.823) 6.674 15.920 ( -3.739 -0.836 -1.883) 4.269 16.051 ( -6.797 2.306 1.522) 7.338 17.513 ( 3.853 -1.580 0.022) 4.165 17.852 ( -2.193 -1.928 -0.712) 3.005 18.050 ( 8.947 -1.815 0.972) 9.180 18.532 ( 0.013 6.010 -2.107) 6.369 18.680 ( -2.120 6.637 1.944) 7.234 19.217 ( 0.119 6.843 3.541) 7.706 19.356 ( -0.591 7.392 -2.837) 7.940 19.531 ( 2.717 5.988 -0.209) 6.579 19.765 ( -11.296 -0.875 -4.249) 12.100 19.999 ( 0.414 14.154 3.414) 14.566 21.276 ( 14.068 -0.223 0.766) 14.090 21.562 ( 4.999 -7.492 -1.694) 9.165 22.008 ( 2.839 -3.314 -5.238) 6.818 22.048 ( -0.804 -3.813 6.825) 7.859 22.196 ( -2.399 4.580 -1.214) 5.311 22.519 ( -3.914 2.130 4.954) 6.663 22.696 ( 4.189 -6.242 -4.483) 8.753 22.993 ( -3.191 -1.986 -0.800) 3.843 23.106 ( -8.495 -10.317 -0.893) 13.394 23.148 ( -4.721 -5.731 1.676) 7.612 ======================= Grid point 28 (21/102) ======================= q-point: ( 0.55 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.533 ( 3.996 -4.950 -4.271) 7.662 1.657 ( 8.300 -4.514 -2.124) 9.684 1.855 ( 6.147 -2.487 -2.255) 7.003 1.994 ( -1.300 -7.006 10.208) 12.449 2.122 ( -1.356 -0.177 -1.546) 2.064 2.348 ( 0.406 -1.776 0.491) 1.887 2.421 ( 0.633 4.550 1.973) 5.000 2.576 ( -3.653 -2.115 1.484) 4.474 2.618 ( 5.794 2.946 -1.770) 6.737 2.709 ( -6.520 -1.128 1.903) 6.885 2.868 ( 1.432 -3.083 -1.153) 3.590 2.955 ( 7.154 -1.365 -2.805) 7.805 3.109 ( -2.311 -1.580 1.037) 2.985 3.131 ( 3.706 2.044 -0.500) 4.262 3.245 ( -2.736 -0.595 0.120) 2.802 3.291 ( 3.980 -0.082 -3.620) 5.380 3.325 ( 1.274 5.710 0.333) 5.860 3.377 ( -0.627 -2.894 -0.479) 3.000 3.574 ( 1.464 2.381 3.699) 4.636 3.592 ( 0.600 0.276 -0.325) 0.736 3.690 ( 4.549 -1.369 -5.422) 7.209 3.722 ( -7.331 -3.979 3.130) 8.909 3.777 ( -2.600 3.366 2.490) 4.929 3.886 ( -0.615 -5.260 1.227) 5.436 4.010 ( -3.017 0.865 -2.158) 3.809 4.156 ( -0.937 -1.266 -1.853) 2.433 4.263 ( -3.963 -2.238 1.443) 4.775 4.362 ( 0.711 2.809 -3.032) 4.194 4.549 ( -2.326 -0.396 1.793) 2.963 4.693 ( -12.450 -1.704 1.604) 12.669 4.774 ( -0.558 -1.520 3.051) 3.454 4.997 ( -2.868 -3.443 0.118) 4.482 5.031 ( 3.907 -0.561 -0.327) 3.961 5.074 ( 6.538 -1.856 -3.710) 7.743 5.230 ( -4.866 -5.257 1.511) 7.321 5.361 ( 0.122 -1.589 -4.942) 5.192 5.490 ( 2.519 -1.960 4.585) 5.586 5.553 ( -2.852 -1.580 -0.809) 3.360 5.723 ( 4.168 -3.131 -1.536) 5.434 5.788 ( 0.615 1.232 2.244) 2.633 5.958 ( 0.333 1.230 0.038) 1.275 6.247 ( 0.209 -0.253 3.651) 3.666 6.408 ( -0.064 -3.901 -5.797) 6.988 6.656 ( 5.747 2.146 -2.622) 6.671 6.763 ( -1.619 7.180 7.297) 10.364 6.817 ( 5.833 1.313 -2.677) 6.551 7.003 ( -1.294 1.180 0.055) 1.752 7.142 ( -3.411 7.377 1.832) 8.332 7.249 ( -0.386 10.027 -3.861) 10.751 7.366 ( -2.438 1.452 2.125) 3.545 7.789 ( -1.469 -0.657 -3.224) 3.603 7.855 ( -5.565 0.504 4.636) 7.260 8.050 ( -7.529 3.107 -1.619) 8.305 8.297 ( 4.424 2.234 -3.008) 5.797 8.348 ( 3.094 6.165 -0.996) 6.970 8.506 ( -3.625 0.137 4.302) 5.627 8.842 ( 1.906 -1.005 1.564) 2.663 8.991 ( 0.407 3.641 1.700) 4.039 9.007 ( 3.305 -0.990 -2.411) 4.209 9.283 ( -5.097 1.694 -0.450) 5.390 9.647 ( 8.441 0.926 -2.203) 8.772 9.930 ( 3.600 5.238 0.167) 6.358 10.242 ( 2.035 -0.805 0.793) 2.327 10.566 ( -2.591 -5.999 -2.930) 7.161 10.658 ( -2.974 -2.156 2.746) 4.587 10.721 ( 2.215 -2.170 -1.055) 3.276 10.847 ( 1.891 0.447 2.276) 2.992 11.044 ( -3.606 -0.565 -0.321) 3.664 11.286 ( -0.301 9.509 -0.642) 9.536 11.446 ( 6.694 6.822 -0.415) 9.566 11.511 ( 9.282 4.065 1.372) 10.226 11.648 ( 7.498 8.108 -0.607) 11.060 12.009 ( -1.444 0.631 -0.471) 1.644 12.084 ( -3.127 3.633 0.426) 4.812 12.520 ( 4.862 3.846 -0.260) 6.205 12.564 ( 3.325 7.329 0.175) 8.050 13.039 ( -1.300 -5.667 -1.550) 6.017 13.113 ( 2.689 -5.367 1.528) 6.195 13.348 ( -4.354 6.947 -0.793) 8.237 13.523 ( -5.033 2.236 1.026) 5.602 15.906 ( -2.747 -0.360 -1.946) 3.386 15.990 ( -4.509 0.005 1.682) 4.812 17.577 ( 4.024 -2.277 -0.002) 4.624 17.853 ( -5.730 -2.176 -0.212) 6.133 18.140 ( 4.255 -2.506 1.673) 5.214 18.412 ( -1.956 5.203 -4.054) 6.880 18.581 ( 4.238 6.283 2.008) 7.840 19.130 ( 2.264 5.672 7.620) 9.765 19.228 ( 2.538 7.022 -6.353) 9.804 19.479 ( 4.431 2.259 -0.434) 4.992 19.633 ( -3.925 8.714 -1.506) 9.675 19.861 ( -13.329 -4.009 1.033) 13.957 21.355 ( 14.295 3.252 0.630) 14.673 21.701 ( -0.000 -5.820 -0.173) 5.822 22.023 ( -1.591 3.625 -1.005) 4.085 22.087 ( 1.215 -2.418 -3.246) 4.226 22.150 ( -1.943 -1.304 2.938) 3.756 22.464 ( -2.390 1.876 3.011) 4.278 22.835 ( 3.943 -6.237 -2.787) 7.887 22.986 ( -2.119 0.643 0.253) 2.229 23.186 ( -5.655 -5.341 1.170) 7.866 23.244 ( -1.578 -6.867 -0.593) 7.071 ======================= Grid point 29 (22/102) ======================= q-point: (-0.36 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.533 ( 2.994 4.495 -3.444) 6.405 1.791 ( 4.594 -0.040 -0.590) 4.632 1.916 ( 1.269 -0.171 -6.037) 6.172 2.035 ( -6.804 -0.317 8.669) 11.025 2.055 ( -2.935 4.481 4.613) 7.069 2.310 ( 2.821 5.693 0.530) 6.375 2.395 ( 0.387 -2.015 0.597) 2.136 2.562 ( -0.190 4.310 -4.065) 5.928 2.646 ( -0.657 -6.665 0.262) 6.703 2.704 ( -1.186 -0.320 0.004) 1.229 2.920 ( 1.665 2.922 0.680) 3.432 3.018 ( -4.967 0.637 1.684) 5.283 3.086 ( 1.951 4.478 1.110) 5.009 3.126 ( -1.662 -3.213 -2.432) 4.359 3.160 ( 4.100 0.730 -2.773) 5.003 3.271 ( 2.170 0.247 -0.328) 2.209 3.304 ( 1.543 3.096 -1.370) 3.721 3.400 ( -3.434 -2.973 -0.448) 4.565 3.521 ( -1.939 1.563 2.141) 3.284 3.617 ( 1.639 0.265 0.605) 1.767 3.713 ( 2.519 1.918 1.361) 3.446 3.770 ( -0.059 -4.811 1.838) 5.150 3.787 ( 3.937 -1.564 -1.988) 4.679 3.934 ( -6.598 -2.435 0.060) 7.033 4.067 ( 3.093 -5.382 -2.665) 6.755 4.109 ( -3.815 3.602 0.558) 5.276 4.219 ( -7.036 -3.008 3.083) 8.249 4.430 ( 4.899 -2.336 -5.908) 8.022 4.546 ( -3.269 -0.591 0.705) 3.396 4.655 ( -8.723 -4.059 3.857) 10.365 4.823 ( 5.239 -1.405 0.373) 5.437 4.987 ( -1.341 0.676 -1.960) 2.469 5.113 ( 2.697 -2.708 4.218) 5.692 5.154 ( 4.695 -2.503 -2.035) 5.697 5.256 ( -2.330 -2.505 -3.194) 4.680 5.417 ( -0.491 -4.391 0.058) 4.418 5.499 ( 0.589 3.499 -0.307) 3.562 5.573 ( 0.107 -2.041 3.980) 4.474 5.708 ( -2.178 1.439 -3.408) 4.292 5.839 ( 3.641 -1.656 3.209) 5.128 5.951 ( 2.616 1.548 -1.620) 3.444 6.246 ( -1.226 0.743 2.174) 2.604 6.445 ( -2.531 -0.975 -4.049) 4.874 6.509 ( -1.517 12.040 2.270) 12.345 6.643 ( -0.781 2.153 -0.866) 2.448 6.783 ( -1.613 10.957 2.201) 11.292 6.976 ( -1.719 5.172 -2.588) 6.034 7.018 ( 2.220 -1.947 0.907) 3.089 7.132 ( -4.394 0.337 -1.722) 4.731 7.309 ( -1.887 4.633 1.918) 5.358 7.788 ( -1.176 0.631 -1.765) 2.213 7.853 ( -4.539 -4.236 2.610) 6.735 7.992 ( -4.497 -3.181 -0.198) 5.512 8.212 ( 0.527 8.621 -0.229) 8.640 8.259 ( 2.583 4.146 0.058) 4.885 8.545 ( 2.842 -3.741 -4.164) 6.278 8.864 ( -0.434 -1.382 3.433) 3.726 8.994 ( 0.029 -1.901 2.938) 3.500 9.106 ( 7.309 -4.501 0.207) 8.587 9.258 ( -2.537 -1.641 -2.136) 3.700 9.669 ( 6.751 2.518 -1.275) 7.317 9.858 ( 1.782 4.823 -0.752) 5.197 10.273 ( 2.239 -0.659 1.546) 2.799 10.600 ( -4.085 -1.641 -2.913) 5.279 10.638 ( -1.965 2.692 0.094) 3.335 10.790 ( -0.083 -3.952 2.864) 4.882 10.865 ( 0.436 0.030 0.163) 0.466 11.005 ( -6.003 0.339 -0.159) 6.015 11.150 ( 0.017 4.894 -0.346) 4.906 11.390 ( 3.778 3.299 1.882) 5.357 11.465 ( 6.776 9.625 -2.105) 11.958 11.555 ( 6.884 4.946 0.147) 8.478 11.997 ( -2.061 0.114 1.292) 2.435 12.020 ( -0.751 0.521 -1.499) 1.756 12.484 ( 0.882 3.955 0.352) 4.067 12.496 ( 2.007 2.088 -0.202) 2.903 13.112 ( -0.409 -1.628 -0.499) 1.751 13.210 ( -0.809 -3.001 1.607) 3.499 13.222 ( 0.025 2.655 -1.994) 3.321 13.498 ( -2.183 -3.105 1.001) 3.926 15.881 ( -2.520 0.346 -0.815) 2.671 15.990 ( -1.829 -1.915 0.670) 2.731 17.653 ( 5.481 -2.399 -0.115) 5.984 17.859 ( -7.104 -3.949 0.507) 8.143 18.204 ( 1.692 -1.137 1.356) 2.449 18.315 ( -1.649 3.475 -3.580) 5.255 18.521 ( 4.706 3.685 1.493) 6.160 19.012 ( -1.808 8.808 1.778) 9.166 19.169 ( 5.549 1.777 -0.985) 5.909 19.403 ( -0.143 8.189 -0.268) 8.194 19.589 ( 3.656 -5.161 -0.498) 6.345 19.881 ( -13.621 -8.251 0.217) 15.927 21.374 ( 13.093 5.953 0.338) 14.387 21.727 ( -6.147 1.968 -0.221) 6.458 21.966 ( -0.427 -0.900 0.197) 1.015 22.123 ( 1.003 -0.699 -2.810) 3.064 22.166 ( -1.209 -0.619 2.060) 2.467 22.444 ( -0.665 -0.788 1.089) 1.500 22.919 ( 0.452 2.577 -0.954) 2.785 22.973 ( 0.777 -4.013 -0.032) 4.087 23.238 ( -2.453 -3.543 0.790) 4.381 23.349 ( 0.282 -5.576 -0.357) 5.595 ======================= Grid point 30 (23/102) ======================= q-point: (-0.27 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.452 ( 0.693 5.464 -0.376) 5.520 1.606 ( -1.885 17.938 1.274) 18.082 1.783 ( -1.216 11.360 -1.381) 11.508 1.935 ( -0.093 6.916 0.751) 6.957 2.161 ( -1.218 -11.447 0.856) 11.544 2.208 ( -0.944 6.710 -0.086) 6.777 2.423 ( 2.843 5.586 0.487) 6.287 2.509 ( -4.009 -0.234 -1.200) 4.192 2.645 ( -2.564 3.797 1.534) 4.832 2.705 ( 1.083 11.001 -1.300) 11.131 2.762 ( 0.550 0.703 -0.672) 1.117 2.937 ( -2.493 -0.984 0.412) 2.712 3.117 ( -1.763 0.817 2.066) 2.837 3.183 ( -0.370 4.415 -0.248) 4.438 3.201 ( 1.952 -4.909 -2.028) 5.658 3.238 ( -1.110 -3.992 0.183) 4.148 3.337 ( 3.268 -2.067 -0.866) 3.963 3.439 ( 2.017 0.127 -2.768) 3.427 3.476 ( -4.238 -1.459 2.358) 5.064 3.647 ( 4.717 -1.122 1.162) 4.986 3.723 ( 3.566 2.628 0.237) 4.436 3.820 ( 2.695 -1.720 -3.039) 4.411 3.831 ( -0.053 -2.296 3.051) 3.819 3.913 ( -6.675 -1.299 -0.903) 6.860 4.043 ( -0.833 1.084 1.259) 1.859 4.144 ( 1.418 -0.401 -1.508) 2.108 4.272 ( -3.492 -5.877 3.370) 7.621 4.459 ( 1.207 -0.884 -4.531) 4.772 4.515 ( -4.242 0.029 1.715) 4.575 4.731 ( -1.857 -5.811 0.738) 6.145 4.880 ( 8.100 1.218 -1.266) 8.288 4.965 ( -1.109 0.726 -0.334) 1.367 5.145 ( -0.435 -0.551 1.288) 1.467 5.231 ( 1.633 -4.384 -0.212) 4.683 5.320 ( 3.643 -2.925 -2.174) 5.153 5.409 ( -2.775 1.945 -0.381) 3.410 5.493 ( 1.027 -0.914 1.846) 2.301 5.563 ( -5.082 2.101 2.966) 6.248 5.691 ( 1.042 -0.370 -2.450) 2.688 5.873 ( 1.479 2.638 6.672) 7.325 5.916 ( 0.402 1.052 -7.141) 7.229 6.221 ( -1.254 0.561 0.069) 1.375 6.307 ( -0.927 6.582 2.123) 6.978 6.401 ( -1.164 7.943 -0.455) 8.040 6.576 ( -1.121 5.649 0.966) 5.840 6.640 ( -2.619 -2.643 -2.224) 4.334 6.851 ( -2.583 6.493 0.015) 6.988 7.045 ( -0.641 -0.471 -0.378) 0.880 7.178 ( -1.787 -6.010 0.977) 6.345 7.195 ( -1.174 6.148 -0.223) 6.263 7.747 ( -2.390 0.851 -0.288) 2.553 7.946 ( -1.421 -7.664 -0.079) 7.795 8.082 ( -2.612 -1.767 9.858) 10.350 8.090 ( 2.146 -0.749 -8.935) 9.219 8.200 ( 1.373 4.205 0.300) 4.434 8.614 ( 1.801 -2.259 -2.896) 4.091 8.915 ( 1.306 -2.898 1.286) 3.430 9.051 ( 0.605 -3.407 1.539) 3.787 9.233 ( 3.790 -4.262 2.057) 6.063 9.278 ( -0.844 -2.210 -2.310) 3.307 9.656 ( 3.714 2.764 -0.829) 4.703 9.793 ( -0.296 2.539 -0.348) 2.579 10.302 ( 3.998 0.815 0.772) 4.152 10.530 ( -5.110 5.456 0.377) 7.485 10.583 ( -2.451 0.387 -0.721) 2.584 10.818 ( 0.653 1.972 2.694) 3.401 10.856 ( -0.354 0.135 -3.021) 3.045 10.992 ( -3.228 -3.259 0.801) 4.656 11.102 ( -0.750 0.553 -0.159) 0.946 11.304 ( 1.205 8.619 0.174) 8.705 11.410 ( 2.376 -1.510 -0.410) 2.845 11.557 ( 4.493 1.196 0.152) 4.652 11.984 ( -2.330 -1.214 0.633) 2.703 12.048 ( 1.018 -2.881 -0.936) 3.196 12.421 ( 0.026 3.667 0.282) 3.678 12.472 ( 0.499 1.682 -0.061) 1.756 13.069 ( -0.533 3.810 0.170) 3.851 13.157 ( -0.080 3.081 -0.216) 3.090 13.330 ( -0.190 -8.105 -0.426) 8.118 13.592 ( 0.346 -6.911 0.503) 6.938 15.859 ( -1.708 0.217 0.019) 1.722 16.022 ( -0.480 -2.439 -0.065) 2.487 17.743 ( 7.395 -2.200 -0.566) 7.736 17.887 ( -7.849 -5.141 1.324) 9.476 18.173 ( 0.615 6.233 0.033) 6.263 18.220 ( -0.554 6.226 -1.662) 6.468 18.578 ( 3.516 -6.792 1.486) 7.791 18.875 ( -2.951 2.908 -0.976) 4.256 19.205 ( 5.150 -0.581 0.431) 5.200 19.286 ( -4.337 2.504 0.145) 5.010 19.755 ( 8.308 -7.482 -0.473) 11.191 19.943 ( -11.019 -8.966 0.277) 14.209 21.342 ( 11.562 7.742 -0.044) 13.914 21.563 ( -9.487 8.564 -0.013) 12.780 22.030 ( 0.457 -4.217 0.369) 4.258 22.106 ( 0.127 2.601 -0.495) 2.651 22.160 ( -0.645 0.608 0.370) 0.960 22.492 ( 0.506 -4.335 -0.437) 4.387 22.827 ( -0.636 6.312 0.414) 6.357 23.061 ( 0.992 -3.991 -0.391) 4.131 23.275 ( -0.554 -1.593 0.287) 1.711 23.444 ( 1.111 -4.544 -0.054) 4.678 ======================= Grid point 31 (24/102) ======================= q-point: (-0.18 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 102 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.264 ( 0.000 17.206 -0.000) 17.206 1.315 ( 0.000 12.069 -0.000) 12.069 1.571 ( 0.000 10.066 -0.000) 10.066 1.805 ( 0.000 6.973 -0.000) 6.973 2.066 ( 0.000 8.819 -0.000) 8.819 2.239 ( 0.000 13.323 -0.000) 13.323 2.319 ( 0.000 13.745 -0.000) 13.745 2.389 ( -0.000 -11.083 0.000) 11.083 2.431 ( 0.000 16.530 -0.000) 16.530 2.686 ( -0.000 -3.305 0.000) 3.305 2.810 ( -0.000 -2.441 0.000) 2.441 2.916 ( 0.000 3.581 -0.000) 3.581 3.021 ( 0.000 7.389 -0.000) 7.389 3.109 ( 0.000 2.173 -0.000) 2.173 3.308 ( -0.000 -1.027 0.000) 1.027 3.314 ( -0.000 -3.703 0.000) 3.703 3.349 ( -0.000 -2.592 0.000) 2.592 3.403 ( 0.000 0.699 -0.000) 0.699 3.522 ( 0.000 2.103 -0.000) 2.103 3.693 ( -0.000 -2.808 0.000) 2.808 3.719 ( -0.000 -2.390 0.000) 2.390 3.863 ( -0.000 -2.113 0.000) 2.113 3.892 ( -0.000 -3.303 0.000) 3.303 3.908 ( -0.000 -2.165 0.000) 2.165 4.048 ( -0.000 -1.452 0.000) 1.452 4.133 ( 0.000 0.221 -0.000) 0.221 4.362 ( -0.000 -4.524 0.000) 4.524 4.493 ( -0.000 -3.553 0.000) 3.553 4.496 ( 0.000 1.586 -0.000) 1.586 4.769 ( 0.000 1.586 -0.000) 1.586 4.897 ( -0.000 -0.850 0.000) 0.850 4.930 ( 0.000 2.371 -0.000) 2.371 5.176 ( -0.000 -2.833 0.000) 2.833 5.307 ( 0.000 4.189 -0.000) 4.189 5.332 ( -0.000 -5.067 0.000) 5.067 5.389 ( 0.000 2.540 -0.000) 2.540 5.463 ( 0.000 1.756 -0.000) 1.756 5.573 ( -0.000 -5.606 0.000) 5.606 5.663 ( 0.000 4.428 -0.000) 4.428 5.806 ( 0.000 3.451 -0.000) 3.451 5.927 ( -0.000 -1.265 0.000) 1.265 6.211 ( 0.000 7.586 -0.000) 7.586 6.225 ( -0.000 -1.051 0.000) 1.051 6.238 ( 0.000 3.890 -0.000) 3.890 6.577 ( -0.000 -2.112 0.000) 2.112 6.640 ( 0.000 1.468 -0.000) 1.468 6.765 ( -0.000 -0.305 0.000) 0.305 7.071 ( -0.000 -2.751 0.000) 2.751 7.078 ( 0.000 5.199 -0.000) 5.199 7.283 ( -0.000 -5.691 0.000) 5.691 7.735 ( -0.000 -0.332 0.000) 0.332 8.032 ( 0.000 0.969 -0.000) 0.969 8.079 ( -0.000 -6.966 0.000) 6.966 8.128 ( 0.000 4.238 -0.000) 4.238 8.228 ( -0.000 -7.904 0.000) 7.904 8.645 ( -0.000 -1.453 0.000) 1.453 8.970 ( -0.000 -2.417 0.000) 2.417 9.103 ( -0.000 -0.745 0.000) 0.745 9.300 ( -0.000 -0.720 0.000) 0.720 9.319 ( -0.000 -3.723 0.000) 3.723 9.629 ( 0.000 1.444 -0.000) 1.444 9.773 ( -0.000 -0.356 0.000) 0.356 10.280 ( 0.000 3.141 -0.000) 3.141 10.385 ( 0.000 7.396 -0.000) 7.396 10.594 ( -0.000 -2.511 0.000) 2.511 10.799 ( 0.000 0.467 -0.000) 0.467 10.839 ( 0.000 0.234 -0.000) 0.234 11.030 ( -0.000 -0.310 0.000) 0.310 11.104 ( -0.000 -1.037 0.000) 1.037 11.217 ( 0.000 0.708 -0.000) 0.708 11.455 ( -0.000 -1.764 0.000) 1.764 11.560 ( 0.000 0.235 -0.000) 0.235 12.020 ( -0.000 -3.840 0.000) 3.840 12.123 ( -0.000 -5.028 0.000) 5.028 12.357 ( 0.000 3.426 -0.000) 3.426 12.443 ( 0.000 1.778 -0.000) 1.778 13.006 ( 0.000 2.810 -0.000) 2.810 13.105 ( 0.000 2.593 -0.000) 2.593 13.483 ( -0.000 -8.932 0.000) 8.932 13.723 ( -0.000 -7.173 0.000) 7.173 15.849 ( 0.000 0.116 -0.000) 0.116 16.066 ( -0.000 -2.663 0.000) 2.663 17.798 ( 0.000 0.867 -0.000) 0.867 17.944 ( -0.000 -2.679 0.000) 2.679 18.037 ( 0.000 5.431 -0.000) 5.431 18.077 ( 0.000 8.402 -0.000) 8.402 18.790 ( -0.000 -13.760 0.000) 13.760 18.885 ( -0.000 -5.367 0.000) 5.367 19.205 ( 0.000 1.652 -0.000) 1.652 19.307 ( -0.000 -5.565 0.000) 5.565 19.936 ( -0.000 -8.186 0.000) 8.186 20.058 ( -0.000 -9.395 0.000) 9.395 21.265 ( 0.000 8.036 -0.000) 8.036 21.310 ( 0.000 13.337 -0.000) 13.337 22.042 ( 0.000 4.234 -0.000) 4.234 22.054 ( 0.000 2.984 -0.000) 2.984 22.180 ( -0.000 -3.923 0.000) 3.923 22.586 ( -0.000 -5.511 0.000) 5.511 22.702 ( 0.000 7.074 -0.000) 7.074 23.119 ( -0.000 -2.120 0.000) 2.120 23.284 ( 0.000 0.507 -0.000) 0.507 23.525 ( -0.000 -3.856 0.000) 3.856 ======================= Grid point 36 (25/102) ======================= q-point: ( 0.27 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 102 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.995 ( 22.737 -0.000 -1.482) 22.785 1.136 ( 22.594 -0.000 -2.319) 22.713 1.420 ( 13.107 -0.000 -3.228) 13.499 1.542 ( 14.883 -0.000 1.715) 14.982 2.037 ( 6.682 -0.000 6.441) 9.281 2.085 ( 31.645 -0.000 1.190) 31.667 2.287 ( 1.637 -0.000 0.763) 1.806 2.404 ( 3.893 -0.000 -0.539) 3.930 2.491 ( 3.884 -0.000 1.782) 4.274 2.575 ( 2.031 -0.000 -7.781) 8.041 2.716 ( -1.130 0.000 -1.192) 1.642 2.835 ( 8.214 -0.000 -8.220) 11.620 2.901 ( 0.820 -0.000 4.707) 4.778 3.006 ( -1.560 0.000 6.725) 6.903 3.146 ( -4.486 0.000 5.993) 7.486 3.234 ( -4.123 0.000 -4.169) 5.863 3.420 ( 0.294 -0.000 5.915) 5.923 3.493 ( -0.718 0.000 -1.158) 1.362 3.526 ( -0.551 0.000 -1.824) 1.905 3.678 ( -3.096 0.000 -1.370) 3.386 3.749 ( 2.188 -0.000 -7.129) 7.457 3.880 ( 6.991 -0.000 -3.816) 7.965 3.885 ( -3.313 0.000 6.093) 6.935 4.004 ( -2.275 0.000 -2.854) 3.650 4.182 ( 0.475 -0.000 5.834) 5.853 4.248 ( -5.865 0.000 -0.725) 5.910 4.422 ( -5.938 0.000 1.402) 6.101 4.534 ( -3.512 0.000 -1.414) 3.786 4.618 ( -9.152 0.000 -3.366) 9.752 4.759 ( -2.060 0.000 1.182) 2.375 4.866 ( -7.687 0.000 3.224) 8.336 4.944 ( 0.245 -0.000 -0.237) 0.340 5.017 ( -5.067 0.000 -0.130) 5.069 5.133 ( -9.309 0.000 0.466) 9.321 5.155 ( -2.955 0.000 0.176) 2.960 5.181 ( 7.583 -0.000 -1.242) 7.684 5.266 ( -7.790 0.000 3.694) 8.622 5.269 ( -3.008 0.000 -4.931) 5.776 5.409 ( -3.489 0.000 -0.643) 3.547 5.930 ( 4.236 -0.000 2.916) 5.143 5.930 ( -2.712 0.000 2.160) 3.467 6.122 ( 2.720 -0.000 -2.329) 3.581 6.202 ( -1.281 0.000 -3.774) 3.985 6.418 ( -7.031 0.000 0.130) 7.032 6.847 ( 9.228 -0.000 4.163) 10.123 6.855 ( 6.689 -0.000 -5.047) 8.380 7.058 ( 2.988 -0.000 3.027) 4.254 7.135 ( 1.918 -0.000 1.172) 2.247 7.533 ( 10.370 -0.000 -6.878) 12.444 7.839 ( 3.883 -0.000 -4.388) 5.859 8.010 ( 0.264 -0.000 5.348) 5.354 8.073 ( 0.821 -0.000 0.918) 1.232 8.090 ( -3.619 0.000 -9.513) 10.178 8.303 ( -7.193 0.000 14.377) 16.076 8.463 ( -12.358 0.000 6.415) 13.924 8.700 ( -0.818 0.000 -6.098) 6.153 8.981 ( 3.225 -0.000 -2.222) 3.917 9.004 ( -4.988 0.000 5.893) 7.721 9.393 ( 11.632 -0.000 -7.463) 13.820 9.788 ( -2.412 0.000 7.528) 7.905 9.996 ( 11.647 -0.000 -5.717) 12.975 10.015 ( -11.153 0.000 -8.828) 14.224 10.135 ( -10.913 0.000 8.130) 13.608 10.467 ( 0.211 -0.000 4.419) 4.424 10.488 ( -3.244 0.000 3.952) 5.113 10.613 ( 5.466 -0.000 -13.714) 14.763 11.011 ( 3.615 -0.000 -2.536) 4.416 11.087 ( 4.540 -0.000 -0.052) 4.541 11.210 ( 11.523 -0.000 -4.936) 12.536 11.400 ( 6.063 -0.000 6.709) 9.043 11.633 ( 7.946 -0.000 2.806) 8.427 11.773 ( -0.813 0.000 -2.359) 2.495 12.071 ( -3.201 0.000 -0.295) 3.214 12.138 ( -3.571 0.000 0.912) 3.685 12.832 ( 0.837 -0.000 0.859) 1.199 12.845 ( -3.513 0.000 -0.715) 3.585 13.158 ( 14.421 -0.000 1.329) 14.482 13.365 ( 7.727 -0.000 -3.424) 8.452 13.766 ( -4.290 0.000 0.747) 4.354 13.788 ( -5.141 0.000 -0.197) 5.145 16.005 ( -9.413 0.000 -9.871) 13.640 16.176 ( -14.012 0.000 8.031) 16.151 17.610 ( 11.657 -0.000 1.205) 11.720 17.707 ( 6.808 -0.000 -1.982) 7.091 18.233 ( 8.661 -0.000 0.860) 8.704 18.462 ( 4.239 -0.000 -4.832) 6.428 18.879 ( -12.612 0.000 3.369) 13.054 18.976 ( -12.190 0.000 -1.076) 12.237 19.846 ( -0.620 0.000 -4.006) 4.053 19.960 ( -2.874 0.000 2.875) 4.065 20.301 ( 0.111 -0.000 2.528) 2.530 20.743 ( 6.467 -0.000 5.409) 8.431 20.835 ( 10.163 -0.000 -1.743) 10.312 21.530 ( 14.343 -0.000 -33.109) 36.082 21.805 ( -7.677 0.000 18.739) 20.250 21.969 ( 1.519 -0.000 2.981) 3.346 22.076 ( 7.584 -0.000 -0.054) 7.585 22.431 ( -1.018 0.000 1.368) 1.705 22.434 ( 2.246 -0.000 -0.812) 2.389 22.687 ( -5.143 0.000 3.253) 6.085 22.896 ( -5.387 0.000 -0.794) 5.445 22.903 ( -7.244 0.000 0.076) 7.245 ======================= Grid point 37 (26/102) ======================= q-point: ( 0.36 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.168 ( 15.493 -2.766 1.831) 15.844 1.366 ( 20.682 -7.194 -2.851) 22.083 1.448 ( 9.465 4.168 2.332) 10.602 1.740 ( 13.659 -6.860 -2.027) 15.419 2.090 ( 8.238 -0.472 0.465) 8.265 2.210 ( 1.861 4.486 -3.941) 6.254 2.324 ( 5.048 -3.337 3.998) 7.253 2.455 ( 10.597 -2.657 -1.301) 11.002 2.574 ( -2.714 -5.616 2.526) 6.730 2.616 ( 2.716 -4.783 -4.365) 7.022 2.699 ( 4.832 2.233 -0.320) 5.333 2.890 ( -1.919 -1.580 3.482) 4.278 2.974 ( 5.525 -5.842 -3.713) 8.857 3.005 ( 1.391 0.717 5.995) 6.196 3.147 ( -0.678 -0.617 4.473) 4.566 3.184 ( -2.626 1.192 -3.224) 4.326 3.442 ( -2.742 0.532 -0.760) 2.894 3.460 ( -2.080 2.209 0.597) 3.092 3.499 ( 5.453 1.230 0.870) 5.657 3.673 ( -1.163 -0.730 -1.932) 2.371 3.737 ( -3.048 2.021 -1.803) 4.077 3.859 ( 1.664 -1.527 -0.226) 2.270 3.907 ( 0.346 2.697 -2.698) 3.831 3.922 ( 0.660 5.131 -1.560) 5.403 4.093 ( -1.945 5.702 3.960) 7.209 4.267 ( -1.805 1.891 -0.018) 2.614 4.403 ( -4.279 -2.915 1.248) 5.326 4.524 ( -5.522 1.193 -1.842) 5.942 4.527 ( -1.266 -0.142 -1.737) 2.154 4.698 ( -1.897 3.045 0.608) 3.639 4.795 ( -7.249 0.407 4.984) 8.807 4.953 ( -2.034 1.724 -1.090) 2.881 5.028 ( -11.837 2.273 -1.633) 12.163 5.089 ( -1.470 -9.484 -0.774) 9.629 5.116 ( -5.312 -0.234 0.462) 5.337 5.141 ( -5.757 3.345 2.479) 7.105 5.278 ( -5.402 -5.965 -0.480) 8.062 5.345 ( 10.981 -3.317 -3.278) 11.930 5.388 ( -3.856 -1.690 0.986) 4.324 5.923 ( 2.225 3.230 2.420) 4.609 5.949 ( -2.881 -2.508 1.461) 4.089 6.156 ( 2.823 -3.276 -2.355) 4.924 6.234 ( 1.435 -1.849 -2.134) 3.167 6.392 ( -2.140 -2.699 -0.140) 3.447 6.872 ( 7.616 1.930 -1.786) 8.057 6.918 ( 4.637 -0.174 1.602) 4.909 7.079 ( 4.866 1.224 -0.087) 5.018 7.168 ( 0.351 -1.836 2.835) 3.396 7.565 ( 5.025 1.854 -4.895) 7.256 7.826 ( -5.417 1.346 -0.214) 5.586 7.976 ( -4.611 2.494 -1.616) 5.486 8.003 ( -0.192 5.909 -0.945) 5.987 8.120 ( 4.903 -2.289 2.668) 6.033 8.317 ( -0.264 -2.806 4.658) 5.444 8.396 ( -9.884 -0.650 3.413) 10.477 8.593 ( -3.044 7.817 -1.820) 8.584 8.974 ( 2.362 2.802 0.350) 3.681 9.000 ( -6.156 -1.984 0.713) 6.506 9.460 ( 8.886 0.296 -7.075) 11.362 9.672 ( -5.824 8.865 3.373) 11.131 9.836 ( -7.722 8.713 -2.432) 11.894 10.053 ( 10.112 1.274 -3.602) 10.809 10.143 ( -1.524 -3.225 3.988) 5.351 10.394 ( 0.284 3.921 1.411) 4.177 10.522 ( -2.980 -1.832 5.314) 6.362 10.637 ( 6.092 -0.379 -7.935) 10.012 10.975 ( 4.476 3.977 0.126) 5.989 11.114 ( 4.141 2.515 -1.309) 5.019 11.333 ( 9.976 -5.336 -0.807) 11.342 11.545 ( 6.203 -6.856 3.602) 9.923 11.665 ( 5.909 2.801 1.844) 6.795 11.737 ( -2.119 1.541 -3.227) 4.157 12.048 ( -2.035 0.348 -0.541) 2.134 12.134 ( -2.260 -1.328 0.794) 2.739 12.823 ( -2.735 -1.172 -0.798) 3.080 12.856 ( -0.524 -2.225 0.527) 2.346 13.127 ( 11.913 13.590 0.796) 18.090 13.301 ( 10.597 12.531 -0.940) 16.438 13.683 ( -7.222 2.496 0.045) 7.642 13.754 ( -4.862 2.429 0.186) 5.438 15.906 ( -8.526 0.621 -4.107) 9.484 16.098 ( -13.225 -0.660 3.588) 13.719 17.609 ( 10.138 6.878 0.316) 12.255 17.787 ( 5.141 -2.048 -0.664) 5.574 18.123 ( 13.201 8.163 0.242) 15.523 18.649 ( 0.774 -3.996 -2.309) 4.680 18.819 ( -8.342 0.644 2.045) 8.613 18.971 ( -15.071 -13.596 -0.249) 20.299 19.716 ( -3.098 11.119 -2.458) 11.801 19.828 ( -2.051 10.557 1.570) 10.868 20.167 ( 0.882 14.180 -0.853) 14.233 20.649 ( 8.260 15.640 4.440) 18.236 21.022 ( 6.766 -10.648 -0.415) 12.623 21.465 ( 14.194 4.413 -12.822) 19.631 21.807 ( -1.063 -5.017 8.574) 9.990 21.979 ( 2.545 0.458 0.760) 2.695 22.377 ( 0.361 3.313 -2.022) 3.899 22.427 ( -1.378 -18.072 -2.514) 18.298 22.481 ( 0.371 -3.489 0.874) 3.616 22.680 ( -5.704 -3.364 3.068) 7.298 22.877 ( -5.212 -2.665 -1.066) 5.950 22.913 ( -6.702 -6.184 1.038) 9.178 ======================= Grid point 38 (27/102) ======================= q-point: ( 0.45 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.314 ( 3.095 -4.457 5.034) 7.401 1.456 ( 7.022 -0.650 3.644) 7.938 1.674 ( 19.488 -9.322 -2.602) 21.759 1.907 ( 11.120 -1.985 -6.530) 13.048 2.107 ( -1.803 4.150 -5.376) 7.027 2.197 ( 7.441 -3.979 -2.424) 8.780 2.395 ( 0.534 -2.815 3.762) 4.729 2.554 ( -5.722 -5.030 2.914) 8.157 2.638 ( -6.342 -4.123 3.112) 8.180 2.699 ( 3.585 1.387 2.039) 4.352 2.761 ( 8.577 -2.545 -0.811) 8.983 2.894 ( -1.458 -2.265 1.818) 3.250 3.048 ( 5.450 -2.667 2.684) 6.635 3.107 ( -5.537 -0.444 0.839) 5.617 3.144 ( 6.039 -6.136 -5.296) 10.108 3.199 ( 3.990 -0.515 1.212) 4.202 3.377 ( 4.860 3.593 -3.979) 7.236 3.432 ( -8.523 -1.406 0.252) 8.642 3.523 ( 6.041 1.615 0.859) 6.312 3.628 ( -5.468 1.814 1.191) 5.883 3.691 ( -1.470 0.613 -1.774) 2.384 3.804 ( 0.269 4.266 -1.938) 4.693 3.845 ( -0.463 5.436 1.074) 5.560 3.968 ( 4.604 -5.407 -2.795) 7.632 3.987 ( 0.603 5.534 4.028) 6.871 4.179 ( -2.993 5.122 0.055) 5.932 4.358 ( -1.599 4.954 -0.847) 5.275 4.479 ( -3.812 -0.358 0.240) 3.836 4.555 ( 0.555 -0.296 -3.900) 3.950 4.630 ( -7.885 0.506 2.732) 8.360 4.757 ( -4.217 0.597 6.967) 8.166 4.889 ( -10.194 -0.377 -0.988) 10.248 4.984 ( 1.755 -2.735 -2.212) 3.930 5.045 ( -3.378 1.602 -0.235) 3.746 5.073 ( -6.224 -1.456 -1.479) 6.561 5.250 ( 0.492 -6.630 -3.687) 7.602 5.357 ( -2.904 -5.359 0.163) 6.098 5.393 ( -4.569 -4.695 4.294) 7.833 5.528 ( 10.670 -6.213 -1.215) 12.406 5.879 ( 2.360 3.436 0.892) 4.263 5.964 ( -4.789 -1.752 1.045) 5.206 6.234 ( 0.506 -0.224 2.832) 2.886 6.266 ( 1.784 -5.077 -5.357) 7.593 6.495 ( 4.781 -6.192 -0.344) 7.831 6.879 ( 5.013 2.331 -2.819) 6.205 6.939 ( 3.625 1.623 3.832) 5.519 7.081 ( 4.004 2.229 -2.115) 5.047 7.213 ( 0.195 -2.203 3.541) 4.174 7.506 ( -1.226 5.811 -2.572) 6.472 7.698 ( -6.059 8.280 1.328) 10.346 7.847 ( -3.936 4.358 -3.515) 6.844 7.941 ( 0.701 3.444 4.058) 5.368 8.190 ( 0.628 0.150 -0.687) 0.943 8.329 ( -3.721 0.990 -2.771) 4.744 8.380 ( -1.253 -0.502 1.228) 1.825 8.466 ( -2.547 0.138 3.970) 4.719 8.922 ( 0.431 4.265 2.661) 5.046 8.988 ( -2.466 -1.288 -2.964) 4.065 9.353 ( -0.920 12.895 -1.964) 13.076 9.560 ( -1.398 8.473 -1.759) 8.766 9.632 ( 0.189 2.198 -0.633) 2.295 10.074 ( 5.005 2.473 0.263) 5.589 10.208 ( 3.333 -1.896 -0.303) 3.847 10.380 ( 1.854 -1.537 -0.140) 2.412 10.547 ( -3.327 -2.596 6.125) 7.438 10.674 ( 5.449 -0.503 -4.910) 7.352 10.943 ( 3.598 3.272 0.351) 4.876 11.079 ( 1.284 3.217 0.184) 3.468 11.490 ( 8.360 -3.803 0.476) 9.197 11.602 ( 0.500 5.462 -1.095) 5.593 11.680 ( 7.355 3.110 -0.487) 8.000 11.726 ( 3.332 -3.405 0.805) 4.832 12.027 ( -1.547 0.434 -0.134) 1.612 12.139 ( -2.667 -0.776 0.198) 2.784 12.841 ( 0.981 -0.806 -1.861) 2.253 12.911 ( 3.535 -0.129 1.864) 3.999 12.932 ( 3.142 9.852 0.221) 10.344 13.087 ( 9.104 18.641 0.129) 20.746 13.576 ( -7.557 4.032 -0.490) 8.579 13.643 ( -4.839 4.532 0.510) 6.649 15.854 ( -6.301 -1.570 -1.313) 6.625 16.020 ( -9.452 0.360 1.009) 9.512 17.577 ( 8.337 3.809 0.048) 9.166 17.822 ( -0.510 -0.066 -0.226) 0.562 18.145 ( 13.199 2.540 0.384) 13.447 18.625 ( -0.492 4.238 -2.000) 4.712 18.731 ( -5.272 2.301 1.767) 6.018 19.135 ( -12.097 -12.199 1.074) 17.214 19.483 ( -3.159 9.580 -1.096) 10.147 19.630 ( -1.425 9.255 1.994) 9.574 19.883 ( 1.293 16.268 -4.690) 16.980 20.375 ( 6.198 20.791 2.921) 21.891 21.261 ( 5.844 -9.929 0.755) 11.546 21.537 ( 11.244 -1.615 -4.444) 12.197 21.930 ( 0.202 -6.491 1.994) 6.794 22.005 ( 1.499 -1.422 2.777) 3.461 22.273 ( -1.675 6.000 -1.460) 6.398 22.531 ( -1.561 0.100 4.576) 4.836 22.606 ( 3.044 -6.034 -6.713) 9.526 22.806 ( -9.184 -14.161 1.755) 16.969 22.911 ( -2.373 -4.774 -1.947) 5.676 22.996 ( -5.694 -7.190 1.940) 9.375 ======================= Grid point 39 (28/102) ======================= q-point: ( 0.55 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.425 ( 1.347 -6.985 -0.318) 7.121 1.583 ( 2.431 -6.928 4.904) 8.829 1.929 ( 12.512 -0.834 -3.418) 12.997 1.947 ( 8.540 0.129 -3.579) 9.261 2.067 ( -2.890 -3.262 -1.845) 4.733 2.289 ( 2.618 -3.580 -1.903) 4.826 2.451 ( -1.554 -1.403 3.795) 4.334 2.580 ( -10.088 -4.201 3.558) 11.492 2.619 ( -0.720 3.867 5.003) 6.364 2.694 ( 3.187 1.681 -1.640) 3.959 2.808 ( -0.528 -4.076 -0.418) 4.131 2.999 ( 8.496 -2.134 -3.226) 9.335 3.064 ( -3.796 -0.382 1.498) 4.099 3.146 ( 0.277 -3.695 1.718) 4.084 3.233 ( 3.925 0.645 -0.306) 3.990 3.265 ( -2.468 -3.529 -1.095) 4.444 3.363 ( 6.582 1.813 -5.797) 8.957 3.417 ( 2.750 1.196 0.958) 3.149 3.544 ( 3.206 -1.545 -1.127) 3.733 3.589 ( -7.175 -3.650 0.921) 8.103 3.677 ( -2.711 -0.453 2.108) 3.464 3.726 ( 2.986 5.939 -1.877) 6.907 3.787 ( -2.343 0.051 1.876) 3.002 3.869 ( -1.223 4.286 0.554) 4.491 4.036 ( -3.764 5.208 1.509) 6.601 4.145 ( 7.383 -4.414 -1.735) 8.775 4.239 ( -2.769 4.807 -0.529) 5.573 4.431 ( -2.682 6.216 -1.091) 6.858 4.500 ( -6.636 -2.445 1.095) 7.156 4.598 ( -5.970 -0.353 -0.668) 6.017 4.753 ( -0.074 -1.139 4.152) 4.306 4.889 ( -5.769 -5.049 1.271) 7.771 5.024 ( 0.750 -1.838 -0.347) 2.015 5.070 ( 3.965 -2.757 -3.824) 6.160 5.105 ( -1.561 -5.863 -0.787) 6.118 5.298 ( -4.608 -2.204 -2.779) 5.816 5.435 ( -1.177 -4.924 3.527) 6.170 5.486 ( -0.276 -5.291 0.554) 5.327 5.701 ( 8.971 -4.367 -1.575) 10.101 5.841 ( 1.173 2.727 2.873) 4.132 5.951 ( -3.124 -0.586 -1.316) 3.440 6.247 ( -1.792 -1.919 3.296) 4.214 6.345 ( 2.716 -1.867 -4.631) 5.684 6.637 ( 3.238 -5.289 -0.532) 6.224 6.855 ( 1.591 1.409 -1.964) 2.893 6.927 ( 4.701 5.501 5.196) 8.908 7.043 ( 1.454 3.333 -2.936) 4.674 7.251 ( 0.784 2.521 2.432) 3.589 7.340 ( -5.791 5.654 -0.706) 8.124 7.481 ( -2.355 11.668 -0.657) 11.921 7.774 ( -1.875 1.165 -1.585) 2.718 7.889 ( 0.434 3.783 3.324) 5.055 8.071 ( -7.370 6.015 -1.755) 9.673 8.333 ( 3.571 -0.401 -4.455) 5.723 8.383 ( -1.248 -1.387 2.241) 2.916 8.489 ( -3.884 -0.684 3.902) 5.548 8.859 ( -1.477 2.259 2.295) 3.543 9.016 ( 4.963 -1.613 -3.705) 6.400 9.126 ( 0.026 10.190 -0.500) 10.203 9.335 ( -5.046 9.196 1.086) 10.545 9.686 ( 5.075 -1.903 -2.501) 5.970 10.042 ( 2.331 4.190 0.858) 4.871 10.247 ( 2.365 -0.357 0.145) 2.396 10.457 ( 2.317 -4.846 -2.588) 5.963 10.584 ( -4.579 -2.945 5.582) 7.797 10.721 ( 5.552 -1.215 -3.244) 6.544 10.908 ( 2.141 3.052 0.927) 3.841 11.025 ( -3.002 2.036 0.289) 3.639 11.457 ( 0.185 9.070 -0.807) 9.108 11.580 ( 4.695 2.247 2.043) 5.591 11.653 ( 9.149 4.249 -3.194) 10.582 11.791 ( 4.608 1.452 1.598) 5.089 12.008 ( -0.848 0.634 0.195) 1.077 12.110 ( -3.645 1.736 -0.292) 4.047 12.705 ( 6.876 12.379 0.031) 14.160 12.800 ( 3.287 15.953 0.040) 16.288 12.922 ( -1.888 -5.389 -0.969) 5.791 13.029 ( 2.153 -5.839 1.146) 6.328 13.430 ( -5.220 6.133 -0.678) 8.082 13.542 ( -3.977 3.543 0.680) 5.370 15.854 ( -3.614 -2.349 -0.961) 4.416 15.959 ( -5.426 0.232 0.697) 5.475 17.596 ( 6.799 0.458 -0.033) 6.815 17.793 ( -5.274 0.222 0.008) 5.279 18.184 ( 7.633 2.074 0.952) 7.967 18.504 ( -1.621 6.998 -2.481) 7.599 18.682 ( 0.696 2.484 0.879) 2.725 19.210 ( -2.597 -3.053 4.443) 5.984 19.339 ( -0.564 6.477 -0.677) 6.537 19.536 ( -3.440 -0.830 0.070) 3.539 19.627 ( -2.285 9.704 -5.243) 11.264 20.036 ( 1.965 20.657 1.963) 20.843 21.448 ( 7.731 -5.045 1.056) 9.291 21.625 ( 4.692 -2.020 -1.691) 5.381 22.026 ( 2.390 -3.185 -4.888) 6.305 22.055 ( -1.795 -2.199 6.133) 6.758 22.151 ( -2.893 4.488 -0.659) 5.380 22.492 ( -1.765 2.331 2.157) 3.634 22.743 ( 4.219 -6.604 -2.811) 8.326 22.932 ( -5.318 -5.866 0.493) 7.934 23.018 ( -2.249 -8.079 -0.646) 8.411 23.093 ( -3.529 -7.788 0.921) 8.600 ======================= Grid point 40 (29/102) ======================= q-point: ( 0.64 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.556 ( 1.136 -4.564 -2.099) 5.150 1.732 ( 2.131 -7.328 0.776) 7.670 1.922 ( 5.670 1.348 -7.060) 9.155 2.002 ( -4.162 -0.072 10.551) 11.342 2.095 ( -0.763 0.315 -1.464) 1.681 2.357 ( 1.206 0.979 -1.092) 1.898 2.468 ( 5.627 -0.365 -1.453) 5.823 2.550 ( -2.256 0.326 3.098) 3.847 2.602 ( -6.938 -5.078 1.340) 8.702 2.666 ( 0.439 4.306 0.005) 4.328 2.912 ( 5.522 -5.033 -2.560) 7.898 2.994 ( -2.344 0.282 -0.137) 2.364 3.104 ( 1.419 2.515 0.258) 2.899 3.166 ( 3.509 -0.142 0.620) 3.567 3.222 ( -0.065 1.489 -0.586) 1.601 3.279 ( -7.021 -3.431 0.106) 7.815 3.355 ( 0.384 5.800 0.133) 5.815 3.373 ( 4.593 2.770 -2.470) 5.905 3.567 ( -3.372 3.721 0.799) 5.085 3.617 ( 1.378 -1.027 0.808) 1.899 3.675 ( 0.395 -3.624 2.945) 4.687 3.737 ( 2.426 -6.250 -3.488) 7.557 3.763 ( -0.543 2.021 0.342) 2.121 3.852 ( -2.587 -2.562 0.880) 3.746 4.011 ( 2.887 -3.173 -0.853) 4.374 4.138 ( -0.506 2.370 -2.703) 3.630 4.176 ( -6.432 4.143 4.291) 8.772 4.400 ( 5.190 -3.193 -4.154) 7.374 4.513 ( -6.397 -4.492 2.140) 8.104 4.546 ( -4.131 1.644 0.620) 4.489 4.813 ( 3.737 -3.190 0.488) 4.938 4.938 ( -4.236 -3.374 0.812) 5.476 5.082 ( 1.251 -4.204 1.771) 4.730 5.139 ( 2.133 -2.239 -2.634) 4.062 5.196 ( 1.404 -1.017 1.318) 2.178 5.314 ( -2.774 -6.473 -4.033) 8.115 5.518 ( -0.925 -4.035 2.598) 4.887 5.537 ( 0.233 0.000 0.501) 0.553 5.746 ( 1.511 2.997 -2.805) 4.374 5.853 ( 3.663 -0.996 4.560) 5.934 5.951 ( -0.912 -1.580 -2.513) 3.106 6.285 ( 2.275 0.252 5.995) 6.418 6.356 ( -2.861 -2.296 -6.776) 7.705 6.673 ( -0.688 1.635 -0.655) 1.891 6.768 ( 0.316 14.546 1.699) 14.648 6.907 ( 4.353 -4.078 -0.617) 5.996 6.992 ( 0.605 4.543 3.903) 6.020 7.068 ( -5.497 8.552 -3.333) 10.699 7.237 ( 0.129 10.493 -1.441) 10.592 7.352 ( -0.604 0.467 1.455) 1.643 7.765 ( -0.509 -1.545 -1.166) 2.001 7.838 ( 0.777 3.062 2.943) 4.318 7.936 ( -5.776 2.013 -1.829) 6.384 8.326 ( 0.872 2.690 -0.880) 2.961 8.375 ( 1.604 6.809 -0.803) 7.041 8.470 ( -2.355 -4.002 1.251) 4.809 8.839 ( -1.358 -0.680 1.472) 2.115 9.010 ( 0.557 3.368 0.718) 3.489 9.097 ( 7.136 -2.727 -1.093) 7.717 9.210 ( -4.704 0.869 -0.225) 4.788 9.733 ( 3.616 0.103 -1.160) 3.799 9.967 ( 1.131 5.650 0.048) 5.762 10.268 ( 0.713 -0.871 0.870) 1.423 10.550 ( 3.223 -3.341 -4.768) 6.654 10.604 ( -5.836 -2.677 4.858) 8.051 10.766 ( 2.863 -0.176 -0.922) 3.013 10.887 ( 2.587 1.029 0.904) 2.927 10.969 ( -5.153 0.691 -0.087) 5.200 11.285 ( 0.232 9.456 -0.263) 9.462 11.509 ( 2.132 6.744 0.331) 7.080 11.640 ( 5.632 4.719 -0.177) 7.349 11.736 ( 3.871 8.385 -0.100) 9.236 11.993 ( -0.746 0.653 0.700) 1.214 12.034 ( -2.601 2.557 -0.731) 3.720 12.576 ( 2.294 6.306 0.064) 6.711 12.597 ( 1.004 8.085 -0.021) 8.148 13.017 ( -0.617 -6.322 -0.829) 6.406 13.152 ( 1.414 -5.201 1.144) 5.510 13.295 ( -1.855 5.544 -0.783) 5.898 13.467 ( -2.444 1.727 0.546) 3.042 15.864 ( -1.541 -0.743 -0.841) 1.906 15.944 ( -2.003 -1.555 0.713) 2.634 17.656 ( 6.228 -1.662 -0.117) 6.447 17.758 ( -6.723 -1.622 0.202) 6.919 18.202 ( 2.409 -0.096 1.266) 2.723 18.371 ( -1.255 5.495 -2.362) 6.112 18.634 ( 1.861 4.433 0.517) 4.836 19.178 ( -0.510 9.018 5.946) 10.814 19.255 ( 4.184 2.983 -4.549) 6.863 19.531 ( -0.248 -1.815 -1.070) 2.121 19.560 ( -1.116 -0.748 -1.324) 1.886 19.721 ( -5.616 10.096 1.413) 11.639 21.548 ( 10.687 2.316 0.758) 10.961 21.668 ( -4.616 -2.881 -0.607) 5.475 21.993 ( -1.512 4.099 -0.195) 4.374 22.093 ( 1.070 -2.427 -2.409) 3.583 22.136 ( -1.328 -2.161 2.163) 3.334 22.450 ( -0.774 1.529 1.064) 2.017 22.874 ( 2.278 -5.817 -1.442) 6.411 22.962 ( -1.261 -0.022 0.412) 1.327 23.128 ( -2.283 -6.640 0.519) 7.041 23.225 ( -0.669 -7.963 -0.173) 7.992 ======================= Grid point 41 (30/102) ======================= q-point: (-0.27 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 102 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.549 ( 0.000 4.411 -0.000) 4.411 1.828 ( 0.000 3.308 -0.000) 3.308 1.914 ( 0.000 3.212 -0.000) 3.212 1.996 ( -0.000 -4.132 0.000) 4.132 2.041 ( 0.000 4.523 -0.000) 4.523 2.330 ( 0.000 4.665 -0.000) 4.665 2.409 ( -0.000 -0.283 0.000) 0.283 2.547 ( 0.000 6.530 -0.000) 6.530 2.664 ( -0.000 -4.100 0.000) 4.100 2.671 ( -0.000 -5.683 0.000) 5.683 2.952 ( 0.000 4.738 -0.000) 4.738 2.967 ( 0.000 6.137 -0.000) 6.137 3.102 ( 0.000 6.031 -0.000) 6.031 3.102 ( -0.000 -7.110 0.000) 7.110 3.192 ( 0.000 0.954 -0.000) 0.954 3.307 ( 0.000 3.499 -0.000) 3.499 3.309 ( -0.000 -1.922 0.000) 1.922 3.341 ( -0.000 -3.397 0.000) 3.397 3.514 ( 0.000 1.987 -0.000) 1.987 3.640 ( -0.000 -1.280 0.000) 1.280 3.753 ( -0.000 -0.875 0.000) 0.875 3.768 ( -0.000 -4.281 0.000) 4.281 3.836 ( -0.000 -3.597 0.000) 3.597 3.856 ( 0.000 1.650 -0.000) 1.650 4.079 ( 0.000 3.225 -0.000) 3.225 4.121 ( -0.000 -2.046 0.000) 2.046 4.135 ( -0.000 -7.105 0.000) 7.105 4.473 ( -0.000 -2.408 0.000) 2.408 4.487 ( 0.000 2.546 -0.000) 2.546 4.602 ( -0.000 -7.207 0.000) 7.207 4.904 ( -0.000 -4.039 0.000) 4.039 4.946 ( 0.000 0.228 -0.000) 0.228 5.159 ( 0.000 0.741 -0.000) 0.741 5.181 ( -0.000 -0.722 0.000) 0.722 5.206 ( -0.000 -7.480 0.000) 7.480 5.418 ( -0.000 -2.461 0.000) 2.461 5.520 ( 0.000 0.055 -0.000) 0.055 5.558 ( 0.000 0.183 -0.000) 0.183 5.692 ( 0.000 1.701 -0.000) 1.701 5.883 ( -0.000 -0.251 0.000) 0.251 5.964 ( 0.000 0.608 -0.000) 0.608 6.249 ( 0.000 3.540 -0.000) 3.540 6.403 ( -0.000 -2.643 0.000) 2.643 6.504 ( 0.000 12.711 -0.000) 12.711 6.632 ( 0.000 1.641 -0.000) 1.641 6.773 ( 0.000 14.908 -0.000) 14.908 6.953 ( 0.000 5.142 -0.000) 5.142 7.047 ( -0.000 -7.256 0.000) 7.256 7.089 ( 0.000 5.360 -0.000) 5.360 7.301 ( 0.000 5.148 -0.000) 5.148 7.778 ( 0.000 3.411 -0.000) 3.411 7.822 ( -0.000 -5.130 0.000) 5.130 7.956 ( -0.000 -5.787 0.000) 5.787 8.212 ( 0.000 8.574 -0.000) 8.574 8.279 ( 0.000 3.943 -0.000) 3.943 8.555 ( -0.000 -4.679 0.000) 4.679 8.868 ( -0.000 -2.640 0.000) 2.640 9.000 ( -0.000 -1.683 0.000) 1.683 9.192 ( -0.000 -3.344 0.000) 3.344 9.210 ( -0.000 -3.245 0.000) 3.245 9.722 ( 0.000 2.528 -0.000) 2.528 9.868 ( 0.000 5.483 -0.000) 5.483 10.298 ( -0.000 -1.889 0.000) 1.889 10.567 ( 0.000 1.467 -0.000) 1.467 10.612 ( 0.000 1.263 -0.000) 1.263 10.799 ( -0.000 -3.653 0.000) 3.653 10.879 ( 0.000 2.475 -0.000) 2.475 10.943 ( -0.000 -0.680 0.000) 0.680 11.150 ( 0.000 5.256 -0.000) 5.256 11.423 ( 0.000 2.930 -0.000) 2.930 11.507 ( 0.000 11.988 -0.000) 11.988 11.624 ( 0.000 4.330 -0.000) 4.330 11.973 ( 0.000 0.662 -0.000) 0.662 12.016 ( -0.000 -0.901 0.000) 0.901 12.491 ( 0.000 4.198 -0.000) 4.198 12.513 ( 0.000 2.947 -0.000) 2.947 13.107 ( -0.000 -1.775 0.000) 1.775 13.198 ( 0.000 0.856 -0.000) 0.856 13.227 ( -0.000 -0.801 0.000) 0.801 13.483 ( -0.000 -4.600 0.000) 4.600 15.858 ( 0.000 0.297 -0.000) 0.297 15.976 ( -0.000 -2.431 0.000) 2.431 17.735 ( -0.000 -2.734 0.000) 2.734 17.766 ( -0.000 -3.720 0.000) 3.720 18.227 ( -0.000 -0.625 0.000) 0.625 18.289 ( 0.000 3.241 -0.000) 3.241 18.562 ( 0.000 3.226 -0.000) 3.226 18.998 ( 0.000 10.297 -0.000) 10.297 19.221 ( 0.000 1.235 -0.000) 1.235 19.390 ( 0.000 9.977 -0.000) 9.977 19.678 ( -0.000 -5.921 0.000) 5.921 19.717 ( -0.000 -9.649 0.000) 9.649 21.514 ( 0.000 6.019 -0.000) 6.019 21.641 ( 0.000 3.817 -0.000) 3.817 21.964 ( -0.000 -2.023 0.000) 2.023 22.125 ( -0.000 -0.591 0.000) 0.591 22.160 ( -0.000 -0.633 0.000) 0.633 22.442 ( -0.000 -1.143 0.000) 1.143 22.919 ( 0.000 3.982 -0.000) 3.982 22.980 ( -0.000 -5.229 0.000) 5.229 23.220 ( -0.000 -4.271 0.000) 4.271 23.351 ( -0.000 -6.287 0.000) 6.287 ======================= Grid point 48 (31/102) ======================= q-point: ( 0.36 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 102 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.300 ( 18.952 -0.000 -2.732) 19.148 1.421 ( 17.510 -0.000 -5.090) 18.234 1.588 ( 9.063 -0.000 2.352) 9.363 1.746 ( 9.443 -0.000 4.849) 10.615 2.125 ( 2.208 -0.000 0.913) 2.389 2.256 ( -2.097 0.000 -1.436) 2.542 2.305 ( -1.475 0.000 4.582) 4.813 2.433 ( -0.815 0.000 -3.313) 3.412 2.520 ( -3.529 0.000 2.244) 4.182 2.650 ( 18.809 -0.000 -7.457) 20.233 2.753 ( 0.980 -0.000 -4.136) 4.251 2.888 ( 3.640 -0.000 -0.296) 3.652 2.941 ( 2.077 -0.000 5.204) 5.604 3.007 ( -2.383 0.000 7.310) 7.688 3.165 ( -1.919 0.000 -4.466) 4.861 3.181 ( 4.800 -0.000 3.366) 5.863 3.369 ( -10.082 0.000 3.621) 10.713 3.541 ( 4.612 -0.000 -6.053) 7.610 3.561 ( 7.947 -0.000 3.497) 8.683 3.645 ( 0.407 -0.000 -0.726) 0.832 3.742 ( 0.598 -0.000 -5.564) 5.596 3.825 ( -5.279 0.000 5.207) 7.416 3.898 ( -7.366 0.000 -4.604) 8.686 4.002 ( 8.472 -0.000 -2.363) 8.795 4.196 ( -1.770 0.000 -2.079) 2.730 4.243 ( 3.776 -0.000 6.031) 7.116 4.350 ( -4.532 0.000 2.394) 5.125 4.478 ( -7.613 0.000 -0.960) 7.673 4.515 ( 1.945 -0.000 -3.136) 3.690 4.721 ( -4.049 0.000 2.074) 4.550 4.815 ( 0.195 -0.000 0.527) 0.562 4.925 ( -14.401 0.000 1.714) 14.503 4.942 ( -3.712 0.000 -2.746) 4.617 4.949 ( -2.824 0.000 -2.257) 3.615 5.103 ( -3.598 0.000 -1.485) 3.892 5.141 ( -4.379 0.000 1.394) 4.595 5.144 ( -12.091 0.000 8.117) 14.563 5.372 ( -1.225 0.000 -0.131) 1.232 5.399 ( 14.185 -0.000 -5.565) 15.238 5.873 ( -7.163 0.000 5.055) 8.767 6.019 ( 6.692 -0.000 -0.652) 6.723 6.091 ( -2.517 0.000 -2.650) 3.654 6.272 ( 9.274 -0.000 -3.837) 10.036 6.318 ( -6.983 0.000 1.973) 7.257 6.923 ( 5.335 -0.000 -5.178) 7.435 6.972 ( 5.672 -0.000 5.620) 7.985 7.128 ( 4.764 -0.000 -0.966) 4.861 7.158 ( 0.523 -0.000 1.944) 2.013 7.607 ( 3.457 -0.000 -4.433) 5.622 7.782 ( -8.038 0.000 0.668) 8.066 7.939 ( -6.878 0.000 -4.862) 8.423 8.081 ( 2.387 -0.000 -0.325) 2.409 8.140 ( 4.964 -0.000 3.724) 6.205 8.283 ( -4.071 0.000 8.635) 9.547 8.339 ( -4.606 0.000 1.012) 4.715 8.652 ( -1.847 0.000 -3.842) 4.263 8.929 ( -7.152 0.000 3.211) 7.839 9.022 ( 3.230 -0.000 -2.581) 4.135 9.502 ( 6.853 -0.000 -6.636) 9.539 9.684 ( -12.538 0.000 5.260) 13.597 9.847 ( -7.529 0.000 -3.259) 8.204 10.125 ( 4.406 -0.000 5.920) 7.380 10.145 ( 9.099 -0.000 -3.790) 9.857 10.466 ( -0.948 0.000 0.039) 0.949 10.470 ( -1.888 0.000 3.370) 3.862 10.669 ( 6.483 -0.000 -5.468) 8.481 11.044 ( 1.744 -0.000 -0.659) 1.864 11.153 ( 4.132 -0.000 0.387) 4.150 11.386 ( 13.641 -0.000 -1.951) 13.780 11.516 ( 5.980 -0.000 4.550) 7.514 11.713 ( -4.239 0.000 -4.515) 6.193 11.725 ( 1.990 -0.000 3.232) 3.795 12.046 ( 0.340 -0.000 -1.441) 1.480 12.110 ( -1.303 0.000 1.169) 1.750 12.784 ( -4.130 0.000 -0.572) 4.169 12.822 ( -1.498 0.000 0.290) 1.526 13.355 ( 9.987 -0.000 1.934) 10.172 13.454 ( 6.301 -0.000 -2.877) 6.926 13.705 ( -5.832 0.000 -0.095) 5.833 13.717 ( -2.752 0.000 1.046) 2.944 15.837 ( -8.680 0.000 -3.802) 9.476 15.997 ( -12.327 0.000 3.634) 12.851 17.775 ( 9.162 -0.000 1.135) 9.232 17.795 ( 5.715 -0.000 -1.094) 5.819 18.363 ( 8.210 -0.000 1.566) 8.358 18.501 ( 3.138 -0.000 -3.157) 4.451 18.736 ( -8.232 0.000 2.220) 8.526 18.800 ( -10.952 0.000 -1.050) 11.002 19.814 ( -1.634 0.000 -1.730) 2.379 19.914 ( -3.786 0.000 0.863) 3.884 20.299 ( -0.917 0.000 0.455) 1.024 20.857 ( 5.216 -0.000 5.512) 7.589 20.951 ( 6.131 -0.000 -1.325) 6.273 21.581 ( 8.498 -0.000 -21.896) 23.487 21.780 ( -4.945 0.000 13.247) 14.140 22.004 ( 1.838 -0.000 1.103) 2.144 22.186 ( 6.687 -0.000 -0.718) 6.725 22.434 ( 0.361 -0.000 3.386) 3.405 22.468 ( 2.624 -0.000 -0.555) 2.682 22.643 ( -2.018 0.000 0.593) 2.103 22.794 ( -7.462 0.000 0.463) 7.477 22.810 ( -5.495 0.000 -0.837) 5.558 ======================= Grid point 49 (32/102) ======================= q-point: ( 0.45 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.349 ( 7.628 3.483 0.752) 8.419 1.560 ( 5.634 5.440 2.892) 8.348 1.645 ( 16.483 -8.697 -5.656) 19.476 1.894 ( 6.303 -5.609 3.165) 9.011 2.147 ( -1.623 -0.295 -2.743) 3.201 2.205 ( 3.800 1.768 -2.818) 5.051 2.332 ( -5.283 -3.612 4.930) 8.078 2.454 ( -0.703 -1.999 -0.643) 2.214 2.518 ( -3.070 -3.456 -0.332) 4.635 2.724 ( -2.466 -0.248 -2.767) 3.715 2.816 ( 16.296 -3.006 -3.838) 17.009 2.868 ( -1.838 2.085 7.488) 7.987 3.021 ( -3.379 -3.351 2.409) 5.334 3.043 ( 4.897 -3.457 0.328) 6.003 3.136 ( 1.130 1.190 -3.271) 3.659 3.229 ( 5.994 -0.605 1.647) 6.246 3.303 ( -13.592 -1.810 3.727) 14.209 3.488 ( 5.251 5.176 -4.681) 8.734 3.618 ( 1.521 1.409 4.415) 4.877 3.646 ( 1.079 2.191 -2.090) 3.214 3.696 ( 0.192 1.859 -3.093) 3.614 3.810 ( -7.157 1.268 -1.840) 7.498 3.899 ( 5.553 -4.890 1.512) 7.552 4.003 ( 6.067 5.828 -2.780) 8.860 4.094 ( -0.573 5.577 2.279) 6.052 4.254 ( 1.142 4.219 -0.502) 4.399 4.377 ( -1.469 -3.324 3.586) 5.106 4.422 ( -6.364 0.362 -2.234) 6.754 4.542 ( 2.772 -1.003 -1.440) 3.281 4.670 ( -2.421 4.394 -0.110) 5.018 4.751 ( 0.172 1.479 1.939) 2.445 4.803 ( -14.028 0.160 1.238) 14.084 4.933 ( -0.877 -2.174 -2.909) 3.736 5.001 ( -9.958 1.070 2.729) 10.381 5.048 ( -3.518 1.078 -0.249) 3.688 5.117 ( 0.868 -8.790 -0.864) 8.875 5.208 ( -3.726 -7.122 0.893) 8.087 5.339 ( -2.600 1.450 1.506) 3.336 5.528 ( 13.203 -3.766 -3.616) 14.198 5.859 ( -8.650 -2.983 5.447) 10.648 5.987 ( 3.717 4.385 -1.805) 6.025 6.159 ( -0.256 -4.862 -3.792) 6.172 6.247 ( -0.156 -0.024 1.789) 1.796 6.411 ( 4.210 -6.209 -1.059) 7.576 6.932 ( 3.263 1.650 -3.849) 5.309 7.013 ( 5.325 1.083 4.858) 7.288 7.139 ( 3.237 1.531 -1.647) 3.941 7.182 ( -0.142 -1.573 1.804) 2.398 7.581 ( -0.066 3.630 -2.468) 4.390 7.721 ( -7.235 1.040 1.630) 7.489 7.867 ( -5.107 1.965 -4.285) 6.950 8.041 ( 2.132 4.713 2.983) 5.971 8.191 ( 1.333 -0.860 1.929) 2.497 8.287 ( -4.609 -1.757 0.313) 4.943 8.349 ( 2.590 -2.106 1.572) 3.690 8.544 ( -2.819 7.999 -0.280) 8.486 8.911 ( -5.429 -2.010 0.520) 5.812 9.013 ( 2.909 2.569 -1.612) 4.202 9.508 ( -1.141 5.322 -1.366) 5.612 9.587 ( -2.783 -0.512 -0.969) 2.991 9.727 ( -5.299 7.456 -0.202) 9.150 10.150 ( 3.487 2.208 2.849) 5.015 10.214 ( 7.143 -1.437 -2.822) 7.813 10.410 ( 1.875 2.459 -0.522) 3.136 10.496 ( -3.374 -1.731 4.168) 5.635 10.703 ( 5.096 -0.009 -3.333) 6.089 11.020 ( 1.414 3.075 0.246) 3.394 11.159 ( 2.268 3.033 0.282) 3.798 11.494 ( 11.096 -2.660 0.029) 11.411 11.636 ( 2.808 -4.171 1.760) 5.327 11.668 ( -1.717 -0.638 -2.853) 3.391 11.737 ( 0.664 -0.257 1.274) 1.459 12.041 ( 1.432 0.921 -0.574) 1.797 12.108 ( -1.948 -0.443 0.367) 2.031 12.774 ( -2.970 -2.264 -0.600) 3.782 12.840 ( -1.222 -3.023 0.349) 3.279 13.278 ( 7.983 13.541 -0.028) 15.719 13.440 ( 7.911 10.672 0.123) 13.285 13.582 ( -6.094 3.863 -0.235) 7.219 13.683 ( -4.715 3.206 0.408) 5.716 15.780 ( -6.095 -0.924 -1.400) 6.322 15.939 ( -8.689 -1.425 1.324) 8.904 17.743 ( 7.568 6.655 0.015) 10.077 17.839 ( 1.637 1.217 -0.030) 2.040 18.317 ( 12.775 5.347 0.458) 13.857 18.636 ( -1.189 -2.191 -1.735) 3.037 18.710 ( -9.490 0.616 0.552) 9.526 18.793 ( -6.735 -13.670 0.912) 15.266 19.664 ( -2.533 12.279 -0.952) 12.573 19.807 ( -1.429 8.830 1.200) 9.025 20.163 ( -0.236 13.307 -1.780) 13.428 20.760 ( 4.359 15.049 2.892) 15.932 21.095 ( 3.339 -10.482 -0.358) 11.006 21.585 ( 7.839 -0.325 -7.868) 11.111 21.820 ( -1.178 -5.341 5.402) 7.687 22.016 ( 1.700 0.166 0.881) 1.922 22.370 ( 0.110 0.105 -2.375) 2.380 22.413 ( 0.221 -8.257 -0.979) 8.318 22.506 ( 1.834 -3.542 1.746) 4.355 22.632 ( -2.245 -0.400 1.521) 2.741 22.805 ( -3.471 -4.072 -1.170) 5.477 22.825 ( -5.353 -7.141 0.967) 8.977 ======================= Grid point 50 (33/102) ======================= q-point: ( 0.55 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.348 ( 0.140 -1.242 1.870) 2.249 1.541 ( 2.639 -0.286 1.482) 3.040 1.911 ( 10.702 -9.235 -4.773) 14.920 2.000 ( 4.251 -1.147 3.209) 5.448 2.074 ( 1.073 4.472 -6.045) 7.595 2.253 ( 1.333 -2.935 -0.371) 3.245 2.357 ( -8.566 -3.576 4.195) 10.186 2.496 ( 0.294 -2.483 1.754) 3.054 2.597 ( 3.357 -4.750 -3.006) 6.548 2.708 ( -9.341 -2.269 1.935) 9.806 2.802 ( 4.025 4.525 2.258) 6.464 2.996 ( 10.040 -3.982 -1.954) 10.976 3.025 ( -3.410 -1.378 1.955) 4.165 3.105 ( 1.304 -1.262 -0.009) 1.815 3.165 ( -3.581 -3.520 -1.245) 5.173 3.250 ( -2.996 -1.455 1.133) 3.518 3.353 ( 3.705 -7.643 -0.530) 8.510 3.456 ( 7.295 3.025 -3.839) 8.781 3.543 ( -6.538 3.502 3.476) 8.191 3.613 ( 3.941 3.469 -1.951) 5.601 3.649 ( -3.443 1.273 0.284) 3.681 3.777 ( -1.308 -0.348 -0.588) 1.476 3.861 ( 0.416 7.927 0.669) 7.966 3.953 ( 0.090 5.460 -0.786) 5.517 4.104 ( 2.151 -2.335 0.390) 3.199 4.166 ( 6.595 5.539 2.225) 8.896 4.321 ( -4.659 4.680 -2.985) 7.247 4.412 ( -4.031 -1.166 1.124) 4.344 4.543 ( -2.674 7.284 0.542) 7.778 4.569 ( 0.740 -0.670 -1.417) 1.733 4.749 ( -5.109 -2.489 1.880) 5.986 4.770 ( 0.631 -0.505 2.746) 2.862 4.956 ( -3.653 -6.399 -3.384) 8.108 5.006 ( -0.530 -2.036 -0.080) 2.105 5.016 ( -1.340 -2.824 -0.128) 3.129 5.251 ( 0.900 -1.300 -1.929) 2.494 5.329 ( -0.433 -6.446 -0.364) 6.471 5.348 ( -3.333 -8.302 3.302) 9.536 5.692 ( 10.664 -4.627 -2.257) 11.842 5.857 ( -7.605 -2.065 4.948) 9.305 5.937 ( 1.973 3.001 -2.552) 4.406 6.183 ( -2.952 -2.232 -0.367) 3.720 6.325 ( 3.090 -3.783 -0.795) 4.949 6.547 ( 2.032 -6.333 -0.054) 6.652 6.897 ( 0.640 2.880 -1.605) 3.359 7.037 ( 4.707 1.651 4.625) 6.802 7.106 ( 0.661 3.411 -3.536) 4.957 7.223 ( -0.294 -3.029 1.361) 3.334 7.462 ( -2.237 8.404 -1.119) 8.769 7.624 ( -3.412 6.167 0.732) 7.086 7.792 ( -1.530 2.368 -1.457) 3.174 7.985 ( 2.534 4.396 2.446) 5.633 8.135 ( -4.701 5.500 -0.668) 7.266 8.320 ( 1.729 -2.491 -2.485) 3.921 8.381 ( 0.417 2.662 0.765) 2.801 8.439 ( -2.374 -2.012 2.473) 3.975 8.892 ( -2.462 1.585 0.457) 2.964 9.004 ( 2.624 -0.756 -1.478) 3.105 9.321 ( -1.972 11.246 0.526) 11.430 9.512 ( -2.183 12.032 -0.483) 12.238 9.649 ( 1.105 -3.930 -1.061) 4.218 10.118 ( 1.015 3.199 0.890) 3.472 10.265 ( 2.866 -0.148 -0.898) 3.007 10.421 ( 3.821 -1.434 -2.070) 4.576 10.516 ( -3.726 -2.428 4.383) 6.244 10.735 ( 3.598 -0.736 -2.049) 4.206 10.967 ( -0.233 3.178 0.440) 3.216 11.089 ( 0.294 5.293 0.259) 5.308 11.578 ( 0.734 3.874 -1.088) 4.090 11.628 ( 5.642 -0.994 2.193) 6.134 11.716 ( -1.133 -1.174 -2.726) 3.177 11.793 ( 3.107 -2.865 1.244) 4.405 12.033 ( 1.875 1.481 0.601) 2.464 12.094 ( -3.020 -0.201 -0.509) 3.070 12.818 ( -1.326 -4.423 -0.521) 4.647 12.907 ( -0.464 -4.582 0.297) 4.615 13.037 ( 4.829 17.740 0.134) 18.386 13.187 ( 3.599 19.354 0.332) 19.689 13.485 ( -3.636 4.193 -0.364) 5.561 13.587 ( -2.416 3.676 0.256) 4.406 15.779 ( -2.790 -2.705 -0.304) 3.898 15.917 ( -3.931 -1.051 0.201) 4.074 17.695 ( 7.294 4.350 -0.081) 8.493 17.785 ( -4.386 2.854 0.077) 5.234 18.316 ( 8.027 5.450 0.535) 9.717 18.590 ( -2.531 3.383 -1.774) 4.582 18.690 ( -1.319 -1.230 0.971) 2.048 18.998 ( -5.642 -13.454 0.678) 14.605 19.445 ( -1.303 8.357 -0.216) 8.461 19.623 ( -0.549 10.202 1.358) 10.307 19.877 ( 0.330 16.683 -2.570) 16.883 20.450 ( 2.360 21.801 1.102) 21.956 21.316 ( 1.644 -11.293 0.225) 11.415 21.651 ( 4.977 -1.329 -1.891) 5.487 21.937 ( -0.157 -6.597 1.061) 6.684 22.032 ( 0.729 -0.703 1.293) 1.642 22.244 ( -1.254 7.387 -0.593) 7.516 22.530 ( -0.228 2.180 0.933) 2.382 22.636 ( 4.083 -10.433 -4.694) 12.147 22.703 ( -6.241 -10.028 3.628) 12.356 22.893 ( 1.105 -7.088 -1.810) 7.399 22.929 ( -4.064 -7.317 1.650) 8.531 ======================= Grid point 51 (34/102) ======================= q-point: ( 0.64 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 102 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.431 ( -0.000 -7.388 0.000) 7.388 1.612 ( -0.000 -5.930 0.000) 5.930 2.002 ( 0.000 3.376 -0.000) 3.376 2.007 ( 0.000 1.508 -0.000) 1.508 2.065 ( -0.000 -3.411 0.000) 3.411 2.362 ( -0.000 -2.581 0.000) 2.581 2.373 ( -0.000 -8.097 0.000) 8.097 2.505 ( 0.000 1.051 -0.000) 1.051 2.638 ( 0.000 4.034 -0.000) 4.034 2.691 ( -0.000 -1.705 0.000) 1.705 2.830 ( -0.000 -4.600 0.000) 4.600 3.007 ( 0.000 0.770 -0.000) 0.770 3.131 ( -0.000 -5.257 0.000) 5.257 3.157 ( -0.000 -2.950 0.000) 2.950 3.159 ( -0.000 -0.008 0.000) 0.008 3.262 ( 0.000 1.229 -0.000) 1.229 3.436 ( 0.000 3.650 -0.000) 3.650 3.443 ( 0.000 2.697 -0.000) 2.697 3.523 ( -0.000 -6.089 0.000) 6.089 3.615 ( -0.000 -2.942 0.000) 2.942 3.617 ( -0.000 -0.681 0.000) 0.681 3.747 ( 0.000 5.700 -0.000) 5.700 3.771 ( 0.000 0.000 -0.000) 0.000 3.859 ( 0.000 4.097 -0.000) 4.097 4.011 ( 0.000 4.405 -0.000) 4.405 4.211 ( 0.000 4.878 -0.000) 4.878 4.227 ( 0.000 0.758 -0.000) 0.758 4.402 ( -0.000 -2.396 0.000) 2.396 4.415 ( 0.000 3.799 -0.000) 3.799 4.565 ( 0.000 1.117 -0.000) 1.117 4.781 ( -0.000 -1.800 0.000) 1.800 4.831 ( -0.000 -6.077 0.000) 6.077 5.021 ( -0.000 -2.432 0.000) 2.432 5.094 ( -0.000 -3.731 0.000) 3.731 5.114 ( -0.000 -10.387 0.000) 10.387 5.236 ( 0.000 1.087 -0.000) 1.087 5.432 ( -0.000 -5.495 0.000) 5.495 5.489 ( -0.000 -5.856 0.000) 5.856 5.787 ( -0.000 -0.045 0.000) 0.045 5.859 ( -0.000 -1.281 0.000) 1.281 5.909 ( -0.000 -0.389 0.000) 0.389 6.229 ( -0.000 -4.276 0.000) 4.276 6.363 ( 0.000 0.801 -0.000) 0.801 6.656 ( -0.000 -4.119 0.000) 4.119 6.860 ( 0.000 0.124 -0.000) 0.124 6.990 ( 0.000 8.804 -0.000) 8.804 7.048 ( 0.000 1.102 -0.000) 1.102 7.247 ( 0.000 11.229 -0.000) 11.229 7.294 ( -0.000 -1.933 0.000) 1.933 7.458 ( 0.000 10.595 -0.000) 10.595 7.757 ( 0.000 0.863 -0.000) 0.863 7.923 ( 0.000 4.197 -0.000) 4.197 7.987 ( 0.000 6.902 -0.000) 6.902 8.351 ( -0.000 -0.149 0.000) 0.149 8.383 ( -0.000 -2.917 0.000) 2.917 8.462 ( 0.000 0.750 -0.000) 0.750 8.844 ( 0.000 1.829 -0.000) 1.829 9.061 ( -0.000 -3.771 0.000) 3.771 9.125 ( 0.000 9.180 -0.000) 9.180 9.293 ( 0.000 10.109 -0.000) 10.109 9.718 ( -0.000 -2.868 0.000) 2.868 10.059 ( 0.000 4.089 -0.000) 4.089 10.267 ( 0.000 0.314 -0.000) 0.314 10.488 ( -0.000 -4.160 0.000) 4.160 10.545 ( -0.000 -2.037 0.000) 2.037 10.769 ( -0.000 -1.218 0.000) 1.218 10.920 ( 0.000 1.695 -0.000) 1.695 10.997 ( 0.000 4.534 -0.000) 4.534 11.457 ( 0.000 8.889 -0.000) 8.889 11.626 ( 0.000 4.352 -0.000) 4.352 11.719 ( 0.000 1.361 -0.000) 1.361 11.827 ( 0.000 0.684 -0.000) 0.684 12.015 ( 0.000 1.424 -0.000) 1.424 12.067 ( 0.000 2.006 -0.000) 2.006 12.763 ( 0.000 13.417 -0.000) 13.417 12.818 ( 0.000 15.695 -0.000) 15.695 12.905 ( -0.000 -5.628 0.000) 5.628 13.053 ( -0.000 -5.265 0.000) 5.265 13.384 ( 0.000 5.340 -0.000) 5.340 13.513 ( 0.000 3.759 -0.000) 3.759 15.822 ( -0.000 -2.866 0.000) 2.866 15.918 ( -0.000 -0.623 0.000) 0.623 17.691 ( 0.000 1.259 -0.000) 1.259 17.711 ( 0.000 0.925 -0.000) 0.925 18.251 ( 0.000 4.060 -0.000) 4.060 18.482 ( 0.000 7.102 -0.000) 7.102 18.691 ( 0.000 1.231 -0.000) 1.231 19.198 ( -0.000 -10.152 0.000) 10.152 19.333 ( 0.000 6.492 -0.000) 6.492 19.492 ( 0.000 2.202 -0.000) 2.202 19.613 ( 0.000 11.138 -0.000) 11.138 20.057 ( 0.000 22.426 -0.000) 22.426 21.505 ( -0.000 -8.850 0.000) 8.850 21.666 ( 0.000 1.715 -0.000) 1.715 22.031 ( -0.000 -2.489 0.000) 2.489 22.056 ( -0.000 -1.721 0.000) 1.721 22.122 ( 0.000 4.156 -0.000) 4.156 22.484 ( 0.000 2.418 -0.000) 2.418 22.780 ( -0.000 -5.695 0.000) 5.695 22.878 ( -0.000 -9.477 0.000) 9.477 23.008 ( -0.000 -5.123 0.000) 5.123 23.064 ( -0.000 -9.438 0.000) 9.438 ======================= Grid point 61 (35/102) ======================= q-point: ( 0.45 0.45 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 102 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.500 ( 8.338 -0.000 -2.441) 8.688 1.586 ( 6.611 -0.000 -3.950) 7.701 1.694 ( 3.263 -0.000 3.544) 4.818 1.841 ( 1.303 -0.000 4.451) 4.637 2.119 ( -1.394 0.000 -0.816) 1.615 2.253 ( -4.059 0.000 0.987) 4.177 2.254 ( 2.088 -0.000 -2.132) 2.985 2.454 ( -4.437 0.000 1.841) 4.804 2.479 ( 9.066 -0.000 -2.231) 9.337 2.656 ( -10.132 0.000 -0.524) 10.145 2.900 ( -2.359 0.000 4.220) 4.835 2.910 ( 16.488 -0.000 -3.927) 16.949 2.987 ( 2.976 -0.000 -0.868) 3.100 3.037 ( 2.801 -0.000 0.207) 2.809 3.137 ( -1.979 0.000 -2.857) 3.475 3.198 ( -13.370 0.000 6.307) 14.783 3.267 ( 3.665 -0.000 1.727) 4.052 3.601 ( 7.036 -0.000 -5.970) 9.227 3.605 ( 0.006 -0.000 -0.046) 0.046 3.664 ( -1.721 0.000 2.075) 2.696 3.716 ( -4.517 0.000 1.872) 4.889 3.760 ( -5.675 0.000 -3.007) 6.422 3.925 ( 14.060 -0.000 0.301) 14.064 4.094 ( 3.478 -0.000 -0.536) 3.519 4.155 ( -3.146 0.000 0.059) 3.146 4.315 ( -0.469 0.000 -0.913) 1.026 4.323 ( 2.780 -0.000 3.867) 4.763 4.363 ( -6.833 0.000 -1.043) 6.913 4.567 ( 5.368 -0.000 -0.792) 5.426 4.679 ( -1.875 0.000 0.756) 2.022 4.689 ( -12.833 0.000 -0.249) 12.835 4.858 ( 5.876 -0.000 -3.875) 7.038 4.896 ( -1.137 0.000 -1.583) 1.949 4.940 ( -0.247 0.000 -0.179) 0.305 4.999 ( -11.079 0.000 8.556) 13.998 5.048 ( -2.070 0.000 -2.079) 2.934 5.101 ( -1.631 0.000 0.552) 1.722 5.364 ( -0.217 0.000 0.466) 0.514 5.568 ( 10.354 -0.000 -4.326) 11.221 5.774 ( -8.021 0.000 4.750) 9.322 6.057 ( -0.771 0.000 -1.393) 1.592 6.110 ( 5.851 -0.000 -2.276) 6.278 6.232 ( -5.661 0.000 2.556) 6.211 6.374 ( 4.723 -0.000 -1.575) 4.979 6.964 ( 2.238 -0.000 -2.305) 3.212 7.064 ( 3.370 -0.000 3.152) 4.615 7.169 ( 0.035 -0.000 0.967) 0.968 7.170 ( 1.447 -0.000 -1.322) 1.959 7.614 ( 0.003 -0.000 -1.529) 1.529 7.680 ( -4.766 0.000 1.367) 4.958 7.841 ( -3.049 0.000 -2.687) 4.064 8.105 ( 0.766 -0.000 0.241) 0.803 8.195 ( -0.157 0.000 3.112) 3.116 8.240 ( -1.623 0.000 0.681) 1.760 8.353 ( 2.305 -0.000 0.569) 2.374 8.623 ( -0.507 0.000 -1.487) 1.571 8.846 ( -4.039 0.000 0.964) 4.153 9.051 ( 1.617 -0.000 -1.262) 2.052 9.543 ( 1.924 -0.000 -2.795) 3.393 9.550 ( -6.094 0.000 2.215) 6.484 9.767 ( -2.335 0.000 -0.739) 2.449 10.204 ( 2.671 -0.000 2.658) 3.768 10.241 ( 4.271 -0.000 -1.829) 4.646 10.454 ( -0.361 0.000 -0.309) 0.475 10.455 ( -1.278 0.000 1.343) 1.853 10.728 ( 2.764 -0.000 -1.447) 3.120 11.058 ( 0.384 -0.000 0.054) 0.388 11.202 ( 1.852 -0.000 0.359) 1.887 11.567 ( 10.287 -0.000 -0.701) 10.311 11.599 ( 2.879 -0.000 1.379) 3.192 11.642 ( -2.431 0.000 -2.010) 3.154 11.713 ( -4.382 0.000 1.485) 4.627 12.058 ( 1.101 -0.000 -0.579) 1.244 12.101 ( -0.485 0.000 0.388) 0.621 12.731 ( -2.141 0.000 -0.276) 2.158 12.805 ( -0.713 0.000 0.113) 0.722 13.457 ( 3.128 -0.000 0.627) 3.190 13.531 ( 5.357 -0.000 -1.627) 5.599 13.620 ( -5.447 0.000 0.474) 5.468 13.695 ( -0.739 0.000 0.619) 0.964 15.733 ( -3.480 0.000 -0.948) 3.607 15.874 ( -4.852 0.000 0.961) 4.946 17.855 ( 2.352 -0.000 -0.321) 2.374 17.873 ( 3.395 -0.000 0.346) 3.412 18.490 ( 8.005 -0.000 1.405) 8.128 18.523 ( 1.002 -0.000 -1.313) 1.652 18.645 ( -9.086 0.000 -1.098) 9.153 18.661 ( -2.805 0.000 0.999) 2.977 19.791 ( -0.691 0.000 -0.309) 0.757 19.873 ( -1.667 0.000 0.144) 1.673 20.287 ( -0.568 0.000 -0.176) 0.594 20.930 ( 1.985 -0.000 2.394) 3.110 21.006 ( 1.943 -0.000 -0.504) 2.007 21.597 ( 2.624 -0.000 -7.871) 8.297 21.772 ( -1.550 0.000 4.772) 5.017 22.028 ( 0.827 -0.000 0.306) 0.882 22.250 ( 2.203 -0.000 -0.662) 2.300 22.470 ( 1.690 -0.000 2.821) 3.288 22.500 ( 1.589 -0.000 -0.229) 1.605 22.635 ( 1.870 -0.000 -2.273) 2.944 22.694 ( -6.278 0.000 1.557) 6.468 22.741 ( -2.791 0.000 -0.371) 2.816 ======================= Grid point 62 (36/102) ======================= q-point: ( 0.55 0.45 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 102 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.403 ( 0.000 6.435 -0.000) 6.435 1.610 ( 0.000 6.158 -0.000) 6.158 1.766 ( -0.000 -10.571 0.000) 10.571 1.963 ( -0.000 -7.393 0.000) 7.393 2.098 ( 0.000 1.365 -0.000) 1.365 2.244 ( 0.000 1.383 -0.000) 1.383 2.276 ( -0.000 -3.465 0.000) 3.465 2.448 ( -0.000 -1.612 0.000) 1.612 2.564 ( -0.000 -3.231 0.000) 3.231 2.613 ( -0.000 -1.558 0.000) 1.558 2.881 ( 0.000 1.928 -0.000) 1.928 2.978 ( -0.000 -1.013 0.000) 1.013 3.031 ( -0.000 -1.130 0.000) 1.130 3.057 ( -0.000 -1.426 0.000) 1.426 3.143 ( 0.000 1.543 -0.000) 1.543 3.149 ( -0.000 -5.468 0.000) 5.468 3.292 ( -0.000 -1.454 0.000) 1.454 3.550 ( 0.000 3.266 -0.000) 3.266 3.581 ( 0.000 4.496 -0.000) 4.496 3.658 ( 0.000 0.825 -0.000) 0.825 3.698 ( 0.000 3.533 -0.000) 3.533 3.741 ( -0.000 -2.807 0.000) 2.807 3.986 ( 0.000 3.322 -0.000) 3.322 4.065 ( 0.000 6.159 -0.000) 6.159 4.078 ( 0.000 0.076 -0.000) 0.076 4.306 ( 0.000 3.939 -0.000) 3.939 4.312 ( 0.000 1.215 -0.000) 1.215 4.378 ( -0.000 -3.856 0.000) 3.856 4.582 ( 0.000 1.685 -0.000) 1.685 4.604 ( 0.000 1.570 -0.000) 1.570 4.700 ( 0.000 0.004 -0.000) 0.004 4.817 ( -0.000 -2.467 0.000) 2.467 4.872 ( 0.000 6.681 -0.000) 6.681 4.928 ( -0.000 -3.734 0.000) 3.734 5.020 ( 0.000 1.231 -0.000) 1.231 5.127 ( -0.000 -12.295 0.000) 12.295 5.178 ( -0.000 -6.542 0.000) 6.542 5.323 ( 0.000 3.036 -0.000) 3.036 5.657 ( -0.000 -4.466 0.000) 4.466 5.770 ( -0.000 -2.661 0.000) 2.661 6.014 ( 0.000 3.893 -0.000) 3.893 6.142 ( -0.000 -1.018 0.000) 1.018 6.250 ( -0.000 -4.547 0.000) 4.547 6.450 ( -0.000 -5.388 0.000) 5.388 6.948 ( 0.000 2.302 -0.000) 2.302 7.077 ( 0.000 0.505 -0.000) 0.505 7.155 ( 0.000 1.995 -0.000) 1.995 7.182 ( -0.000 -1.424 0.000) 1.424 7.568 ( 0.000 4.450 -0.000) 4.450 7.666 ( 0.000 0.683 -0.000) 0.683 7.818 ( 0.000 1.192 -0.000) 1.192 8.071 ( 0.000 3.540 -0.000) 3.540 8.179 ( 0.000 1.908 -0.000) 1.908 8.268 ( -0.000 -3.055 0.000) 3.055 8.384 ( -0.000 -2.170 0.000) 2.170 8.517 ( 0.000 9.012 -0.000) 9.012 8.867 ( -0.000 -2.444 0.000) 2.444 9.035 ( 0.000 2.091 -0.000) 2.091 9.473 ( 0.000 6.310 -0.000) 6.310 9.580 ( -0.000 -3.358 0.000) 3.358 9.687 ( 0.000 7.657 -0.000) 7.657 10.184 ( 0.000 3.256 -0.000) 3.256 10.265 ( -0.000 -0.946 0.000) 0.946 10.437 ( 0.000 1.168 -0.000) 1.168 10.467 ( -0.000 -1.649 0.000) 1.649 10.737 ( -0.000 -0.153 0.000) 0.153 11.028 ( 0.000 3.158 -0.000) 3.158 11.178 ( 0.000 3.631 -0.000) 3.631 11.615 ( 0.000 0.274 -0.000) 0.274 11.633 ( -0.000 -3.101 0.000) 3.101 11.644 ( -0.000 -1.252 0.000) 1.252 11.742 ( -0.000 -4.268 0.000) 4.268 12.067 ( -0.000 -0.621 0.000) 0.621 12.081 ( 0.000 1.878 -0.000) 1.878 12.747 ( -0.000 -2.667 0.000) 2.667 12.831 ( -0.000 -3.143 0.000) 3.143 13.348 ( 0.000 13.004 -0.000) 13.004 13.503 ( 0.000 11.979 -0.000) 11.979 13.532 ( 0.000 2.496 -0.000) 2.496 13.637 ( 0.000 3.642 -0.000) 3.642 15.730 ( -0.000 -1.345 0.000) 1.345 15.875 ( -0.000 -1.680 0.000) 1.680 17.819 ( 0.000 4.288 -0.000) 4.288 17.832 ( 0.000 4.840 -0.000) 4.840 18.469 ( 0.000 6.382 -0.000) 6.382 18.566 ( -0.000 -2.439 0.000) 2.439 18.628 ( -0.000 -4.667 0.000) 4.667 18.760 ( -0.000 -9.826 0.000) 9.826 19.642 ( 0.000 12.675 -0.000) 12.675 19.799 ( 0.000 8.014 -0.000) 8.014 20.156 ( 0.000 13.170 -0.000) 13.170 20.799 ( 0.000 14.879 -0.000) 14.879 21.119 ( -0.000 -10.351 0.000) 10.351 21.626 ( -0.000 -2.610 0.000) 2.610 21.822 ( -0.000 -5.440 0.000) 5.440 22.031 ( -0.000 -0.036 0.000) 0.036 22.365 ( -0.000 -1.628 0.000) 1.628 22.414 ( -0.000 -2.605 0.000) 2.605 22.528 ( -0.000 -3.872 0.000) 3.872 22.621 ( 0.000 1.121 -0.000) 1.121 22.776 ( -0.000 -8.358 0.000) 8.358 22.781 ( -0.000 -4.942 0.000) 4.942 ======================= Grid point 125 (37/102) ======================= q-point: ( 0.00 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 102 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.471 ( -3.790 0.000 21.490) 21.822 0.503 ( 13.353 -0.000 22.754) 26.383 0.746 ( -18.116 0.000 31.366) 36.222 0.911 ( 2.283 -0.000 -14.675) 14.851 0.972 ( -12.209 0.000 -19.689) 23.167 1.414 ( 16.402 -0.000 -25.523) 30.339 1.955 ( 8.776 -0.000 13.524) 16.122 2.236 ( -13.961 0.000 -11.566) 18.130 2.278 ( -1.166 0.000 6.112) 6.222 2.400 ( 0.792 -0.000 -3.943) 4.022 2.767 ( -1.471 0.000 8.500) 8.627 2.865 ( -1.326 0.000 0.802) 1.550 3.013 ( -2.513 0.000 5.566) 6.107 3.131 ( -1.594 0.000 -2.409) 2.889 3.310 ( -5.746 0.000 1.593) 5.963 3.356 ( -13.314 0.000 2.847) 13.615 3.401 ( 5.497 -0.000 -4.785) 7.288 3.454 ( 4.058 -0.000 -3.560) 5.398 3.488 ( 2.918 -0.000 1.547) 3.302 3.578 ( -3.140 0.000 -7.332) 7.976 3.746 ( -13.022 0.000 7.567) 15.061 3.890 ( 7.285 -0.000 -4.388) 8.505 3.948 ( 1.531 -0.000 1.010) 1.834 3.964 ( -3.386 0.000 -0.194) 3.392 4.203 ( 2.954 -0.000 2.017) 3.577 4.326 ( 1.814 -0.000 -8.110) 8.310 4.701 ( -7.355 0.000 6.267) 9.663 4.716 ( 1.261 -0.000 3.879) 4.079 4.761 ( -7.680 0.000 3.655) 8.505 4.812 ( -2.208 0.000 -2.872) 3.623 4.852 ( 5.585 -0.000 -0.964) 5.668 4.867 ( 1.992 -0.000 -3.729) 4.227 5.167 ( -3.020 0.000 0.550) 3.070 5.173 ( 1.320 -0.000 0.705) 1.497 5.370 ( -37.308 0.000 5.407) 37.698 5.390 ( -7.137 0.000 1.430) 7.278 5.492 ( 11.392 -0.000 -4.685) 12.318 5.501 ( 9.171 -0.000 -1.576) 9.305 5.583 ( 8.097 -0.000 -0.416) 8.107 5.637 ( -0.353 0.000 -2.631) 2.655 5.948 ( 1.148 -0.000 0.991) 1.517 5.970 ( 0.146 -0.000 -0.864) 0.876 6.235 ( 0.625 -0.000 1.140) 1.300 6.261 ( 0.782 -0.000 -1.040) 1.301 6.673 ( 1.155 -0.000 4.143) 4.302 6.747 ( -1.060 0.000 5.621) 5.720 6.793 ( -0.190 0.000 -6.629) 6.632 6.868 ( 0.074 -0.000 -4.584) 4.585 7.144 ( -0.967 0.000 7.879) 7.939 7.296 ( -1.697 0.000 -5.685) 5.933 7.683 ( -6.255 0.000 6.556) 9.061 7.844 ( 5.240 -0.000 -7.259) 8.953 8.383 ( -1.643 0.000 2.956) 3.382 8.493 ( 12.308 -0.000 -6.435) 13.888 8.615 ( -11.490 0.000 9.613) 14.981 8.822 ( 10.753 -0.000 -7.721) 13.238 8.940 ( 6.391 -0.000 5.384) 8.356 9.077 ( -3.535 0.000 -5.472) 6.515 9.289 ( -3.849 0.000 7.574) 8.496 9.460 ( 6.619 -0.000 -8.211) 10.546 9.874 ( 0.354 -0.000 9.336) 9.343 10.050 ( -21.622 0.000 -6.256) 22.509 10.702 ( -4.480 0.000 0.935) 4.577 10.711 ( -20.250 0.000 0.315) 20.253 10.711 ( 12.399 -0.000 0.252) 12.401 10.724 ( 3.126 -0.000 -0.871) 3.245 10.875 ( -1.976 0.000 0.554) 2.052 10.886 ( 1.077 -0.000 -0.325) 1.125 11.145 ( -50.958 0.000 0.182) 50.958 11.156 ( 15.345 -0.000 -0.715) 15.361 11.331 ( -3.417 0.000 2.229) 4.080 11.383 ( 2.392 -0.000 -2.073) 3.165 12.284 ( -1.096 0.000 1.022) 1.498 12.314 ( 1.876 -0.000 -1.572) 2.447 12.472 ( -9.434 0.000 1.598) 9.568 12.502 ( 24.049 -0.000 -1.021) 24.071 12.996 ( -1.215 0.000 0.353) 1.265 13.005 ( 1.167 -0.000 -0.335) 1.214 13.897 ( -0.425 0.000 0.331) 0.539 13.905 ( 0.254 -0.000 -0.329) 0.415 16.267 ( 19.344 -0.000 0.374) 19.348 16.276 ( -60.641 0.000 -0.385) 60.642 17.450 ( -2.768 0.000 1.824) 3.315 17.500 ( 4.175 -0.000 -2.389) 4.810 17.825 ( 16.559 -0.000 2.783) 16.791 17.884 ( -3.199 0.000 -2.228) 3.899 19.597 ( -6.792 0.000 1.960) 7.069 19.623 ( 34.439 -0.000 -0.416) 34.442 19.632 ( -0.169 0.000 0.851) 0.867 19.675 ( -8.512 0.000 -2.600) 8.900 20.131 ( -16.976 0.000 0.406) 16.981 20.138 ( 2.515 -0.000 -0.237) 2.526 20.566 ( -0.567 0.000 0.594) 0.822 20.579 ( 0.609 -0.000 -0.529) 0.807 21.887 ( -0.016 0.000 0.136) 0.137 21.891 ( -0.064 0.000 -0.257) 0.265 22.367 ( 0.037 -0.000 2.154) 2.154 22.418 ( 0.563 -0.000 -2.145) 2.218 22.918 ( 3.378 -0.000 1.671) 3.769 22.962 ( -9.674 0.000 -2.198) 9.920 23.058 ( -3.313 0.000 1.404) 3.598 23.082 ( 1.317 -0.000 -0.744) 1.513 ======================= Grid point 126 (38/102) ======================= q-point: ( 0.09 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.510 ( 4.333 -4.447 15.892) 17.062 0.870 ( 16.173 -12.732 14.486) 25.170 0.881 ( 5.442 -4.915 -12.699) 14.664 1.037 ( -0.028 -25.672 12.435) 28.526 1.081 ( 3.723 -14.425 -12.885) 19.697 1.531 ( 14.980 -5.808 -14.233) 21.464 2.018 ( -5.711 1.514 0.912) 5.978 2.077 ( 5.757 -1.208 7.242) 9.330 2.385 ( -0.289 -8.247 1.897) 8.467 2.496 ( 6.349 -7.843 -3.664) 10.736 2.720 ( -2.510 7.240 6.281) 9.908 2.867 ( 3.971 1.739 -1.188) 4.495 2.930 ( -3.869 -0.025 5.638) 6.838 3.006 ( -0.122 7.902 -4.145) 8.924 3.254 ( -5.708 -2.012 3.778) 7.135 3.303 ( -2.979 -0.587 2.359) 3.845 3.426 ( 1.367 2.288 -0.890) 2.810 3.470 ( 4.908 -0.354 -3.315) 5.933 3.565 ( -2.034 -4.635 2.113) 5.485 3.659 ( -3.470 -3.649 -4.634) 6.843 3.722 ( -0.401 -2.837 3.075) 4.203 3.891 ( 1.573 2.515 -3.860) 4.868 3.966 ( -3.327 -1.699 2.763) 4.647 3.998 ( -5.379 -4.761 -1.763) 7.397 4.214 ( 5.291 2.845 0.451) 6.025 4.319 ( 10.067 4.272 -7.263) 13.128 4.620 ( -6.151 3.554 7.584) 10.391 4.653 ( -7.598 5.664 4.199) 10.366 4.692 ( 1.269 4.140 2.149) 4.834 4.777 ( 1.035 1.526 -1.130) 2.162 4.832 ( 3.692 2.802 -1.042) 4.750 4.914 ( -1.039 -2.199 -5.580) 6.087 5.093 ( -4.337 3.373 0.961) 5.578 5.200 ( 0.675 -2.142 -0.777) 2.376 5.274 ( -12.152 -7.532 5.918) 15.473 5.373 ( -5.042 -2.847 1.838) 6.075 5.512 ( -8.449 -0.831 4.539) 9.627 5.576 ( -3.107 3.212 -4.519) 6.356 5.626 ( 10.807 -2.635 -4.591) 12.034 5.681 ( 9.583 -0.826 -2.581) 9.959 5.968 ( 0.845 -0.364 -0.208) 0.943 5.991 ( 0.508 -2.879 -0.431) 2.955 6.186 ( 4.255 4.455 4.217) 7.466 6.319 ( 12.915 0.629 -3.709) 13.452 6.650 ( -7.051 2.367 -0.611) 7.463 6.698 ( -2.245 1.089 4.706) 5.327 6.904 ( 5.882 -4.231 -0.779) 7.288 6.934 ( 9.440 -3.591 -6.904) 12.234 7.227 ( 2.052 -5.770 3.097) 6.862 7.307 ( 13.218 3.555 -5.912) 14.910 7.686 ( -0.838 -2.403 5.476) 6.038 7.878 ( 4.877 -0.897 -6.385) 8.084 8.295 ( -0.986 7.413 1.175) 7.570 8.409 ( 5.597 10.438 -3.161) 12.258 8.604 ( -8.366 0.921 6.891) 10.878 8.901 ( 7.525 4.360 -7.864) 11.725 8.960 ( 0.041 -2.395 3.540) 4.275 9.051 ( 1.098 -0.752 -3.368) 3.621 9.283 ( -3.921 -0.442 8.572) 9.437 9.488 ( 2.481 0.279 -3.579) 4.364 9.635 ( -17.928 8.390 17.260) 26.262 9.831 ( 0.147 6.523 7.674) 10.072 10.354 ( -3.409 7.994 2.242) 8.975 10.581 ( -2.974 10.013 -3.097) 10.895 10.679 ( 2.864 3.498 -1.202) 4.678 10.735 ( 2.807 1.877 -2.920) 4.464 10.902 ( -9.308 -3.055 0.154) 9.797 10.957 ( -1.385 -3.011 4.454) 5.552 11.132 ( -4.555 -6.751 1.969) 8.379 11.310 ( 4.922 -0.854 -1.379) 5.182 11.374 ( -0.383 -5.676 -0.672) 5.729 11.501 ( 19.000 -1.958 3.001) 19.335 12.283 ( -4.197 2.866 -0.864) 5.156 12.295 ( -0.985 -0.738 -0.263) 1.258 12.397 ( 1.802 2.102 -1.037) 2.957 12.497 ( 14.583 12.039 -1.001) 18.937 12.992 ( -1.223 0.235 0.754) 1.456 13.015 ( 0.418 -0.339 -0.297) 0.615 13.876 ( -1.214 2.111 1.202) 2.716 13.933 ( -0.775 -0.488 -3.920) 4.025 15.942 ( -12.900 2.434 9.169) 16.013 16.323 ( 16.802 9.523 2.327) 19.453 17.496 ( -4.658 -7.328 3.219) 9.261 17.565 ( 0.399 -5.694 -0.611) 5.741 17.791 ( -13.204 0.476 -2.969) 13.541 18.167 ( 26.317 -7.815 -6.787) 28.279 19.325 ( -11.741 8.428 1.127) 14.496 19.517 ( 14.622 15.055 1.370) 21.032 19.595 ( -2.961 5.824 1.060) 6.619 19.706 ( 6.385 10.836 -5.490) 13.723 20.173 ( -16.099 -10.540 -0.132) 19.243 20.418 ( 13.390 -1.056 -2.962) 13.755 20.535 ( -0.154 -9.370 2.425) 9.680 20.671 ( 6.958 -7.687 -1.248) 10.443 21.835 ( 1.966 1.239 4.692) 5.236 21.871 ( 0.176 0.904 -1.287) 1.582 22.371 ( -0.693 1.050 0.696) 1.438 22.422 ( 1.552 -0.576 -2.386) 2.904 22.855 ( -5.184 -0.259 6.508) 8.324 22.977 ( -2.396 -1.753 -5.570) 6.312 23.169 ( -2.242 -7.766 4.079) 9.054 23.243 ( -10.614 -16.132 -8.564) 21.124 ======================= Grid point 127 (39/102) ======================= q-point: ( 0.18 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.754 ( 9.186 -13.661 2.561) 16.660 0.972 ( 12.580 -3.093 -10.265) 16.528 1.243 ( 6.986 -13.093 -2.513) 15.051 1.353 ( 7.503 -17.320 1.602) 18.943 1.620 ( 11.265 -26.040 7.945) 29.464 1.777 ( 8.945 -11.201 2.108) 14.489 2.031 ( 1.595 -4.278 -1.331) 4.756 2.212 ( 9.372 -3.371 7.824) 12.665 2.507 ( -3.839 -3.422 0.511) 5.168 2.585 ( 0.329 -2.430 -6.707) 7.142 2.720 ( 11.136 -6.638 -2.533) 13.209 2.805 ( 4.246 7.848 -7.734) 11.808 2.929 ( 2.476 -3.095 3.021) 4.984 3.019 ( 1.226 -3.692 2.452) 4.599 3.229 ( -4.274 0.876 0.537) 4.396 3.323 ( -4.103 -2.078 1.952) 4.996 3.390 ( -0.365 1.295 1.933) 2.356 3.495 ( 3.096 0.938 -2.823) 4.294 3.564 ( -1.337 4.208 3.676) 5.745 3.639 ( -4.490 -0.606 -2.096) 4.992 3.762 ( -1.715 -1.290 -0.836) 2.303 3.846 ( -0.744 1.747 -1.302) 2.302 3.933 ( -4.995 1.398 -0.382) 5.201 4.032 ( -7.614 -4.024 -1.108) 8.683 4.175 ( 4.608 4.543 -2.068) 6.793 4.296 ( 3.149 3.783 1.212) 5.069 4.462 ( -2.999 8.958 -0.187) 9.449 4.564 ( -1.371 1.821 6.371) 6.766 4.670 ( -0.224 0.787 1.425) 1.643 4.753 ( -2.356 4.297 1.575) 5.147 4.770 ( 1.532 -0.197 -1.181) 1.945 4.950 ( 2.728 -0.815 -5.833) 6.491 5.047 ( -0.869 -1.756 0.184) 1.968 5.217 ( -4.012 -1.031 0.127) 4.144 5.331 ( -7.715 -1.749 4.288) 8.998 5.425 ( 2.137 -1.849 -0.263) 2.838 5.455 ( -8.593 -0.962 -1.214) 8.732 5.468 ( -3.713 1.124 -0.417) 3.901 5.709 ( 4.544 0.165 -2.684) 5.280 5.730 ( 0.857 -1.796 0.958) 2.208 5.999 ( 1.885 -2.857 -2.178) 4.057 6.065 ( 5.193 -2.633 0.628) 5.856 6.187 ( 3.214 -0.275 3.744) 4.942 6.378 ( 13.252 3.399 -1.978) 13.823 6.522 ( -10.424 2.867 -3.549) 11.379 6.718 ( 4.188 -0.980 4.863) 6.493 6.976 ( 2.727 -1.688 -2.722) 4.206 7.022 ( 19.594 6.303 -2.071) 20.687 7.295 ( 7.938 2.342 -0.851) 8.320 7.344 ( 3.785 -0.568 -2.495) 4.569 7.779 ( 4.757 -4.158 3.734) 7.339 7.920 ( 3.450 -1.858 -4.628) 6.064 8.157 ( 1.471 8.193 0.443) 8.336 8.272 ( 3.364 6.435 -3.087) 7.891 8.493 ( -10.263 3.770 8.838) 14.059 8.762 ( -3.110 7.259 -3.143) 8.500 9.045 ( -0.846 0.728 -0.036) 1.117 9.071 ( 4.694 -3.295 -0.804) 5.791 9.305 ( -6.062 -2.507 9.448) 11.502 9.487 ( -2.559 -0.015 8.579) 8.952 9.598 ( 6.709 0.088 -3.859) 7.740 9.714 ( -0.887 6.401 -0.090) 6.462 10.246 ( 0.403 3.734 -1.804) 4.167 10.395 ( 1.276 6.970 -2.105) 7.392 10.660 ( 1.262 0.439 -0.592) 1.462 10.726 ( 0.379 0.079 -2.971) 2.996 10.850 ( -9.199 0.032 1.015) 9.255 11.005 ( -2.630 -3.057 5.565) 6.872 11.198 ( 3.368 -0.989 0.978) 3.644 11.317 ( 5.295 2.761 -0.744) 6.018 11.464 ( 2.344 -2.817 -2.264) 4.308 11.606 ( 9.833 3.457 2.022) 10.618 12.187 ( -3.153 2.384 -2.063) 4.459 12.288 ( -4.482 1.450 0.436) 4.731 12.392 ( 3.742 1.616 -0.209) 4.081 12.403 ( 13.604 8.080 -0.152) 15.823 12.977 ( -1.641 -0.000 1.651) 2.328 13.020 ( -0.690 -0.556 -0.992) 1.330 13.803 ( -1.705 5.239 2.159) 5.917 13.871 ( -2.661 4.404 -3.573) 6.265 15.909 ( -0.430 -0.077 4.574) 4.595 16.237 ( 8.744 9.284 -1.421) 12.832 17.588 ( -11.213 -7.576 -0.206) 13.534 17.697 ( -3.549 -7.100 2.583) 8.347 17.746 ( 2.337 -4.330 -1.735) 5.217 18.369 ( 21.051 3.248 -0.543) 21.307 19.120 ( -9.842 8.753 -0.467) 13.180 19.286 ( 3.773 14.445 -1.087) 14.969 19.472 ( 3.588 10.630 0.949) 11.259 19.534 ( 5.467 9.330 -1.662) 10.941 20.208 ( -5.604 2.237 -0.098) 6.034 20.243 ( -12.176 3.408 -1.770) 12.767 20.778 ( 6.577 -6.496 0.695) 9.271 21.002 ( 12.988 -16.771 1.459) 21.262 21.878 ( -0.228 -2.308 -1.871) 2.980 21.916 ( 3.783 -5.425 2.636) 7.120 22.328 ( -1.874 2.661 1.165) 3.456 22.442 ( 2.813 -0.431 -4.539) 5.358 22.837 ( -5.419 -0.091 8.211) 9.839 22.991 ( -1.362 -2.680 -6.382) 7.054 23.271 ( -5.788 -5.297 6.201) 10.001 23.358 ( -9.191 -7.702 -7.048) 13.910 ======================= Grid point 128 (40/102) ======================= q-point: ( 0.27 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.070 ( 8.276 -12.689 -3.247) 15.494 1.172 ( 10.009 -11.939 0.332) 15.583 1.483 ( 4.844 -10.504 -2.830) 11.908 1.707 ( 9.948 -11.182 6.132) 16.174 1.956 ( 3.766 -4.778 3.228) 6.887 2.099 ( 1.697 -15.168 1.726) 15.360 2.192 ( 11.504 -11.833 -2.867) 16.750 2.357 ( 6.115 -6.631 5.416) 10.521 2.549 ( 0.169 0.376 -0.335) 0.531 2.609 ( 5.327 1.287 -5.115) 7.496 2.791 ( 4.423 -6.571 -7.087) 10.629 2.909 ( 7.632 -4.318 -1.360) 8.873 3.002 ( 1.617 -1.792 1.291) 2.737 3.061 ( -0.786 0.709 4.092) 4.226 3.191 ( -3.328 -1.930 -1.989) 4.331 3.321 ( -3.485 -1.809 0.926) 4.034 3.379 ( -1.578 0.848 1.078) 2.091 3.433 ( -6.202 2.786 1.807) 7.035 3.481 ( 3.802 5.784 -1.910) 7.180 3.643 ( -0.344 -1.602 -1.156) 2.006 3.759 ( -1.606 0.755 -1.904) 2.603 3.782 ( -2.399 2.900 2.122) 4.321 3.897 ( -5.058 -1.937 -3.729) 6.576 4.009 ( -5.462 0.104 -0.848) 5.529 4.140 ( 1.844 1.809 1.476) 2.975 4.222 ( -3.173 4.012 5.627) 7.604 4.297 ( -0.797 8.031 0.808) 8.110 4.558 ( 1.988 1.482 1.659) 2.983 4.637 ( -4.230 -0.254 -4.269) 6.015 4.710 ( 3.407 1.608 2.225) 4.375 4.817 ( 3.042 -2.855 -1.267) 4.360 4.946 ( -1.747 -0.284 -0.877) 1.976 5.118 ( -1.756 -4.924 -2.045) 5.614 5.185 ( -3.432 1.303 -0.041) 3.672 5.260 ( -5.872 2.305 2.944) 6.961 5.347 ( -8.386 -0.339 -0.062) 8.393 5.460 ( -0.170 -0.813 -0.994) 1.295 5.567 ( 3.483 -5.995 -1.041) 7.011 5.683 ( -2.108 2.740 1.885) 3.937 5.775 ( 0.839 -2.292 0.143) 2.445 6.052 ( -0.294 -1.738 -0.741) 1.912 6.190 ( 8.094 -5.858 0.866) 10.029 6.236 ( 3.064 -1.278 2.285) 4.030 6.361 ( 4.401 6.259 -0.809) 7.694 6.436 ( 2.152 0.396 -3.364) 4.013 6.801 ( 4.420 -3.124 3.698) 6.555 6.978 ( 10.737 8.133 -0.763) 13.491 7.032 ( 12.279 2.064 -6.507) 14.049 7.283 ( 5.406 4.814 2.503) 7.659 7.356 ( 1.998 0.490 -0.789) 2.204 7.866 ( 3.414 -0.544 2.254) 4.127 7.977 ( 1.602 -3.065 -1.256) 3.680 8.039 ( 6.148 7.391 -0.598) 9.632 8.212 ( 1.858 3.186 -4.248) 5.626 8.381 ( -7.994 3.215 5.980) 10.488 8.618 ( -2.848 4.459 -2.846) 6.008 9.005 ( -3.793 2.779 2.693) 5.419 9.109 ( -0.336 0.615 -0.407) 0.811 9.282 ( -7.839 1.579 6.423) 10.257 9.468 ( -0.518 2.673 7.407) 7.892 9.568 ( -3.948 3.666 -2.421) 5.907 9.672 ( 6.867 -0.565 -8.415) 10.876 10.215 ( 0.431 0.247 -0.619) 0.793 10.384 ( 4.895 -2.779 0.010) 5.628 10.674 ( 0.864 -1.105 -0.522) 1.497 10.704 ( -2.512 0.294 -3.038) 3.953 10.824 ( -2.340 -2.116 1.605) 3.540 11.050 ( -1.566 -2.327 4.958) 5.697 11.227 ( 4.422 0.946 1.295) 4.704 11.293 ( 7.196 4.843 -1.555) 8.812 11.478 ( 3.810 4.084 -1.820) 5.874 11.563 ( -0.564 3.829 -0.215) 3.877 12.132 ( -1.528 2.721 -0.520) 3.164 12.196 ( 0.296 5.357 -0.591) 5.398 12.376 ( 3.666 1.778 1.424) 4.316 12.420 ( 5.827 0.516 -0.763) 5.899 12.988 ( -0.578 -1.972 1.863) 2.773 13.028 ( -1.014 -1.674 -1.575) 2.512 13.670 ( -3.326 8.013 1.266) 8.767 13.754 ( -2.545 5.283 -1.797) 6.133 15.923 ( 0.996 -0.039 2.956) 3.120 16.141 ( 3.772 5.998 -2.392) 7.479 17.593 ( -10.665 -3.833 -1.108) 11.387 17.811 ( 0.360 -7.156 0.897) 7.221 17.907 ( 2.996 -8.535 0.496) 9.059 18.399 ( 14.820 7.307 1.625) 16.603 18.828 ( -8.718 13.886 -1.349) 16.452 19.142 ( 1.768 5.298 1.834) 5.878 19.276 ( 2.445 11.589 -4.663) 12.729 19.453 ( 5.093 5.755 2.356) 8.038 19.963 ( -6.695 11.607 0.007) 13.400 20.227 ( -6.511 -2.028 -1.170) 6.919 20.922 ( 3.616 -5.561 0.017) 6.633 21.356 ( 10.558 -12.485 1.697) 16.439 21.936 ( -0.981 -4.744 -1.044) 4.956 22.043 ( 3.173 -4.007 1.296) 5.273 22.264 ( -2.234 2.706 2.352) 4.225 22.451 ( 3.623 0.726 -8.142) 8.942 22.823 ( -5.240 -1.052 10.143) 11.464 23.016 ( -0.538 -2.168 -6.176) 6.567 23.305 ( -5.834 -2.317 4.917) 7.974 23.379 ( -6.956 -3.298 -4.344) 8.839 ======================= Grid point 129 (41/102) ======================= q-point: ( 0.36 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.333 ( 3.754 -11.876 0.798) 12.481 1.448 ( 3.334 -10.703 3.651) 11.790 1.693 ( 3.955 -9.981 2.403) 11.001 1.880 ( 8.797 -2.626 -2.391) 9.487 2.115 ( 9.716 -6.250 -3.445) 12.055 2.264 ( -1.465 -5.204 -1.116) 5.520 2.383 ( 5.690 3.651 -4.758) 8.267 2.558 ( 1.058 -4.795 5.325) 7.243 2.570 ( 8.550 -12.306 0.372) 14.990 2.646 ( 0.359 0.292 1.052) 1.149 2.859 ( -0.024 0.399 0.640) 0.754 2.972 ( -3.367 0.714 1.477) 3.746 2.994 ( -3.149 -2.025 -3.592) 5.188 3.093 ( 7.477 -1.272 0.674) 7.615 3.254 ( -0.475 -3.476 -1.183) 3.702 3.318 ( -2.562 5.570 -0.124) 6.133 3.344 ( -2.136 -1.674 0.681) 2.798 3.377 ( -0.670 -3.589 -0.838) 3.746 3.454 ( 2.479 -0.922 -0.672) 2.729 3.608 ( -2.091 5.188 1.871) 5.899 3.700 ( -0.726 1.838 -1.436) 2.443 3.758 ( -0.515 0.708 -1.056) 1.372 3.910 ( -3.738 -4.331 -2.775) 6.358 3.944 ( -3.552 4.098 2.895) 6.148 4.143 ( 0.992 0.142 -0.711) 1.229 4.175 ( -0.169 2.984 6.456) 7.115 4.195 ( -0.658 -0.115 -0.207) 0.699 4.517 ( -0.087 3.578 -0.168) 3.583 4.634 ( -4.068 -3.828 -5.279) 7.685 4.732 ( 5.992 1.074 1.769) 6.339 4.859 ( 1.072 0.312 -1.996) 2.287 4.947 ( -4.713 -2.374 0.396) 5.292 5.117 ( -6.111 0.753 2.859) 6.788 5.139 ( -4.358 1.093 -1.183) 4.646 5.215 ( -0.372 -0.161 1.323) 1.383 5.371 ( -1.825 -5.925 -0.777) 6.248 5.474 ( 1.146 -0.491 -3.818) 4.016 5.607 ( -2.547 3.793 3.327) 5.652 5.678 ( 1.352 -4.383 0.420) 4.606 5.819 ( 1.010 -1.335 0.562) 1.765 6.023 ( -5.375 2.877 0.367) 6.107 6.267 ( 2.191 0.069 0.302) 2.213 6.337 ( 6.715 -0.697 -0.615) 6.779 6.367 ( 5.946 -5.764 2.417) 8.627 6.485 ( 9.673 -2.025 -3.024) 10.335 6.869 ( 2.850 3.525 2.651) 5.251 6.913 ( 6.950 2.123 -0.744) 7.305 7.059 ( 4.431 1.479 -6.718) 8.182 7.246 ( 4.836 3.218 3.521) 6.793 7.355 ( 3.837 2.066 -0.013) 4.358 7.874 ( -3.008 -1.069 1.479) 3.518 7.982 ( 10.001 5.926 -0.566) 11.639 8.042 ( 3.006 -1.952 -0.557) 3.627 8.136 ( 0.648 5.070 -4.010) 6.497 8.272 ( -7.451 3.499 5.686) 10.004 8.578 ( 1.061 -1.141 -5.800) 6.006 8.888 ( -8.910 6.179 4.941) 11.916 9.062 ( -2.681 2.473 0.458) 3.676 9.171 ( -6.726 4.132 0.276) 7.898 9.438 ( -1.322 1.285 8.195) 8.400 9.508 ( -3.607 -0.375 -0.725) 3.698 9.707 ( 6.602 0.533 -8.950) 11.134 10.216 ( -1.271 -0.260 1.153) 1.736 10.517 ( 4.583 -6.600 0.581) 8.057 10.697 ( -2.393 -2.821 -3.336) 4.982 10.711 ( 3.912 -0.970 -0.440) 4.055 10.875 ( -0.951 -3.680 2.243) 4.413 11.084 ( -0.399 -1.383 3.171) 3.483 11.234 ( 1.442 1.535 0.342) 2.134 11.247 ( 9.270 6.339 -1.831) 11.379 11.376 ( -0.373 6.907 -0.569) 6.940 11.490 ( -1.854 3.319 -0.200) 3.807 12.050 ( -1.606 4.160 -0.913) 4.552 12.129 ( 1.895 3.376 0.373) 3.889 12.394 ( 1.932 -0.819 1.189) 2.412 12.447 ( 2.839 -0.020 -0.756) 2.938 13.048 ( 1.494 -3.604 1.661) 4.240 13.064 ( -0.507 -3.504 -1.626) 3.896 13.490 ( -4.638 8.506 -0.010) 9.688 13.644 ( -1.650 5.002 -0.178) 5.270 15.935 ( 0.382 -0.156 2.161) 2.200 16.069 ( 1.506 3.724 -2.059) 4.514 17.585 ( -5.511 -2.266 -0.680) 5.997 17.930 ( -0.675 -5.596 1.540) 5.843 18.072 ( 0.281 -8.210 -0.699) 8.244 18.364 ( 12.097 7.916 -0.436) 14.464 18.553 ( -8.032 8.480 1.120) 11.734 19.096 ( 5.066 10.146 -3.298) 11.810 19.101 ( -0.600 1.125 1.781) 2.190 19.401 ( 2.804 3.865 1.075) 4.894 19.735 ( -5.490 8.395 -0.247) 10.034 20.204 ( -3.500 0.040 -0.347) 3.517 21.028 ( 2.208 -3.822 -0.080) 4.415 21.613 ( 7.502 -8.746 0.821) 11.552 22.016 ( -1.716 -5.029 -0.110) 5.315 22.065 ( -0.565 2.611 -0.058) 2.672 22.234 ( -0.361 0.553 4.168) 4.220 22.437 ( 3.272 1.440 -8.937) 9.625 22.849 ( -3.055 -2.901 8.394) 9.392 23.027 ( -0.536 -0.694 -4.099) 4.192 23.300 ( -3.591 -0.515 2.230) 4.259 23.370 ( -4.696 -1.571 -2.103) 5.380 ======================= Grid point 130 (42/102) ======================= q-point: ( 0.45 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.512 ( -2.449 -7.157 6.967) 10.284 1.635 ( 0.914 -7.848 0.361) 7.910 1.821 ( 3.256 0.554 -6.642) 7.418 2.034 ( 10.623 -7.521 -1.613) 13.115 2.157 ( -0.170 6.944 0.745) 6.986 2.304 ( 0.936 -2.076 -2.311) 3.244 2.343 ( 2.370 3.665 0.793) 4.436 2.600 ( -1.078 0.510 -1.874) 2.221 2.637 ( -2.227 -2.151 2.769) 4.154 2.821 ( -3.510 -4.336 4.580) 7.218 2.870 ( 8.198 -5.780 -0.156) 10.031 2.944 ( -0.537 -0.708 -0.759) 1.169 3.026 ( -4.300 -2.861 -3.086) 6.017 3.119 ( 3.954 2.539 -1.073) 4.820 3.189 ( -2.195 5.277 -1.122) 5.825 3.283 ( 0.050 -1.077 0.799) 1.342 3.306 ( -3.036 4.835 3.692) 6.799 3.459 ( -3.042 -1.212 3.661) 4.912 3.499 ( 2.981 -3.185 -3.091) 5.346 3.554 ( 2.624 -1.881 -1.370) 3.507 3.691 ( -0.541 1.644 1.702) 2.428 3.723 ( 0.542 1.012 -4.704) 4.842 3.846 ( -0.469 2.990 1.986) 3.620 3.983 ( -0.644 -4.409 -0.660) 4.504 4.111 ( -4.624 0.506 1.543) 4.901 4.166 ( 3.771 1.331 -1.386) 4.232 4.239 ( 1.743 -2.470 -0.307) 3.038 4.454 ( -3.576 1.622 1.985) 4.400 4.655 ( -2.283 -0.459 -2.119) 3.148 4.756 ( 5.702 1.244 0.666) 5.874 4.833 ( 0.279 1.634 0.565) 1.751 4.954 ( -4.092 -2.461 -3.651) 6.011 5.055 ( -2.835 1.848 1.710) 3.792 5.126 ( -2.409 -2.277 3.412) 4.757 5.228 ( 1.504 0.025 -1.086) 1.855 5.436 ( -3.824 1.573 0.783) 4.208 5.489 ( 1.818 -4.650 -1.972) 5.368 5.555 ( 1.379 1.986 -0.255) 2.431 5.756 ( 2.646 -3.362 0.689) 4.334 5.818 ( -2.619 1.714 1.630) 3.529 5.926 ( -2.359 2.960 -0.444) 3.811 6.281 ( 1.335 0.196 0.156) 1.358 6.424 ( 7.533 -1.722 0.134) 7.729 6.461 ( -2.144 -3.468 0.349) 4.092 6.636 ( 8.430 -5.313 -2.346) 10.237 6.770 ( -0.447 6.424 1.959) 6.731 6.949 ( 0.096 -0.980 -0.610) 1.158 7.014 ( -0.381 2.784 -1.792) 3.333 7.263 ( 1.952 -1.136 1.187) 2.551 7.337 ( 3.016 2.718 -0.668) 4.115 7.885 ( -5.537 -2.923 1.900) 6.544 7.958 ( 10.500 4.740 -3.162) 11.946 8.045 ( -2.545 1.621 -1.792) 3.509 8.104 ( 7.137 -0.535 0.363) 7.166 8.198 ( -7.227 0.301 3.482) 8.027 8.615 ( 0.520 -0.165 -1.713) 1.798 8.706 ( -5.729 3.955 -0.006) 6.961 9.018 ( 0.836 1.489 0.136) 1.712 9.076 ( -4.044 1.852 0.373) 4.463 9.435 ( -0.122 0.802 9.059) 9.095 9.506 ( -3.818 -2.243 -0.189) 4.432 9.709 ( 3.583 1.287 -8.204) 9.044 10.215 ( -0.170 -0.333 0.341) 0.506 10.637 ( 0.446 -3.454 2.125) 4.079 10.726 ( 0.123 -1.662 -3.148) 3.562 10.778 ( 3.004 -3.066 -0.300) 4.303 10.911 ( -0.928 0.486 0.978) 1.433 11.112 ( 1.008 -1.024 1.477) 2.060 11.186 ( 4.726 4.042 -1.144) 6.323 11.218 ( -0.963 1.027 -0.171) 1.418 11.267 ( -2.309 3.179 0.102) 3.931 11.438 ( 0.199 1.362 0.315) 1.412 11.983 ( -0.516 1.834 -1.395) 2.362 12.097 ( 0.252 1.338 1.553) 2.065 12.425 ( 1.110 -0.883 0.135) 1.425 12.459 ( 0.641 0.053 -0.263) 0.695 13.115 ( 0.550 -2.089 0.136) 2.164 13.150 ( 2.230 -5.370 -0.204) 5.818 13.314 ( -4.169 7.079 -0.329) 8.222 13.563 ( -0.424 2.595 0.290) 2.645 15.947 ( -0.523 -0.918 1.766) 2.059 16.022 ( 0.888 2.148 -1.758) 2.914 17.586 ( -1.632 -0.809 -0.258) 1.840 18.008 ( -0.408 -3.445 3.015) 4.596 18.183 ( -4.504 -5.969 -2.960) 8.042 18.258 ( 7.289 10.225 -3.522) 13.042 18.473 ( -2.084 -1.580 5.046) 5.684 18.962 ( 2.475 6.176 -4.164) 7.849 19.112 ( 0.265 -1.174 3.336) 3.546 19.363 ( 0.721 1.754 -0.195) 1.907 19.600 ( -2.271 3.048 -0.309) 3.814 20.183 ( -1.179 0.148 0.065) 1.190 21.086 ( 0.845 -1.239 -0.009) 1.499 21.782 ( 3.740 -4.701 0.332) 6.016 21.985 ( -1.701 3.226 -0.030) 3.647 22.087 ( -1.350 -3.395 -0.364) 3.672 22.227 ( 0.175 1.025 2.874) 3.057 22.413 ( 1.777 1.772 -5.091) 5.676 22.907 ( -0.478 -3.266 3.549) 4.846 23.012 ( -1.241 1.132 -0.430) 1.734 23.289 ( -0.481 0.111 -0.284) 0.570 23.362 ( -1.943 -0.605 -0.578) 2.116 ======================= Grid point 132 (43/102) ======================= q-point: (-0.45 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.603 ( -5.419 -3.051 8.389) 10.443 1.656 ( -0.054 7.938 -2.777) 8.410 1.776 ( 1.949 1.458 -10.388) 10.669 1.958 ( -7.031 10.052 3.995) 12.902 2.201 ( 3.582 -2.234 2.572) 4.943 2.233 ( -0.841 6.286 -2.180) 6.706 2.348 ( -4.185 -2.702 0.126) 4.983 2.606 ( 2.340 -1.330 0.157) 2.697 2.669 ( 0.659 -1.202 -1.279) 1.875 2.843 ( 0.935 0.541 3.120) 3.301 2.876 ( -7.924 7.724 -0.007) 11.066 2.936 ( 3.003 5.708 1.292) 6.578 3.010 ( -1.544 -2.644 -3.493) 4.645 3.138 ( -1.166 -2.407 -2.592) 3.724 3.171 ( 1.937 -5.700 0.168) 6.023 3.251 ( 1.023 0.086 2.182) 2.412 3.316 ( -1.047 -2.025 2.395) 3.306 3.426 ( -2.174 1.957 2.362) 3.760 3.551 ( 0.051 4.922 -1.741) 5.221 3.586 ( 0.897 -0.187 -1.769) 1.992 3.646 ( 2.502 -1.393 -0.514) 2.910 3.707 ( -1.470 -1.815 -0.102) 2.337 3.894 ( 5.785 -2.401 -1.371) 6.412 3.959 ( -2.291 4.721 1.334) 5.414 4.128 ( -3.376 -2.151 1.071) 4.144 4.152 ( 1.318 -0.666 -2.119) 2.583 4.294 ( 2.913 -1.513 -3.879) 5.082 4.431 ( -2.356 -1.412 4.393) 5.181 4.598 ( 1.008 4.867 1.620) 5.228 4.769 ( 1.766 0.532 -0.283) 1.866 4.829 ( 0.912 0.003 -0.573) 1.077 4.948 ( -2.480 -0.384 -1.201) 2.783 5.059 ( 3.016 -1.775 0.500) 3.535 5.176 ( 1.120 -2.430 1.928) 3.298 5.217 ( -0.090 1.418 -2.052) 2.496 5.383 ( -1.755 0.550 2.663) 3.237 5.491 ( 3.360 5.743 -1.137) 6.750 5.596 ( 2.997 -3.678 -2.613) 5.416 5.746 ( -4.142 2.735 1.723) 5.254 5.849 ( 2.614 -3.140 -0.536) 4.121 5.888 ( -0.116 0.219 1.817) 1.834 6.275 ( 0.124 1.140 0.410) 1.218 6.444 ( -5.203 1.383 -0.278) 5.391 6.478 ( -1.531 0.134 -1.056) 1.865 6.616 ( -5.190 4.886 -1.464) 7.277 6.759 ( -2.354 -2.560 2.489) 4.277 6.975 ( 3.097 -3.244 -2.878) 5.328 6.989 ( -2.732 -0.185 0.697) 2.825 7.278 ( -1.164 0.895 0.327) 1.504 7.324 ( -2.652 -2.292 -0.032) 3.505 7.903 ( -6.263 -3.622 2.358) 7.610 7.950 ( 8.799 3.508 -4.131) 10.334 8.038 ( -2.030 -3.137 -1.706) 4.107 8.126 ( -7.750 0.271 -0.334) 7.762 8.214 ( 8.103 -3.292 2.136) 9.003 8.497 ( -8.253 2.977 3.808) 9.564 8.807 ( 11.511 -6.153 -4.579) 13.832 9.012 ( 2.171 0.492 -0.090) 2.228 9.054 ( 1.091 -0.307 2.312) 2.575 9.445 ( 1.243 0.313 7.067) 7.183 9.521 ( -4.585 -2.356 2.288) 5.640 9.688 ( 0.868 0.404 -8.911) 8.963 10.223 ( 1.283 0.216 -0.136) 1.308 10.655 ( -3.295 1.175 2.658) 4.394 10.708 ( 0.660 3.012 -3.587) 4.730 10.798 ( -0.695 3.489 -2.043) 4.103 10.891 ( 2.092 -0.238 2.700) 3.424 11.097 ( -4.324 1.873 1.789) 5.040 11.193 ( 0.073 -2.699 -0.481) 2.743 11.219 ( -1.526 -1.660 -0.739) 2.372 11.268 ( 2.627 -3.626 0.052) 4.478 11.444 ( -0.839 -2.044 -0.052) 2.210 11.979 ( 0.791 -1.622 -1.153) 2.141 12.093 ( -1.385 -1.032 1.725) 2.441 12.437 ( -0.506 -0.376 -0.625) 0.888 12.451 ( -0.731 0.810 0.228) 1.115 13.106 ( -0.439 3.320 0.437) 3.377 13.169 ( -2.793 4.046 -1.141) 5.047 13.298 ( 3.490 -7.016 0.576) 7.858 13.566 ( 1.739 -2.419 0.066) 2.980 15.970 ( -1.848 -2.082 2.249) 3.579 15.999 ( 1.332 0.756 -2.256) 2.727 17.585 ( 1.590 0.876 -0.191) 1.825 18.058 ( 1.392 0.163 3.019) 3.329 18.128 ( 4.510 7.492 -3.390) 9.379 18.237 ( -8.868 -6.567 -0.804) 11.064 18.513 ( 2.414 -1.241 2.162) 3.470 18.921 ( -1.050 -2.193 -1.282) 2.748 19.148 ( -1.204 -2.404 0.588) 2.753 19.357 ( -0.790 -1.416 0.103) 1.625 19.600 ( 2.031 -3.143 -0.267) 3.751 20.184 ( 1.241 -0.248 -0.028) 1.265 21.082 ( -0.763 1.649 0.177) 1.825 21.776 ( -3.884 4.800 0.654) 6.209 21.998 ( 2.244 -3.813 -0.732) 4.484 22.097 ( 0.401 1.881 -1.120) 2.225 22.235 ( -1.265 -1.743 3.596) 4.191 22.376 ( 1.105 2.163 -3.908) 4.601 22.947 ( -1.504 0.757 2.621) 3.115 22.984 ( 0.883 -0.122 -0.293) 0.939 23.292 ( 2.028 0.206 -0.394) 2.077 23.361 ( 1.504 0.344 -0.546) 1.636 ======================= Grid point 133 (44/102) ======================= q-point: (-0.36 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.396 ( -4.866 15.883 -2.370) 16.780 1.482 ( -5.867 12.453 0.802) 13.789 1.710 ( -10.231 9.992 3.266) 14.669 1.818 ( 0.340 -3.738 0.287) 3.764 2.103 ( -5.594 6.168 -2.628) 8.732 2.204 ( 0.752 3.621 1.578) 4.020 2.343 ( -5.321 -2.343 -2.811) 6.458 2.556 ( -11.491 13.187 1.491) 17.555 2.622 ( -2.139 3.568 4.770) 6.329 2.694 ( 2.682 -0.206 -4.463) 5.211 2.847 ( -3.102 2.352 0.475) 3.922 2.924 ( 3.562 3.283 1.404) 5.043 3.009 ( 1.331 -0.281 -0.843) 1.600 3.153 ( -2.069 -2.777 -3.716) 5.079 3.226 ( -1.090 3.036 1.233) 3.453 3.307 ( 0.486 -2.552 0.139) 2.601 3.350 ( 2.044 1.299 -0.609) 2.497 3.384 ( -0.501 -1.917 2.054) 2.854 3.445 ( 1.486 1.733 -2.234) 3.194 3.599 ( -1.092 -1.644 1.024) 2.223 3.709 ( 2.684 -2.230 -1.255) 3.708 3.759 ( 1.177 -3.257 -0.142) 3.466 3.873 ( 2.657 4.421 0.590) 5.191 3.937 ( 3.621 1.075 1.694) 4.140 4.124 ( -2.815 -1.087 2.117) 3.686 4.182 ( -3.348 -2.181 0.366) 4.013 4.315 ( 4.871 0.501 -2.885) 5.683 4.499 ( 0.581 -4.026 2.569) 4.811 4.560 ( 3.530 -0.594 -1.983) 4.092 4.759 ( -2.046 0.168 -0.255) 2.069 4.829 ( 1.028 0.641 -1.651) 2.047 4.936 ( -1.725 0.501 2.229) 2.863 5.114 ( 5.320 0.940 1.233) 5.542 5.179 ( 0.462 0.229 -2.461) 2.515 5.236 ( 3.811 -0.690 0.883) 3.972 5.382 ( 3.597 2.038 -1.257) 4.321 5.434 ( 4.102 1.062 -1.456) 4.480 5.647 ( -1.977 1.954 1.770) 3.295 5.669 ( -1.585 0.471 -0.242) 1.671 5.829 ( -0.861 3.343 -0.059) 3.453 5.969 ( 3.378 -3.742 3.316) 6.034 6.245 ( -1.472 1.908 0.838) 2.551 6.354 ( -10.053 0.897 -0.519) 10.107 6.415 ( -9.093 3.223 2.610) 9.994 6.472 ( -2.004 4.469 -5.401) 7.291 6.834 ( -7.577 -8.737 2.651) 11.865 6.959 ( -4.730 0.324 1.209) 4.892 7.012 ( 1.002 1.649 -5.511) 5.839 7.289 ( -4.896 -5.642 -0.067) 7.470 7.343 ( -4.814 -2.430 0.717) 5.440 7.925 ( -8.581 -4.024 3.118) 9.977 7.942 ( 4.364 1.681 -3.664) 5.941 8.051 ( -3.559 0.531 1.266) 3.815 8.123 ( -1.426 -4.771 -4.645) 6.809 8.344 ( 6.385 -4.075 3.337) 8.277 8.466 ( -0.158 -2.510 -0.469) 2.558 8.964 ( 6.080 -2.534 1.267) 6.708 9.038 ( 2.277 -1.368 0.844) 2.787 9.129 ( 7.235 -4.964 1.650) 8.928 9.481 ( 1.661 -1.865 4.188) 4.876 9.514 ( -4.431 0.574 4.107) 6.069 9.692 ( 0.905 -2.910 -11.118) 11.528 10.214 ( 0.456 1.937 1.255) 2.353 10.536 ( -4.348 7.304 -0.272) 8.504 10.667 ( 1.075 2.450 -0.787) 2.789 10.725 ( -0.444 1.857 -2.165) 2.886 10.898 ( 2.464 2.845 0.470) 3.793 11.059 ( -6.736 -2.166 4.864) 8.586 11.231 ( -3.213 -2.750 0.073) 4.230 11.242 ( -2.264 -2.609 -1.119) 3.631 11.380 ( -0.145 -6.220 -0.725) 6.264 11.492 ( 1.099 -3.115 -0.325) 3.319 12.042 ( 2.305 -4.044 -0.440) 4.676 12.121 ( -2.701 -3.638 0.753) 4.594 12.422 ( -2.765 0.826 1.283) 3.158 12.430 ( -2.004 -0.067 -1.512) 2.512 13.033 ( -0.388 3.634 1.043) 3.800 13.086 ( -0.638 3.554 -1.410) 3.876 13.471 ( 3.536 -8.726 0.984) 9.466 13.653 ( 2.987 -4.718 -0.638) 5.621 15.990 ( -1.505 -1.040 1.593) 2.425 16.016 ( -0.554 -2.644 -1.550) 3.115 17.580 ( 5.148 2.422 -0.347) 5.700 17.991 ( 0.376 7.082 -2.660) 7.575 18.030 ( 2.086 7.229 2.391) 7.894 18.317 ( -12.471 -10.535 2.058) 16.455 18.604 ( 7.463 -6.249 -1.599) 9.864 19.003 ( -2.360 -7.468 2.080) 8.104 19.178 ( -3.752 -3.481 -2.747) 5.809 19.407 ( -1.512 -4.845 0.754) 5.131 19.733 ( 4.822 -8.621 -0.132) 9.879 20.203 ( 3.886 0.469 -0.323) 3.928 21.020 ( -2.285 3.977 0.367) 4.601 21.619 ( -7.573 7.771 0.537) 10.864 22.033 ( 1.558 5.422 -1.851) 5.937 22.069 ( 0.046 -1.678 0.323) 1.709 22.256 ( -2.694 -0.860 6.804) 7.369 22.364 ( 3.055 -1.013 -7.853) 8.487 22.894 ( -2.443 3.194 7.035) 8.103 23.010 ( 3.189 -0.527 -4.980) 5.937 23.300 ( 2.546 1.408 2.120) 3.599 23.375 ( 6.130 0.705 -2.234) 6.562 ======================= Grid point 134 (45/102) ======================= q-point: (-0.27 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.067 ( -6.842 14.184 -2.990) 16.029 1.175 ( -8.892 14.316 0.512) 16.860 1.411 ( -6.827 15.748 0.762) 17.181 1.882 ( -10.180 5.593 -8.494) 14.390 1.902 ( -5.536 2.166 11.216) 12.694 2.089 ( -1.854 9.843 1.783) 10.173 2.163 ( -10.989 13.695 -0.253) 17.560 2.409 ( -13.835 6.554 4.424) 15.935 2.500 ( 1.027 -1.071 -1.384) 2.029 2.618 ( -0.477 4.095 -5.015) 6.492 2.780 ( -0.088 4.001 -5.084) 6.470 2.850 ( 0.272 5.858 1.336) 6.015 3.013 ( -2.719 1.282 0.371) 3.029 3.089 ( -7.185 4.362 2.571) 8.790 3.238 ( 7.364 -2.704 -5.606) 9.642 3.316 ( 3.231 2.260 1.375) 4.176 3.352 ( 0.289 -2.858 2.561) 3.849 3.410 ( -1.143 -0.446 2.934) 3.180 3.539 ( 2.512 -5.130 -3.107) 6.503 3.628 ( 0.067 -3.280 -2.475) 4.109 3.747 ( 1.073 -0.422 0.954) 1.496 3.827 ( 3.137 -0.205 -1.598) 3.527 3.855 ( 7.658 -0.483 -1.303) 7.783 3.966 ( 3.864 -1.652 1.907) 4.615 4.092 ( -3.082 2.054 4.536) 5.856 4.251 ( 1.724 -5.325 1.963) 5.932 4.346 ( 2.315 -1.748 -0.398) 2.929 4.552 ( 0.530 -2.487 1.053) 2.753 4.637 ( -2.854 -5.126 -2.998) 6.588 4.758 ( 0.408 -0.950 1.087) 1.500 4.810 ( -0.892 0.720 -2.882) 3.101 4.902 ( -2.191 1.468 0.821) 2.762 5.104 ( 5.007 4.094 0.385) 6.479 5.198 ( 3.950 -0.693 0.219) 4.017 5.282 ( 6.996 -1.443 -2.071) 7.438 5.409 ( 7.677 0.615 -2.037) 7.966 5.444 ( -1.701 1.386 0.366) 2.225 5.545 ( -1.069 2.616 -0.096) 2.827 5.698 ( -0.966 -1.900 1.875) 2.839 5.739 ( -0.889 5.598 1.560) 5.879 6.035 ( -0.778 -0.940 0.178) 1.233 6.170 ( -6.394 3.845 1.549) 7.620 6.241 ( -6.362 2.616 2.572) 7.344 6.366 ( 0.947 -0.907 -0.448) 1.386 6.413 ( -6.863 -1.803 -2.965) 7.690 6.890 ( -7.902 -1.631 5.375) 9.695 6.924 ( -2.472 2.202 -5.514) 6.432 6.981 ( -8.575 -6.352 -1.614) 10.793 7.338 ( -3.747 -0.697 -0.292) 3.823 7.373 ( -6.557 -7.572 -2.936) 10.438 7.896 ( -9.991 0.462 3.831) 10.710 7.949 ( 0.923 -0.537 -4.705) 4.824 8.060 ( 1.402 -2.375 2.506) 3.727 8.160 ( -3.716 -2.896 -3.773) 6.036 8.482 ( 3.633 -6.783 3.771) 8.569 8.550 ( 5.115 -4.216 -2.587) 7.115 9.003 ( 4.433 2.189 3.536) 6.079 9.081 ( -0.277 -1.647 1.572) 2.294 9.305 ( 4.045 -8.124 2.957) 9.545 9.461 ( -5.826 1.603 6.406) 8.806 9.547 ( 1.944 -2.786 -1.023) 3.548 9.745 ( 1.414 -3.877 -10.484) 11.267 10.182 ( 0.306 0.884 1.368) 1.657 10.389 ( -4.394 4.279 -0.243) 6.138 10.635 ( 1.957 2.120 0.515) 2.931 10.716 ( 0.762 -0.591 -1.761) 2.008 10.858 ( 2.910 2.579 -1.424) 4.141 11.072 ( -3.784 -1.663 4.772) 6.313 11.233 ( -6.156 -1.426 1.059) 6.407 11.274 ( -3.474 -3.114 -1.030) 4.778 11.458 ( -3.482 -4.034 -0.916) 5.407 11.552 ( 1.352 -2.228 0.353) 2.630 12.126 ( 1.315 -3.035 -0.157) 3.312 12.199 ( 0.572 -6.220 -0.767) 6.293 12.393 ( -5.635 -0.869 1.569) 5.914 12.408 ( -4.522 -0.656 -1.209) 4.727 12.990 ( 0.379 1.512 1.699) 2.306 13.032 ( 1.103 2.225 -1.699) 3.009 13.652 ( 2.421 -8.428 1.785) 8.948 13.762 ( 3.760 -4.807 -1.807) 6.365 16.006 ( -0.484 -1.626 -0.562) 1.787 16.062 ( -4.601 -4.782 0.888) 6.695 17.572 ( 8.655 4.351 0.120) 9.688 17.846 ( -0.182 7.862 -1.358) 7.980 17.900 ( -1.017 7.717 1.094) 7.860 18.413 ( -15.416 -10.679 0.952) 18.778 18.830 ( 9.739 -11.034 -1.581) 14.802 19.140 ( 0.116 -7.452 2.574) 7.885 19.229 ( -7.011 -8.770 -2.127) 11.428 19.500 ( -3.152 -7.158 -0.746) 7.857 19.960 ( 6.070 -11.830 0.160) 13.297 20.212 ( 7.816 3.677 -0.288) 8.643 20.913 ( -4.126 5.357 0.519) 6.781 21.389 ( -11.310 10.412 -0.070) 15.373 21.928 ( 1.547 7.124 -0.880) 7.343 22.031 ( -3.535 3.783 2.194) 5.623 22.293 ( 0.071 -3.114 2.843) 4.218 22.397 ( 2.307 -1.339 -6.479) 7.007 22.845 ( -1.026 2.431 8.277) 8.688 23.022 ( 3.791 0.639 -6.669) 7.697 23.282 ( 3.181 3.728 4.122) 6.404 23.412 ( 9.752 1.372 -4.051) 10.649 ======================= Grid point 135 (46/102) ======================= q-point: (-0.18 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.776 ( -9.410 12.780 0.880) 15.896 0.922 ( -6.987 5.819 -3.228) 9.649 1.076 ( -5.021 15.554 0.825) 16.366 1.598 ( -6.462 12.618 -10.209) 17.470 1.668 ( -19.196 17.675 4.593) 26.495 1.735 ( -12.526 22.346 2.475) 25.737 1.965 ( 0.225 6.613 7.149) 9.742 2.213 ( -11.549 0.202 5.022) 12.596 2.592 ( 0.694 -1.031 -3.975) 4.164 2.606 ( 6.073 1.568 -6.799) 9.251 2.688 ( -6.075 8.818 2.730) 11.051 2.712 ( -1.340 -4.514 -5.036) 6.895 2.948 ( -1.072 2.282 1.444) 2.906 3.012 ( -6.264 0.562 1.812) 6.545 3.277 ( 4.933 0.381 -2.092) 5.372 3.354 ( 6.474 -0.126 -0.791) 6.523 3.398 ( -1.246 -1.161 3.190) 3.616 3.412 ( -3.882 -1.358 1.324) 4.321 3.588 ( -0.615 -0.292 1.526) 1.671 3.710 ( 4.829 -3.391 -6.920) 9.094 3.758 ( -0.782 -0.933 1.798) 2.171 3.828 ( 3.460 1.333 -2.006) 4.215 3.943 ( 5.594 -1.404 -0.763) 5.817 4.031 ( 8.232 2.384 -1.162) 8.648 4.080 ( -2.844 -4.507 4.136) 6.745 4.316 ( 1.726 0.528 0.186) 1.814 4.443 ( -3.915 -9.792 1.655) 10.675 4.623 ( 3.620 -4.074 2.310) 5.920 4.697 ( -5.857 -6.180 -1.777) 8.698 4.762 ( 2.531 0.947 -0.694) 2.790 4.784 ( -5.651 0.394 6.381) 8.533 4.899 ( 1.442 -1.815 -8.791) 9.092 5.074 ( 6.504 2.462 -1.638) 7.144 5.248 ( 6.304 2.280 -0.935) 6.768 5.321 ( -6.865 0.989 6.844) 9.744 5.394 ( 7.396 -3.715 -1.948) 8.503 5.464 ( 6.235 1.184 -2.812) 6.941 5.562 ( 7.155 -0.123 -4.652) 8.535 5.625 ( -1.609 6.454 4.358) 7.951 5.732 ( -4.323 -3.176 0.442) 5.382 5.963 ( -6.205 3.701 -0.693) 7.258 6.090 ( -2.963 2.135 -0.741) 3.727 6.195 ( -4.451 -0.685 4.378) 6.281 6.349 ( -7.222 -0.250 -1.187) 7.323 6.470 ( 4.300 -4.857 -0.272) 6.493 6.848 ( -4.390 1.591 1.896) 5.039 6.862 ( -3.345 0.870 -2.124) 4.057 7.016 ( -11.406 -4.484 -0.310) 12.260 7.301 ( -4.151 1.601 -0.843) 4.528 7.428 ( -7.357 -4.884 -8.250) 12.085 7.806 ( -9.178 1.909 4.827) 10.544 7.917 ( -0.529 2.761 -8.339) 8.800 8.152 ( 1.108 -6.092 3.400) 7.064 8.208 ( -1.953 -6.035 0.108) 6.344 8.631 ( -2.120 -5.945 8.336) 10.456 8.675 ( 10.298 -5.214 -6.740) 13.367 8.974 ( 2.445 4.700 4.321) 6.837 9.082 ( -2.158 0.659 -0.292) 2.275 9.374 ( -4.558 1.583 5.752) 7.508 9.478 ( 0.805 -2.121 -1.295) 2.613 9.625 ( -6.706 -11.232 5.936) 14.365 9.782 ( -1.618 -2.590 -5.609) 6.386 10.239 ( 5.174 -5.004 -2.191) 7.524 10.356 ( -2.599 -4.322 0.218) 5.048 10.625 ( 1.830 0.470 0.596) 1.981 10.728 ( -0.408 -0.517 -1.363) 1.514 10.864 ( 6.930 0.840 -0.221) 6.984 11.072 ( -0.118 0.859 1.745) 1.949 11.188 ( -5.552 2.388 1.504) 6.228 11.293 ( -4.979 -2.652 0.374) 5.654 11.460 ( -5.341 -0.471 -2.070) 5.747 11.603 ( -2.899 -3.998 2.241) 5.423 12.171 ( 1.654 -1.427 -1.100) 2.445 12.302 ( 5.343 -0.666 -0.579) 5.415 12.388 ( -7.014 -1.841 0.026) 7.252 12.397 ( -10.699 -7.760 0.266) 13.220 12.987 ( 0.242 -0.266 1.811) 1.847 13.012 ( 1.720 1.019 -1.286) 2.378 13.799 ( 0.861 -5.816 2.319) 6.320 13.867 ( 4.439 -3.885 -3.267) 6.744 16.041 ( 2.292 -2.369 -4.474) 5.558 16.133 ( -12.685 -10.237 5.961) 17.356 17.534 ( 7.468 7.318 2.274) 10.700 17.725 ( -2.662 5.406 1.129) 6.131 17.777 ( 7.142 6.170 -2.989) 9.900 18.431 ( -22.731 -5.954 -4.412) 23.909 19.079 ( 10.242 -6.991 2.033) 12.566 19.277 ( -4.557 -11.609 -0.419) 12.478 19.411 ( -2.810 -14.081 2.209) 14.528 19.601 ( -4.532 -7.652 -3.423) 9.529 20.173 ( 14.163 9.178 1.302) 16.927 20.226 ( 5.526 -11.563 0.064) 12.816 20.777 ( -7.059 5.199 0.588) 8.787 21.079 ( -14.793 13.108 -3.072) 20.002 21.815 ( 0.885 5.927 2.754) 6.595 21.939 ( -3.071 3.268 0.440) 4.506 22.354 ( -0.235 -2.797 1.506) 3.185 22.408 ( 1.501 0.146 -4.224) 4.486 22.828 ( 1.253 1.532 6.912) 7.190 23.016 ( 3.339 1.294 -6.347) 7.288 23.229 ( 3.834 6.224 4.604) 8.639 23.434 ( 11.977 4.575 -7.393) 14.799 ======================= Grid point 136 (47/102) ======================= q-point: (-0.09 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.507 ( -13.556 7.536 13.425) 20.513 0.678 ( -4.687 16.615 15.487) 23.192 0.930 ( -1.314 -0.005 -17.786) 17.834 1.116 ( -20.139 24.228 19.747) 37.183 1.269 ( -17.211 13.108 -14.221) 25.890 1.413 ( 8.749 7.798 -14.181) 18.397 1.903 ( 5.045 3.425 7.849) 9.939 2.199 ( -8.149 -5.747 -0.737) 9.999 2.430 ( -5.573 10.299 1.260) 11.778 2.482 ( -0.842 6.079 -5.521) 8.255 2.721 ( -2.372 -4.360 8.253) 9.630 2.847 ( 0.386 -8.204 -2.419) 8.562 2.926 ( 0.401 0.216 3.478) 3.508 3.035 ( -0.320 -6.866 -3.066) 7.526 3.314 ( 1.177 -0.627 0.236) 1.354 3.367 ( -0.302 -0.038 -0.757) 0.815 3.406 ( -1.133 -1.089 -0.410) 1.624 3.413 ( -0.027 -0.907 -0.634) 1.107 3.552 ( 3.388 5.277 0.685) 6.308 3.703 ( -1.563 5.192 -4.896) 7.305 3.778 ( -5.698 -2.770 3.462) 7.220 3.845 ( 5.922 -0.583 -5.238) 7.928 3.954 ( 3.356 2.538 1.800) 4.576 4.025 ( 4.431 3.673 -1.612) 5.977 4.161 ( -1.032 -3.602 3.026) 4.816 4.323 ( -2.850 -2.861 -6.565) 7.707 4.607 ( -0.089 -8.238 5.247) 9.768 4.724 ( -1.275 -1.725 2.259) 3.115 4.746 ( -0.621 -3.021 2.478) 3.956 4.767 ( -2.830 -5.944 -2.146) 6.924 4.800 ( -2.201 -1.727 1.884) 3.373 4.902 ( 2.783 1.114 -8.633) 9.139 5.113 ( 5.631 -1.213 -0.019) 5.760 5.196 ( -1.982 1.049 -1.124) 2.509 5.354 ( 3.330 -1.182 5.789) 6.783 5.459 ( 10.669 4.440 -5.341) 12.731 5.484 ( 2.685 2.251 -0.693) 3.572 5.534 ( 2.921 0.941 3.057) 4.332 5.608 ( 7.525 0.580 -3.451) 8.299 5.692 ( -24.552 -2.536 -5.198) 25.224 5.915 ( 3.021 -0.461 2.702) 4.079 6.016 ( -3.568 2.733 -0.975) 4.599 6.208 ( -6.628 -3.630 4.738) 8.920 6.285 ( -7.635 -0.198 -3.169) 8.269 6.603 ( 6.568 -4.056 2.189) 8.024 6.792 ( 0.614 4.133 3.910) 5.723 6.821 ( -5.027 -0.903 -4.563) 6.849 6.956 ( -5.657 3.376 -3.312) 7.373 7.214 ( -4.675 4.349 1.443) 6.546 7.379 ( -12.671 -0.551 -10.290) 16.332 7.732 ( -8.760 0.435 6.041) 10.650 7.849 ( 2.745 2.441 -8.592) 9.345 8.299 ( 0.206 -7.943 3.376) 8.634 8.335 ( 2.898 -7.512 1.040) 8.119 8.689 ( -4.831 -0.717 8.147) 9.499 8.790 ( 7.483 0.151 -6.589) 9.972 8.917 ( 3.058 3.567 5.289) 7.075 9.069 ( -0.207 -1.876 -2.661) 3.262 9.322 ( -5.844 1.267 8.098) 10.066 9.457 ( 2.972 2.016 -7.828) 8.612 9.811 ( -1.441 -4.718 2.767) 5.656 9.905 ( -16.150 -23.485 4.857) 28.913 10.403 ( 0.946 -11.576 4.991) 12.642 10.514 ( 5.187 -12.411 -4.471) 14.175 10.661 ( 3.944 -2.155 -0.320) 4.505 10.725 ( -1.851 -0.380 -0.681) 2.008 10.897 ( 6.462 1.929 0.786) 6.789 11.025 ( -5.306 4.310 -2.128) 7.159 11.098 ( 3.504 4.461 4.751) 7.399 11.298 ( -3.237 -1.409 -0.133) 3.533 11.412 ( -4.337 0.723 -2.589) 5.103 11.614 ( -23.697 -4.304 -5.357) 24.673 12.231 ( 8.307 -2.471 2.453) 9.007 12.310 ( 1.200 0.465 -0.831) 1.532 12.360 ( -5.786 -0.751 1.346) 5.988 12.481 ( -8.122 -6.816 0.366) 10.610 12.999 ( -0.190 -0.381 0.860) 0.960 13.007 ( 0.903 0.618 -0.344) 1.147 13.879 ( 0.195 -2.273 1.341) 2.647 13.928 ( 3.586 0.327 -3.939) 5.336 16.119 ( 9.987 -3.182 -6.389) 12.276 16.293 ( -33.656 -25.082 7.846) 42.701 17.457 ( 4.903 5.941 4.120) 8.736 17.600 ( -3.713 5.400 -0.579) 6.579 17.795 ( 18.599 3.468 -3.581) 19.255 18.198 ( -28.735 10.509 -10.959) 32.500 19.263 ( 12.568 -6.358 6.711) 15.602 19.489 ( -8.900 -15.234 2.525) 17.823 19.627 ( -1.418 -9.694 1.021) 9.850 19.673 ( 1.066 -1.992 -4.808) 5.312 20.104 ( 15.813 9.367 3.720) 18.752 20.429 ( -4.640 -7.137 -1.427) 8.632 20.636 ( -5.025 6.329 -2.033) 8.333 20.688 ( -15.335 14.445 -7.123) 22.239 21.789 ( 0.597 -2.771 6.462) 7.057 21.890 ( -1.903 0.015 -0.618) 2.001 22.380 ( -1.083 -0.036 1.042) 1.503 22.410 ( 1.477 -0.304 -2.532) 2.947 22.839 ( 3.162 0.182 5.435) 6.290 23.003 ( 1.855 0.711 -4.946) 5.330 23.141 ( 3.194 7.076 2.548) 8.171 23.338 ( 8.899 14.957 -12.937) 21.686 ======================= Grid point 138 (48/102) ======================= q-point: ( 0.09 0.09 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 102 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.634 ( 12.070 -0.000 16.373) 20.341 0.716 ( -2.958 0.000 25.631) 25.801 0.872 ( 9.597 -0.000 -16.189) 18.820 0.970 ( 16.626 -0.000 -10.132) 19.470 1.013 ( 34.167 -0.000 12.027) 36.222 1.583 ( 20.910 -0.000 -21.970) 30.330 1.990 ( -0.084 0.000 -8.710) 8.710 2.144 ( 8.517 -0.000 11.598) 14.389 2.341 ( 5.468 -0.000 4.544) 7.110 2.486 ( 10.062 -0.000 -3.830) 10.766 2.811 ( 2.242 -0.000 7.418) 7.749 2.849 ( -5.414 0.000 5.235) 7.531 2.955 ( -3.629 0.000 1.568) 3.953 3.038 ( -10.509 0.000 -1.233) 10.581 3.228 ( 6.140 -0.000 5.326) 8.128 3.300 ( -3.637 0.000 -1.955) 4.130 3.424 ( -2.898 0.000 -2.524) 3.843 3.483 ( 3.174 -0.000 -3.721) 4.891 3.550 ( 3.764 -0.000 3.165) 4.918 3.557 ( 4.896 -0.000 -6.560) 8.186 3.699 ( -0.600 0.000 4.364) 4.405 3.879 ( -6.398 0.000 0.922) 6.464 3.950 ( -1.242 0.000 1.621) 2.042 3.957 ( 2.402 -0.000 -3.663) 4.380 4.267 ( 2.153 -0.000 2.768) 3.507 4.454 ( 14.779 -0.000 -12.589) 19.414 4.609 ( -8.158 0.000 7.890) 11.349 4.616 ( -9.716 0.000 4.397) 10.665 4.753 ( -4.962 0.000 -3.300) 5.959 4.826 ( 8.102 -0.000 1.897) 8.321 4.855 ( -2.033 0.000 -2.039) 2.879 4.880 ( -6.259 0.000 4.012) 7.435 5.057 ( -1.200 0.000 2.434) 2.714 5.168 ( -1.305 0.000 1.301) 1.843 5.184 ( -0.731 0.000 0.608) 0.951 5.301 ( -4.282 0.000 -1.611) 4.575 5.432 ( -11.500 0.000 4.757) 12.445 5.521 ( -11.423 0.000 -2.161) 11.625 5.703 ( -0.638 0.000 4.993) 5.033 5.723 ( 16.840 -0.000 -12.123) 20.750 5.949 ( -2.636 0.000 -3.576) 4.442 5.980 ( 2.974 -0.000 4.357) 5.276 6.364 ( 5.432 -0.000 -1.035) 5.529 6.370 ( 11.540 -0.000 -1.700) 11.665 6.644 ( -4.531 0.000 1.458) 4.760 6.697 ( 0.897 -0.000 1.806) 2.017 6.868 ( 6.581 -0.000 -5.666) 8.684 6.949 ( 16.150 -0.000 -2.941) 16.416 7.223 ( 3.374 -0.000 11.010) 11.515 7.489 ( 21.833 -0.000 -12.035) 24.930 7.682 ( 4.774 -0.000 2.886) 5.578 7.899 ( 5.347 -0.000 -4.580) 7.040 8.344 ( -6.436 0.000 1.455) 6.599 8.529 ( -2.767 0.000 4.337) 5.145 8.611 ( 7.424 -0.000 -11.545) 13.726 8.933 ( 2.185 -0.000 -0.169) 2.191 8.984 ( -4.327 0.000 -5.550) 7.037 9.033 ( 3.859 -0.000 -1.185) 4.037 9.348 ( 14.197 -0.000 -6.790) 15.737 9.541 ( 9.198 -0.000 -8.949) 12.833 9.567 ( -31.111 0.000 26.575) 40.916 9.925 ( -0.259 0.000 12.210) 12.212 10.438 ( -4.935 0.000 -2.777) 5.663 10.599 ( -8.886 0.000 0.204) 8.888 10.667 ( -10.257 0.000 3.453) 10.822 10.705 ( -6.261 0.000 1.172) 6.370 10.914 ( 1.073 -0.000 3.143) 3.321 10.933 ( 5.667 -0.000 -0.450) 5.685 10.977 ( 2.208 -0.000 2.272) 3.169 11.309 ( 4.709 -0.000 3.218) 5.703 11.401 ( 7.621 -0.000 3.100) 8.227 11.660 ( 19.322 -0.000 8.592) 21.146 12.258 ( -4.258 0.000 1.208) 4.426 12.288 ( -7.627 0.000 -2.425) 8.003 12.470 ( 16.326 -0.000 -0.340) 16.330 12.763 ( 12.964 -0.000 -9.142) 15.863 12.979 ( -1.005 0.000 0.094) 1.009 13.037 ( 4.749 -0.000 -1.380) 4.945 13.881 ( -1.782 0.000 -0.233) 1.798 13.887 ( -2.417 0.000 -0.037) 2.417 15.910 ( -3.379 0.000 6.456) 7.286 16.587 ( 11.348 -0.000 17.899) 21.193 17.388 ( -2.026 0.000 -0.972) 2.247 17.508 ( 1.697 -0.000 -2.375) 2.919 17.930 ( 10.399 -0.000 -2.669) 10.737 18.079 ( 15.707 -0.000 -7.358) 17.344 19.345 ( -15.860 0.000 -2.899) 16.123 19.430 ( -19.219 0.000 -0.701) 19.232 19.741 ( 4.618 -0.000 -0.613) 4.659 20.048 ( 5.472 -0.000 0.439) 5.490 20.144 ( 29.061 -0.000 -14.009) 32.262 20.257 ( 10.299 -0.000 5.940) 11.889 20.587 ( 3.514 -0.000 0.955) 3.642 20.632 ( 8.106 -0.000 -0.857) 8.152 21.894 ( 0.695 -0.000 0.625) 0.935 21.907 ( 2.498 -0.000 -0.548) 2.558 22.380 ( 0.678 -0.000 1.590) 1.729 22.420 ( 0.877 -0.000 -2.103) 2.279 22.683 ( -23.846 0.000 11.896) 26.648 22.913 ( -4.832 0.000 2.513) 5.447 23.021 ( -3.020 0.000 0.874) 3.144 23.064 ( -3.447 0.000 -0.933) 3.571 ======================= Grid point 139 (49/102) ======================= q-point: ( 0.18 0.09 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.712 ( 14.023 -2.842 10.330) 17.647 0.991 ( 15.424 -4.408 -11.569) 19.778 1.050 ( 5.052 -19.719 17.004) 26.524 1.139 ( 15.474 -6.961 -12.992) 21.370 1.435 ( 32.133 -13.220 8.977) 35.887 1.733 ( 19.104 -4.110 -9.261) 21.625 2.022 ( 9.337 -1.150 -8.671) 12.794 2.240 ( 8.915 -2.175 6.346) 11.157 2.435 ( 5.522 -3.771 2.162) 7.028 2.579 ( 0.836 -0.716 1.136) 1.581 2.719 ( 2.101 1.956 0.441) 2.904 2.882 ( -3.602 0.057 3.383) 4.942 2.928 ( 3.908 -1.685 -0.123) 4.257 2.976 ( -2.986 0.666 -1.060) 3.237 3.226 ( -3.819 1.739 -1.162) 4.354 3.294 ( 4.095 0.281 -0.938) 4.210 3.430 ( -2.771 -0.545 1.536) 3.214 3.477 ( -1.322 0.171 -0.070) 1.334 3.561 ( 3.373 -2.065 -5.519) 6.790 3.625 ( -1.147 0.747 3.721) 3.965 3.734 ( 0.209 -1.653 0.147) 1.672 3.835 ( -6.545 -0.103 0.183) 6.549 3.927 ( -0.170 -0.897 -1.478) 1.737 3.956 ( -1.717 1.904 -0.547) 2.621 4.263 ( 0.207 2.734 1.246) 3.012 4.411 ( 2.490 6.452 -3.983) 7.981 4.555 ( -5.355 1.254 4.464) 7.084 4.571 ( -2.754 2.263 0.373) 3.584 4.674 ( -5.489 1.545 -0.668) 5.741 4.746 ( -9.530 4.218 3.759) 11.079 4.868 ( 5.792 2.988 0.285) 6.524 4.915 ( 5.083 -3.150 -2.638) 6.536 5.057 ( -3.534 0.308 -1.762) 3.961 5.186 ( 2.700 -0.435 -1.180) 2.979 5.237 ( -1.295 -4.679 2.301) 5.373 5.309 ( -7.830 -5.601 0.738) 9.655 5.375 ( -8.095 -1.351 2.821) 8.678 5.430 ( -10.743 0.169 -1.301) 10.823 5.686 ( -5.928 -0.904 4.533) 7.517 5.787 ( 9.686 2.929 -7.426) 12.552 5.945 ( -1.379 -2.948 -3.936) 5.107 6.034 ( 3.071 -2.836 3.456) 5.424 6.301 ( 4.627 5.080 3.336) 7.638 6.449 ( -2.176 -0.720 -5.105) 5.596 6.576 ( 7.820 5.393 0.792) 9.532 6.741 ( 3.445 -1.307 2.891) 4.684 6.948 ( 6.308 -2.462 -3.741) 7.736 7.136 ( 14.925 -5.690 -6.368) 17.196 7.286 ( 0.978 -1.838 10.162) 10.373 7.550 ( 17.440 5.698 -10.885) 21.333 7.762 ( 9.622 -1.973 1.114) 9.885 7.926 ( 4.024 0.105 -3.034) 5.040 8.264 ( -5.023 2.965 1.585) 6.044 8.452 ( 2.870 8.169 -1.972) 8.880 8.541 ( -2.428 7.870 0.170) 8.238 8.827 ( -9.801 5.926 0.236) 11.455 9.027 ( -1.629 -3.907 0.595) 4.274 9.056 ( 6.460 -1.319 -8.120) 10.460 9.318 ( 2.558 6.116 11.136) 12.960 9.482 ( -0.022 -0.640 9.249) 9.271 9.631 ( 8.925 -1.378 -7.562) 11.779 9.874 ( 0.706 7.898 8.201) 11.408 10.346 ( 1.869 5.777 -3.805) 7.166 10.463 ( -9.083 3.694 0.537) 9.820 10.660 ( -12.454 -2.840 -2.555) 13.027 10.692 ( -3.213 -0.527 2.534) 4.126 10.831 ( 3.292 4.779 0.132) 5.805 10.961 ( 1.454 -1.417 4.577) 5.007 11.147 ( 3.687 -7.652 -0.200) 8.496 11.388 ( 6.534 -1.690 -0.757) 6.791 11.454 ( 7.807 0.463 3.992) 8.780 11.751 ( 5.782 2.370 4.475) 7.686 12.195 ( -5.261 2.218 -2.165) 6.106 12.240 ( -5.669 -1.071 -0.222) 5.773 12.552 ( 18.828 7.240 1.578) 20.234 12.706 ( 13.048 10.487 -3.263) 17.055 12.975 ( -0.958 0.387 0.526) 1.160 13.029 ( 2.383 2.947 -0.621) 3.840 13.848 ( -3.167 1.455 -0.421) 3.511 13.882 ( -3.914 0.448 -1.281) 4.143 15.921 ( 1.884 -0.033 2.449) 3.090 16.517 ( 1.148 13.219 8.945) 16.002 17.399 ( -2.320 -2.984 -0.625) 3.831 17.591 ( 3.924 -5.621 -0.229) 6.859 17.778 ( 7.736 6.593 -1.515) 10.277 18.464 ( 14.785 -10.406 -0.641) 18.091 19.144 ( -12.069 4.721 -1.213) 13.016 19.450 ( -13.760 -7.411 -0.630) 15.642 19.683 ( 3.552 8.902 -0.879) 9.624 19.837 ( 10.190 22.839 -2.897) 25.177 20.045 ( 3.361 4.278 -3.207) 6.315 20.412 ( -2.439 10.426 -0.081) 10.708 20.769 ( 19.628 -13.388 -1.804) 23.827 20.801 ( 9.691 -9.617 2.793) 13.936 21.857 ( 0.696 0.753 -0.471) 1.129 21.913 ( 4.275 0.940 2.241) 4.917 22.364 ( -0.581 2.470 0.261) 2.551 22.435 ( 1.412 -1.308 -2.145) 2.882 22.730 ( -13.612 -10.358 5.204) 17.879 22.899 ( -5.500 -2.958 -1.666) 6.463 23.073 ( -8.436 -8.790 1.061) 12.230 23.116 ( -6.777 -8.294 0.699) 10.734 ======================= Grid point 140 (50/102) ======================= q-point: ( 0.27 0.09 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.963 ( 17.238 -9.319 0.159) 19.596 1.137 ( 14.010 -2.596 -7.348) 16.032 1.358 ( 12.840 -8.443 -8.868) 17.742 1.488 ( 5.193 -20.272 14.246) 25.315 1.878 ( 13.844 -11.578 3.508) 18.385 1.977 ( 15.658 -5.604 4.053) 17.117 2.101 ( 11.092 -5.150 -4.985) 13.206 2.348 ( 2.511 -0.473 6.617) 7.093 2.513 ( 5.487 -3.351 1.013) 6.508 2.598 ( 7.156 -5.990 -9.322) 13.190 2.822 ( 2.785 4.169 -5.205) 7.227 2.871 ( 8.434 -6.461 -2.536) 10.922 2.958 ( -4.245 -1.248 2.580) 5.121 3.027 ( 1.285 -5.102 2.812) 5.965 3.194 ( 0.014 1.343 -0.455) 1.418 3.263 ( -4.465 0.766 0.852) 4.610 3.387 ( -0.904 2.728 0.967) 3.032 3.475 ( -4.468 2.345 2.561) 5.659 3.570 ( -3.332 -1.799 -0.426) 3.811 3.595 ( 3.868 2.781 -1.671) 5.049 3.728 ( -2.236 -0.455 -0.616) 2.363 3.808 ( -3.019 -1.039 -1.692) 3.614 3.865 ( -3.810 4.937 -0.312) 6.244 3.958 ( -2.540 -2.078 -0.600) 3.336 4.165 ( -4.561 4.319 0.204) 6.284 4.311 ( -1.138 5.408 1.302) 5.677 4.447 ( -1.804 8.649 0.761) 8.868 4.537 ( -3.909 -1.127 0.209) 4.074 4.638 ( -1.796 -0.386 0.651) 1.949 4.697 ( -2.974 -3.179 3.349) 5.492 4.854 ( 5.818 3.104 -0.003) 6.594 4.932 ( -3.200 1.888 -3.293) 4.964 5.041 ( -0.698 -1.908 -4.499) 4.936 5.190 ( -1.000 1.111 2.511) 2.922 5.246 ( -7.220 0.336 5.710) 9.211 5.283 ( -6.917 -0.395 -3.142) 7.608 5.401 ( -4.874 -3.978 0.764) 6.337 5.458 ( -0.102 -7.687 -0.541) 7.706 5.662 ( -8.630 -1.243 3.783) 9.504 5.777 ( 4.935 1.780 -3.296) 6.196 6.000 ( -0.144 -3.621 -2.345) 4.317 6.139 ( 4.790 -4.766 1.522) 6.927 6.292 ( 6.216 1.147 3.341) 7.150 6.373 ( -6.990 2.037 -3.550) 8.100 6.585 ( 13.715 4.150 -0.800) 14.352 6.806 ( 5.561 -1.581 2.049) 6.134 7.004 ( 2.475 -0.902 -1.316) 2.944 7.277 ( 14.262 1.353 -4.410) 14.990 7.335 ( -1.691 -2.325 4.287) 5.162 7.489 ( 14.470 11.874 -7.981) 20.348 7.872 ( 3.847 -1.849 1.520) 4.531 7.950 ( 2.800 -1.345 -0.236) 3.115 8.199 ( 1.276 2.630 0.093) 2.924 8.315 ( 6.688 8.789 -2.777) 11.388 8.390 ( -6.740 4.713 4.441) 9.346 8.660 ( -8.736 4.948 -1.106) 10.101 9.014 ( -3.185 0.690 -1.226) 3.481 9.140 ( 4.629 -0.883 -4.846) 6.760 9.264 ( -5.175 3.171 13.298) 14.618 9.510 ( 0.133 0.019 9.099) 9.100 9.672 ( 4.353 6.210 -5.717) 9.497 9.723 ( 4.688 5.414 -2.781) 7.683 10.268 ( 3.367 3.912 -2.876) 5.908 10.382 ( -1.651 -0.094 0.588) 1.755 10.609 ( -9.014 -2.048 -4.451) 10.260 10.690 ( -1.409 -0.811 3.292) 3.671 10.805 ( 2.326 1.102 0.106) 2.576 11.015 ( 1.429 -1.898 4.978) 5.516 11.267 ( 5.571 -2.245 0.266) 6.012 11.419 ( 8.401 3.272 -0.828) 9.053 11.526 ( 5.148 -0.938 1.517) 5.448 11.691 ( 1.302 6.690 -1.346) 6.947 12.139 ( -3.516 0.674 -0.398) 3.602 12.214 ( -4.097 -0.224 -0.702) 4.163 12.511 ( 11.842 8.658 0.627) 14.683 12.629 ( 16.232 10.626 -0.414) 19.406 12.960 ( -1.407 -0.272 1.347) 1.967 12.997 ( -1.718 0.175 -0.850) 1.925 13.773 ( -3.396 5.465 0.734) 6.476 13.793 ( -5.941 3.352 -1.880) 7.075 15.935 ( 0.563 0.057 1.627) 1.723 16.300 ( -1.454 10.248 0.749) 10.378 17.445 ( -3.945 -4.449 -0.631) 5.979 17.720 ( 4.416 -5.176 0.306) 6.811 17.825 ( 6.841 -3.768 0.043) 7.810 18.594 ( 7.764 3.248 3.320) 9.047 18.961 ( -10.134 7.425 -1.792) 12.691 19.358 ( 3.971 12.581 0.364) 13.197 19.507 ( 2.757 12.653 -1.906) 13.089 19.603 ( 2.906 7.905 0.446) 8.434 19.998 ( -14.628 -4.078 -2.439) 15.380 20.188 ( 1.307 12.321 -1.030) 12.432 20.947 ( 14.232 -1.952 0.029) 14.365 21.189 ( 10.335 -15.297 3.049) 18.711 21.871 ( 0.793 -1.787 -2.751) 3.375 21.993 ( 4.973 -4.609 2.493) 7.224 22.302 ( -2.224 3.203 0.532) 3.935 22.461 ( 2.243 -0.617 -4.719) 5.261 22.773 ( -7.441 -2.733 7.933) 11.215 22.931 ( -3.062 -4.504 -5.221) 7.545 23.162 ( -10.602 -8.313 1.662) 13.575 23.210 ( -8.026 -7.423 -0.301) 10.936 ======================= Grid point 141 (51/102) ======================= q-point: ( 0.36 0.09 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.220 ( 13.432 -6.727 -4.658) 15.728 1.329 ( 10.453 -8.963 1.460) 13.846 1.570 ( 7.296 -7.956 -1.397) 10.885 1.863 ( 5.890 -11.088 9.870) 15.970 2.026 ( 3.214 -4.721 -0.729) 5.757 2.114 ( 3.941 -7.915 -1.355) 8.945 2.407 ( 3.728 -6.869 -0.920) 7.870 2.431 ( 14.067 -6.914 -1.012) 15.707 2.586 ( 4.246 -0.613 1.587) 4.574 2.711 ( 8.034 3.989 -2.754) 9.383 2.830 ( 3.651 -4.210 -3.742) 6.712 2.938 ( -4.640 -1.227 2.638) 5.477 2.978 ( 1.945 -0.579 -3.811) 4.318 3.135 ( 2.696 -3.924 2.036) 5.178 3.144 ( -0.232 -0.531 -0.693) 0.904 3.280 ( -2.722 -2.756 1.488) 4.150 3.353 ( -2.231 -0.318 1.871) 2.929 3.367 ( -2.816 3.972 1.184) 5.010 3.525 ( 3.520 5.389 -2.147) 6.786 3.625 ( -1.967 -2.572 0.712) 3.315 3.735 ( -1.229 -1.254 0.163) 1.763 3.745 ( -3.257 3.791 0.556) 5.029 3.814 ( -1.917 -1.605 -5.266) 5.829 3.943 ( -3.793 0.126 -0.913) 3.904 4.124 ( -3.367 -2.608 3.081) 5.257 4.203 ( -3.833 5.236 3.966) 7.605 4.290 ( -1.054 6.597 0.544) 6.703 4.523 ( -4.108 -0.248 -0.814) 4.195 4.613 ( -0.031 2.157 -0.358) 2.187 4.768 ( 2.631 -2.032 -0.661) 3.390 4.842 ( -0.251 0.345 -6.463) 6.477 4.874 ( -3.319 -0.612 3.849) 5.119 5.043 ( -7.205 -2.181 -0.003) 7.528 5.146 ( -5.304 1.774 1.023) 5.685 5.221 ( 0.000 -0.977 0.989) 1.390 5.273 ( -1.131 -2.408 0.117) 2.663 5.450 ( -0.340 -2.744 -2.050) 3.442 5.585 ( -1.034 -6.185 0.742) 6.314 5.625 ( -4.784 -0.220 3.678) 6.038 5.792 ( 1.623 -1.094 -0.893) 2.151 6.024 ( -2.231 0.362 -1.360) 2.638 6.263 ( 1.886 -5.021 3.814) 6.581 6.298 ( -0.315 1.412 -2.871) 3.215 6.376 ( 8.437 -3.553 0.645) 9.178 6.611 ( 13.479 3.866 -1.535) 14.106 6.874 ( 3.412 -1.353 2.160) 4.259 7.015 ( 0.643 0.919 0.319) 1.166 7.249 ( 13.626 12.600 -11.065) 21.607 7.342 ( 0.154 1.952 6.169) 6.473 7.398 ( 4.110 2.649 -1.301) 5.060 7.853 ( -4.280 1.844 0.921) 4.751 8.010 ( 1.521 -1.691 2.736) 3.558 8.173 ( 1.492 2.312 -3.445) 4.409 8.246 ( 12.030 7.850 -0.598) 14.377 8.282 ( -6.173 2.785 0.120) 6.774 8.550 ( -3.900 0.271 -1.427) 4.162 8.946 ( -5.455 4.002 1.656) 6.965 9.109 ( 0.529 4.730 -0.244) 4.766 9.181 ( -9.786 2.569 7.416) 12.545 9.479 ( -4.295 6.908 -3.096) 8.703 9.528 ( 2.948 1.431 7.773) 8.436 9.760 ( 9.548 0.531 -8.350) 12.695 10.236 ( 1.843 2.061 0.236) 2.775 10.444 ( 2.938 -5.447 0.119) 6.190 10.596 ( -4.883 -3.275 -4.229) 7.243 10.715 ( 0.352 -1.716 2.056) 2.701 10.818 ( 1.093 -1.101 0.216) 1.566 11.061 ( 0.327 -1.378 4.179) 4.413 11.314 ( 7.077 2.657 0.242) 7.563 11.405 ( 7.257 4.741 0.014) 8.669 11.534 ( -0.779 2.714 -0.008) 2.824 11.567 ( 7.228 8.903 -2.089) 11.656 12.086 ( -4.125 2.160 -0.526) 4.686 12.189 ( -0.520 1.415 -0.151) 1.515 12.455 ( 6.896 5.056 0.712) 8.581 12.557 ( 11.037 8.305 -0.270) 13.815 12.986 ( -1.432 -3.187 0.413) 3.518 13.006 ( -0.447 -2.723 -0.079) 2.761 13.604 ( -5.479 8.414 -0.340) 10.047 13.696 ( -4.748 3.506 -0.345) 5.912 15.935 ( -1.113 -0.046 1.228) 1.658 16.148 ( -2.293 5.464 -0.771) 5.976 17.493 ( -2.257 -3.746 -0.514) 4.403 17.839 ( 2.244 -4.907 0.655) 5.435 17.957 ( 4.312 -5.724 -0.382) 7.177 18.547 ( 2.687 5.808 3.331) 7.214 18.718 ( -4.148 12.262 -2.216) 13.133 19.193 ( 4.087 8.534 -0.264) 9.465 19.314 ( 4.588 10.987 -0.505) 11.918 19.504 ( 0.876 5.672 0.855) 5.803 19.875 ( -7.041 8.518 -0.174) 11.053 20.072 ( -9.840 -2.886 -1.681) 10.391 21.069 ( 14.133 -0.020 0.123) 14.134 21.492 ( 6.582 -11.169 2.323) 13.171 21.921 ( 0.021 -3.946 -2.182) 4.510 22.094 ( 2.732 -0.763 1.177) 3.070 22.240 ( -2.225 0.907 2.268) 3.304 22.461 ( 2.290 0.901 -7.985) 8.356 22.791 ( -4.653 -2.748 9.817) 11.206 22.975 ( -1.477 -3.294 -5.211) 6.339 23.221 ( -7.451 -5.502 2.143) 9.507 23.257 ( -7.173 -4.772 -1.435) 8.734 ======================= Grid point 143 (52/102) ======================= q-point: ( 0.45 0.09 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.419 ( 7.522 -6.460 -1.159) 9.983 1.504 ( 1.450 -5.969 4.801) 7.796 1.771 ( 6.349 -8.172 -0.846) 10.383 2.006 ( 8.974 -3.403 -1.464) 9.709 2.214 ( -4.803 -5.698 0.943) 7.511 2.258 ( 10.495 -5.857 -4.384) 12.794 2.453 ( 4.796 7.105 -0.210) 8.575 2.511 ( -4.132 -6.280 2.310) 7.865 2.638 ( -1.978 4.229 -2.106) 5.121 2.736 ( 7.442 -4.547 0.944) 8.772 2.857 ( -1.145 -1.588 -0.228) 1.971 2.908 ( -2.252 1.174 1.132) 2.781 3.002 ( 4.200 -0.925 -0.390) 4.318 3.165 ( 0.891 1.032 1.835) 2.286 3.244 ( -0.678 -3.972 -1.819) 4.421 3.282 ( -1.660 2.505 2.522) 3.923 3.322 ( 0.124 -0.676 -0.567) 0.891 3.390 ( 2.135 -4.416 -0.927) 4.992 3.496 ( 2.554 0.334 -0.707) 2.671 3.574 ( -2.369 4.648 1.110) 5.334 3.689 ( -0.618 0.339 -1.469) 1.630 3.756 ( 1.112 1.266 -1.286) 2.120 3.836 ( -4.619 -4.526 -1.887) 6.737 3.917 ( -1.174 0.026 1.177) 1.663 4.089 ( -6.370 2.663 2.211) 7.250 4.179 ( -2.474 -3.373 3.286) 5.319 4.222 ( 2.317 1.526 -0.792) 2.886 4.478 ( -6.217 1.878 2.771) 7.061 4.590 ( 0.735 -1.154 -3.625) 3.875 4.794 ( -1.145 -1.185 -3.696) 4.047 4.832 ( -0.737 -0.457 -5.268) 5.339 4.875 ( -2.306 -0.745 3.644) 4.376 5.059 ( -3.804 -1.677 6.237) 7.495 5.087 ( -1.251 -0.588 -0.170) 1.393 5.254 ( 2.761 -0.133 -1.403) 3.100 5.338 ( -2.683 -6.358 -0.375) 6.911 5.468 ( 1.018 0.411 -2.498) 2.729 5.580 ( -2.699 0.880 1.293) 3.120 5.707 ( 2.088 -4.741 1.982) 5.547 5.820 ( -0.391 -0.634 1.511) 1.685 5.961 ( -2.547 2.867 -1.847) 4.256 6.292 ( 1.276 -0.142 -1.568) 2.027 6.360 ( -0.585 -4.169 4.254) 5.985 6.502 ( 9.134 -1.169 -1.054) 9.269 6.657 ( 11.725 0.280 -2.196) 11.932 6.888 ( -1.400 2.992 4.217) 5.356 6.973 ( 2.052 4.335 -0.866) 4.874 7.096 ( 4.326 7.401 -7.458) 11.363 7.291 ( -1.910 4.058 3.918) 5.955 7.388 ( 0.835 1.335 -0.879) 1.803 7.804 ( -5.457 -0.716 0.579) 5.534 8.023 ( -4.728 -0.068 3.201) 5.710 8.119 ( 2.672 4.637 -5.946) 8.000 8.148 ( -4.947 1.745 0.947) 5.331 8.238 ( 10.362 6.173 0.701) 12.082 8.590 ( 3.925 -3.477 -3.209) 6.147 8.787 ( -5.593 8.295 2.915) 10.420 9.043 ( -0.478 1.691 1.327) 2.202 9.075 ( -6.396 2.331 0.622) 6.835 9.394 ( -6.163 -0.996 2.965) 6.912 9.540 ( 5.028 2.237 4.329) 7.002 9.776 ( 7.545 2.998 -7.557) 11.091 10.223 ( 1.613 0.605 0.670) 1.848 10.581 ( 3.286 -5.995 0.174) 6.839 10.622 ( -4.847 -4.024 -2.159) 6.660 10.760 ( 1.928 -2.061 0.386) 2.849 10.856 ( -1.681 -2.896 0.120) 3.351 11.091 ( -0.951 -1.447 2.309) 2.886 11.263 ( 2.740 6.270 -0.327) 6.850 11.357 ( 3.790 5.490 1.068) 6.756 11.428 ( 9.013 10.726 -1.185) 14.060 11.504 ( 4.346 3.571 -0.628) 5.660 12.014 ( -2.310 2.603 -1.018) 3.626 12.143 ( -0.679 3.109 0.932) 3.316 12.444 ( 4.225 1.319 0.556) 4.460 12.504 ( 4.697 4.096 -0.397) 6.245 13.042 ( -1.250 -4.491 -0.767) 4.724 13.090 ( 2.851 -4.739 1.151) 5.649 13.413 ( -5.297 8.095 -0.463) 9.685 13.598 ( -4.368 3.234 -0.198) 5.439 15.929 ( -2.112 -0.441 1.035) 2.393 16.059 ( -2.143 2.701 -0.867) 3.555 17.543 ( -0.007 -2.853 -0.289) 2.868 17.922 ( -2.339 -4.384 1.745) 5.267 18.076 ( 2.312 -4.581 -2.270) 5.611 18.454 ( -6.221 5.302 2.094) 8.438 18.519 ( 8.753 8.783 -0.526) 12.411 19.089 ( 1.632 6.257 -4.311) 7.771 19.190 ( 5.293 7.063 4.244) 9.794 19.426 ( 0.969 3.621 -0.518) 3.784 19.674 ( -3.227 8.342 0.128) 8.945 20.065 ( -13.137 -5.678 -0.430) 14.318 21.154 ( 13.080 1.948 0.039) 13.224 21.700 ( 3.572 -7.601 1.411) 8.516 21.991 ( -1.149 -4.180 -1.223) 4.504 22.048 ( -1.621 4.096 -0.554) 4.439 22.248 ( -0.337 -0.190 4.394) 4.411 22.439 ( 1.807 1.188 -7.627) 7.927 22.847 ( -1.539 -3.805 6.834) 7.971 22.999 ( -1.125 -1.341 -2.686) 3.206 23.256 ( -2.879 -2.549 -0.249) 3.853 23.288 ( -5.514 -4.460 -0.129) 7.094 ======================= Grid point 144 (53/102) ======================= q-point: ( 0.55 0.09 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.517 ( -0.867 -3.124 6.101) 6.909 1.656 ( 2.221 -7.067 -1.671) 7.594 1.850 ( 4.120 3.650 -5.530) 7.802 2.107 ( -4.864 6.457 2.086) 8.349 2.188 ( 9.201 -2.620 -2.665) 9.931 2.311 ( 0.113 2.196 0.737) 2.319 2.373 ( 1.939 7.703 -2.128) 8.224 2.578 ( -5.774 -4.665 4.696) 8.784 2.606 ( 1.323 -2.901 -3.096) 4.444 2.775 ( -4.791 -1.041 3.472) 6.008 2.897 ( -1.134 -5.024 -2.306) 5.643 2.990 ( 5.892 -2.258 -0.168) 6.312 3.027 ( 3.373 0.503 -0.449) 3.440 3.140 ( -0.233 1.557 -0.341) 1.610 3.180 ( 0.434 7.315 -0.030) 7.328 3.265 ( -4.054 2.903 2.346) 5.511 3.286 ( 0.080 -1.058 1.862) 2.143 3.420 ( -3.610 -0.015 2.638) 4.472 3.544 ( 3.675 -3.026 -3.557) 5.943 3.589 ( 3.921 -3.822 -3.598) 6.551 3.672 ( -3.220 2.790 3.429) 5.469 3.711 ( 0.416 2.389 -2.716) 3.641 3.849 ( 0.748 -2.202 -1.292) 2.661 3.981 ( 0.521 -4.488 0.509) 4.547 4.029 ( -6.275 -0.702 0.856) 6.372 4.183 ( -2.599 1.434 0.989) 3.128 4.260 ( 3.292 -2.727 -3.890) 5.779 4.408 ( -5.758 0.493 6.091) 8.396 4.625 ( -1.427 -2.142 -0.237) 2.585 4.781 ( -2.409 0.010 -3.744) 4.452 4.812 ( -2.392 0.070 -1.268) 2.709 4.907 ( 1.467 -1.804 0.903) 2.494 5.056 ( 2.279 -0.729 0.774) 2.515 5.164 ( 3.901 -3.386 5.259) 7.372 5.238 ( -0.765 1.823 -2.602) 3.268 5.419 ( 1.586 -0.150 0.591) 1.699 5.483 ( -0.457 -4.991 -1.244) 5.164 5.548 ( -1.881 0.405 -2.675) 3.295 5.769 ( -3.046 0.878 2.174) 3.844 5.829 ( 4.712 -1.326 1.299) 5.065 5.911 ( 0.445 1.659 -0.567) 1.809 6.294 ( 0.672 0.915 0.165) 1.147 6.403 ( -4.287 -2.081 -1.364) 4.957 6.526 ( 4.272 3.547 0.767) 5.605 6.693 ( -1.504 6.513 1.102) 6.775 6.777 ( 2.211 3.534 -1.049) 4.298 6.944 ( 0.104 0.143 -1.490) 1.501 7.014 ( 0.823 3.263 0.639) 3.425 7.232 ( -6.589 -1.374 1.784) 6.964 7.335 ( -1.706 4.117 -2.009) 4.888 7.796 ( -5.188 -2.499 -0.210) 5.763 7.990 ( -3.818 -1.122 -0.085) 3.981 8.062 ( -5.568 0.082 1.528) 5.774 8.086 ( 2.430 4.943 -4.563) 7.153 8.245 ( 8.574 0.189 2.115) 8.833 8.528 ( -7.545 6.353 3.706) 10.537 8.798 ( 13.777 -4.453 -4.697) 15.221 9.021 ( -1.910 0.165 -0.852) 2.098 9.052 ( 1.667 -1.369 1.748) 2.777 9.401 ( -7.228 -3.393 7.397) 10.884 9.541 ( 5.890 2.695 0.852) 6.533 9.737 ( 4.293 4.297 -6.428) 8.844 10.241 ( 3.583 -0.192 -0.278) 3.599 10.638 ( -2.553 -1.562 0.556) 3.044 10.676 ( -4.042 -3.512 0.660) 5.395 10.815 ( 2.892 -1.052 -0.750) 3.167 10.870 ( -4.137 -1.025 -1.509) 4.521 11.096 ( -4.412 -0.780 1.100) 4.613 11.188 ( -0.455 3.148 2.618) 4.120 11.265 ( 5.261 6.236 -3.340) 8.816 11.344 ( 9.868 5.730 0.138) 11.412 11.475 ( 4.340 3.433 0.789) 5.589 11.970 ( -0.162 0.596 -1.173) 1.326 12.089 ( -2.294 1.634 1.573) 3.227 12.452 ( 2.467 1.088 -0.213) 2.705 12.474 ( 1.345 1.861 -0.035) 2.296 13.111 ( -0.448 -2.988 -0.413) 3.050 13.199 ( 3.400 -2.977 1.387) 4.727 13.252 ( -3.701 4.273 -0.586) 5.684 13.536 ( -3.010 -0.197 -0.583) 3.072 15.928 ( -2.672 -1.183 1.482) 3.277 16.012 ( -1.307 0.994 -1.360) 2.132 17.592 ( 2.368 -1.639 -0.120) 2.883 17.984 ( -6.018 -5.917 2.824) 8.899 18.123 ( 1.339 -0.069 -4.889) 5.070 18.323 ( 0.743 6.649 0.802) 6.738 18.506 ( 4.400 -0.125 3.037) 5.348 18.960 ( -0.130 6.740 -4.792) 8.271 19.156 ( 3.400 2.117 3.709) 5.459 19.377 ( 1.579 3.310 -0.433) 3.693 19.574 ( -1.231 0.050 -0.115) 1.238 20.078 ( -11.604 -6.078 0.061) 13.100 21.189 ( 11.634 4.513 0.032) 12.479 21.799 ( -2.002 -0.529 0.739) 2.198 21.967 ( -0.241 0.308 -0.443) 0.591 22.062 ( -1.405 -3.753 -0.966) 4.122 22.243 ( 0.132 1.220 3.249) 3.473 22.410 ( 0.741 1.724 -4.614) 4.981 22.919 ( 0.361 -3.161 2.371) 3.967 22.993 ( -1.280 0.570 0.632) 1.537 23.281 ( -0.394 -1.948 -0.788) 2.138 23.331 ( -1.718 -3.377 -0.284) 3.799 ======================= Grid point 145 (54/102) ======================= q-point: (-0.36 0.09 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.560 ( -4.743 -0.676 8.627) 9.868 1.664 ( 1.749 13.881 -1.469) 14.067 1.747 ( -0.840 2.605 -5.500) 6.143 1.889 ( -2.907 9.293 -1.904) 9.922 2.179 ( -3.379 6.685 2.151) 7.793 2.264 ( -0.958 4.154 -5.853) 7.240 2.312 ( 3.559 -0.285 1.967) 4.076 2.594 ( -6.894 0.859 1.268) 7.062 2.655 ( 1.402 -2.096 -3.110) 4.003 2.761 ( -7.929 1.297 3.020) 8.583 2.862 ( -0.559 7.553 5.351) 9.273 2.978 ( 0.320 3.973 2.193) 4.550 3.030 ( 6.393 -3.435 -5.194) 8.925 3.124 ( 1.788 0.909 -3.553) 4.080 3.189 ( -0.972 -4.153 0.353) 4.280 3.274 ( 1.449 -2.522 -0.098) 2.910 3.308 ( -1.656 -2.479 3.144) 4.333 3.408 ( -2.272 0.816 1.090) 2.649 3.535 ( -0.341 5.778 0.470) 5.807 3.594 ( 2.272 0.250 -2.854) 3.656 3.692 ( -0.382 -2.836 1.612) 3.285 3.696 ( 4.206 -1.639 -2.330) 5.080 3.907 ( -0.982 -1.440 1.147) 2.087 3.984 ( 2.193 0.535 0.250) 2.271 4.078 ( -2.439 -4.115 -1.887) 5.142 4.120 ( -4.411 1.267 1.609) 4.863 4.315 ( 3.200 -1.558 -5.612) 6.645 4.417 ( -3.628 -3.712 3.724) 6.388 4.625 ( -0.727 1.698 4.292) 4.673 4.755 ( 0.011 0.604 -3.404) 3.457 4.803 ( -2.560 -1.503 -0.146) 2.972 4.938 ( 0.650 -0.057 2.270) 2.361 5.124 ( 4.845 -2.914 -1.319) 5.806 5.194 ( -1.053 1.135 -1.102) 1.901 5.258 ( 6.647 -1.485 2.823) 7.373 5.413 ( 3.572 1.823 -0.035) 4.011 5.506 ( -1.114 0.511 -1.671) 2.072 5.600 ( -0.142 -4.969 -3.008) 5.810 5.700 ( -3.382 3.500 2.004) 5.264 5.830 ( -2.613 1.887 -2.709) 4.211 5.955 ( 5.210 -2.533 5.617) 8.069 6.261 ( -2.339 2.552 0.863) 3.568 6.360 ( -2.653 3.066 -4.051) 5.732 6.438 ( -4.819 5.680 4.024) 8.466 6.554 ( -1.098 4.836 -5.549) 7.442 6.695 ( -7.782 1.896 2.705) 8.454 6.946 ( -3.270 0.934 2.862) 4.444 7.018 ( 3.474 -1.813 -2.516) 4.657 7.224 ( -6.067 2.956 -1.247) 6.863 7.244 ( -5.472 -3.575 0.534) 6.558 7.808 ( -5.044 -2.756 0.583) 5.778 7.978 ( -3.464 1.386 -3.530) 5.136 8.030 ( -3.782 -3.108 2.219) 5.375 8.062 ( 4.861 0.294 -4.218) 6.442 8.327 ( 1.834 -2.169 7.911) 8.405 8.437 ( 1.150 -0.066 -3.124) 3.329 8.952 ( 5.793 -3.125 1.704) 6.800 9.042 ( 5.064 -1.768 -4.929) 7.284 9.125 ( 6.483 -3.303 3.195) 7.947 9.427 ( -6.809 -3.110 9.399) 12.016 9.541 ( 4.710 1.606 -1.527) 5.205 9.678 ( 2.510 2.643 -7.896) 8.696 10.267 ( 4.537 1.257 0.302) 4.717 10.617 ( -3.414 4.304 2.431) 6.008 10.659 ( -6.004 -1.401 -1.036) 6.252 10.769 ( -0.968 3.908 -3.693) 5.463 10.893 ( -1.607 -2.815 2.466) 4.073 11.040 ( -3.248 3.635 -0.260) 4.882 11.169 ( -3.257 -2.561 1.409) 4.376 11.230 ( 2.395 2.036 -1.921) 3.684 11.360 ( 7.596 0.414 0.968) 7.669 11.473 ( 4.517 -0.096 -0.149) 4.521 11.991 ( 1.580 -2.564 -1.120) 3.213 12.062 ( -3.596 -0.664 1.578) 3.983 12.435 ( 0.249 1.859 0.102) 1.878 12.450 ( 0.546 1.644 -0.399) 1.778 13.099 ( -1.048 3.674 1.200) 4.004 13.132 ( -1.128 3.039 -1.948) 3.781 13.350 ( 2.603 -7.572 2.202) 8.304 13.571 ( -0.537 -4.983 -1.592) 5.259 15.937 ( -3.631 -1.750 2.856) 4.940 15.997 ( -0.081 -0.311 -2.725) 2.744 17.637 ( 5.435 -0.384 -0.121) 5.450 18.055 ( -10.459 -7.821 1.048) 13.102 18.100 ( 3.708 3.582 -2.086) 5.561 18.205 ( 1.332 8.173 0.791) 8.318 18.575 ( 5.019 -3.013 1.509) 6.045 18.879 ( -3.922 -1.440 -1.389) 4.403 19.156 ( 2.289 1.066 -0.159) 2.530 19.342 ( -2.065 -0.250 0.397) 2.118 19.648 ( 5.122 -5.879 0.055) 7.797 20.111 ( -9.802 -6.455 -0.093) 11.737 21.166 ( 10.625 7.202 0.127) 12.837 21.691 ( -7.796 6.515 0.008) 10.160 22.027 ( 1.964 -3.737 -0.242) 4.228 22.091 ( -0.731 0.032 -0.194) 0.757 22.235 ( -1.207 0.072 4.260) 4.429 22.375 ( 1.617 1.400 -5.864) 6.242 22.934 ( -2.334 1.807 5.021) 5.824 23.000 ( 1.993 -1.621 -2.527) 3.603 23.314 ( 0.493 -1.366 1.521) 2.103 23.383 ( 2.168 -2.549 -2.132) 3.968 ======================= Grid point 146 (55/102) ======================= q-point: (-0.27 0.09 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.332 ( -3.580 19.220 1.845) 19.637 1.410 ( -4.277 15.052 1.124) 15.688 1.613 ( -3.551 9.621 1.547) 10.371 1.804 ( -3.072 -0.053 -1.367) 3.362 2.032 ( -2.537 8.133 -0.139) 8.521 2.204 ( 0.744 2.924 -6.946) 7.573 2.281 ( -1.600 3.628 1.165) 4.133 2.395 ( -8.832 9.206 0.433) 12.765 2.619 ( -3.238 8.106 8.491) 12.177 2.690 ( 1.180 2.782 -3.994) 5.009 2.806 ( -2.733 1.134 2.025) 3.585 2.944 ( -2.134 1.940 -1.702) 3.349 3.039 ( 3.473 5.408 -0.697) 6.464 3.109 ( -2.942 0.356 -2.707) 4.014 3.235 ( 2.038 -1.073 0.375) 2.333 3.298 ( -0.694 -1.403 0.109) 1.569 3.369 ( 0.086 -2.869 -0.832) 2.989 3.376 ( -0.674 -0.337 0.734) 1.052 3.499 ( 5.176 -0.253 0.165) 5.184 3.607 ( 2.263 -0.063 -2.319) 3.241 3.738 ( 1.439 -1.281 0.215) 1.938 3.774 ( 1.133 -4.668 -1.110) 4.930 3.916 ( 2.230 0.192 2.343) 3.240 3.993 ( 2.030 1.033 3.539) 4.208 4.080 ( -2.614 -1.425 0.660) 3.050 4.144 ( -2.326 -4.469 0.786) 5.099 4.358 ( 3.618 -2.041 -5.914) 7.227 4.472 ( -6.285 -5.341 0.122) 8.249 4.588 ( 0.138 2.652 5.748) 6.332 4.756 ( 4.258 0.187 -3.874) 5.760 4.815 ( -2.225 -1.427 -0.772) 2.753 4.909 ( -2.275 3.212 1.923) 4.381 5.191 ( 1.320 -1.759 1.081) 2.451 5.201 ( 6.897 0.234 -1.420) 7.046 5.323 ( 5.988 0.071 0.231) 5.992 5.418 ( 0.122 -1.440 -0.819) 1.661 5.499 ( 4.804 1.880 -3.477) 6.221 5.588 ( -6.871 5.492 2.997) 9.293 5.639 ( -0.904 -1.556 -1.040) 2.078 5.784 ( -5.428 -0.608 -1.993) 5.814 6.018 ( 0.874 0.860 6.349) 6.466 6.178 ( -3.530 3.054 0.757) 4.729 6.280 ( -1.069 3.416 0.021) 3.579 6.368 ( -0.362 0.126 2.810) 2.836 6.418 ( -1.553 6.085 -5.289) 8.210 6.700 ( -9.612 -7.830 -2.628) 12.673 6.886 ( -6.440 1.924 5.653) 8.782 7.001 ( 0.955 4.722 -6.421) 8.027 7.201 ( -5.893 -5.145 2.606) 8.246 7.277 ( -3.345 -3.597 -1.149) 5.045 7.816 ( -5.934 -2.041 3.208) 7.048 7.939 ( -0.993 -0.044 -5.413) 5.503 8.059 ( 2.547 -1.162 -1.106) 3.010 8.103 ( -0.337 -1.674 -0.959) 1.958 8.389 ( -2.949 -4.753 9.714) 11.209 8.506 ( 6.255 -3.835 -6.732) 9.957 9.021 ( 0.489 -2.075 4.424) 4.911 9.093 ( 4.690 -0.231 -2.755) 5.445 9.264 ( 8.439 -4.142 3.632) 10.078 9.441 ( -6.052 -1.130 8.076) 10.155 9.542 ( 2.419 0.685 -1.594) 2.977 9.673 ( 2.506 -2.343 -10.525) 11.070 10.250 ( 3.680 4.150 1.660) 5.789 10.461 ( -5.722 7.555 -0.310) 9.482 10.649 ( -2.938 -0.519 1.373) 3.284 10.717 ( 0.498 0.539 -3.889) 3.957 10.916 ( 0.134 0.701 1.079) 1.294 10.981 ( -3.694 -1.290 1.747) 4.285 11.194 ( -3.813 -1.198 1.555) 4.288 11.211 ( -0.954 -1.188 -1.657) 2.251 11.421 ( 5.477 -1.082 0.242) 5.588 11.525 ( 2.179 -1.942 -0.341) 2.939 12.067 ( -2.055 -2.812 0.804) 3.574 12.076 ( 0.184 -5.491 -1.026) 5.589 12.394 ( -1.385 2.335 1.545) 3.124 12.422 ( 0.692 1.809 -1.377) 2.376 13.031 ( -0.718 2.870 1.686) 3.405 13.075 ( 0.293 2.563 -2.213) 3.399 13.519 ( 1.677 -8.586 3.295) 9.348 13.673 ( 0.979 -6.359 -2.862) 7.041 15.945 ( -5.024 -1.904 4.575) 7.056 16.008 ( 1.060 -1.290 -4.412) 4.717 17.689 ( 9.268 0.829 0.328) 9.311 18.003 ( 2.109 7.962 -2.963) 8.753 18.052 ( 0.130 9.065 1.157) 9.139 18.125 ( -13.841 -8.073 1.938) 16.140 18.721 ( 8.932 -8.041 -1.120) 12.070 18.951 ( -6.739 -10.031 1.980) 12.246 19.155 ( 2.637 0.430 -1.275) 2.961 19.361 ( -4.730 -4.430 -0.500) 6.500 19.836 ( 8.859 -8.856 0.541) 12.538 20.159 ( -8.194 -6.466 -0.477) 10.449 21.093 ( 10.579 9.715 0.264) 14.365 21.480 ( -11.270 9.162 -0.087) 14.525 22.048 ( 1.076 4.602 -0.359) 4.740 22.067 ( -0.588 1.169 0.792) 1.530 22.242 ( -2.782 -2.145 5.931) 6.893 22.379 ( 3.970 -1.138 -9.276) 10.154 22.888 ( -2.916 2.201 8.453) 9.209 23.032 ( 2.972 -0.681 -5.806) 6.558 23.337 ( 0.641 0.041 4.150) 4.200 23.444 ( 4.580 -2.109 -4.025) 6.452 ======================= Grid point 147 (56/102) ======================= q-point: (-0.18 0.09 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.003 ( -0.263 14.866 -1.693) 14.964 1.060 ( -5.999 17.641 0.052) 18.633 1.380 ( 2.402 15.962 1.720) 16.233 1.677 ( -11.015 8.468 -9.488) 16.825 1.880 ( -2.794 9.959 8.742) 13.543 2.035 ( -2.477 13.995 -1.850) 14.332 2.121 ( -0.017 8.687 7.673) 11.591 2.256 ( -8.662 11.345 4.787) 15.055 2.525 ( 3.145 -6.041 -2.418) 7.227 2.611 ( 2.214 4.152 -4.974) 6.847 2.756 ( -0.423 4.528 -3.292) 5.614 2.817 ( -2.347 8.903 -5.513) 10.732 2.993 ( -5.689 2.427 4.339) 7.556 3.010 ( 1.502 3.577 -0.313) 3.893 3.322 ( 1.879 -2.878 -1.055) 3.595 3.339 ( 0.762 -1.914 -0.185) 2.068 3.367 ( 1.953 0.379 1.532) 2.511 3.401 ( -1.002 -0.940 1.015) 1.708 3.540 ( -1.958 -1.918 3.054) 4.104 3.647 ( 3.643 -3.160 -6.818) 8.351 3.770 ( 1.586 -0.730 0.422) 1.796 3.832 ( -0.643 -2.031 -2.763) 3.489 3.962 ( 6.593 -1.497 1.145) 6.857 4.013 ( -1.401 -1.670 3.139) 3.822 4.102 ( 4.685 -0.413 1.817) 5.042 4.243 ( -5.919 -7.692 1.869) 9.884 4.387 ( 5.639 1.616 -2.207) 6.267 4.511 ( -9.966 -6.540 0.330) 11.925 4.596 ( 2.477 -1.581 4.718) 5.558 4.762 ( -1.834 1.372 0.685) 2.390 4.809 ( 0.092 0.605 -2.741) 2.808 4.856 ( 1.391 -0.491 -4.396) 4.636 5.210 ( 9.315 4.065 -1.470) 10.269 5.263 ( 2.878 -2.722 3.159) 5.067 5.341 ( -11.881 5.798 4.436) 13.944 5.374 ( 5.976 -1.129 -4.406) 7.510 5.492 ( 3.176 -2.055 -1.891) 4.230 5.535 ( -2.604 -0.994 -1.691) 3.260 5.674 ( 0.429 -2.202 0.806) 2.384 5.730 ( -2.266 3.213 -0.180) 3.936 5.977 ( -1.592 3.161 3.570) 5.027 6.105 ( -2.461 3.141 -1.013) 4.117 6.227 ( -0.008 2.621 2.261) 3.462 6.304 ( -6.208 0.930 -0.611) 6.307 6.457 ( 10.174 -2.809 0.481) 10.566 6.750 ( -10.965 -5.714 -6.028) 13.756 6.828 ( -7.021 0.010 7.187) 10.047 6.931 ( 2.643 1.284 -5.790) 6.493 7.249 ( -6.799 -3.713 4.168) 8.797 7.320 ( 0.391 -2.744 -4.394) 5.195 7.796 ( -5.062 0.826 4.636) 6.914 7.930 ( 1.075 0.211 -7.670) 7.748 8.091 ( -1.129 -1.096 2.851) 3.257 8.130 ( 2.371 -2.989 -2.905) 4.795 8.497 ( -3.759 -7.109 8.345) 11.589 8.618 ( 5.218 -5.783 -5.637) 9.615 9.049 ( -0.310 0.142 3.255) 3.272 9.097 ( 1.760 2.377 0.029) 2.958 9.383 ( 0.401 -1.007 7.106) 7.189 9.429 ( 0.576 -2.184 4.536) 5.068 9.545 ( -1.167 -0.175 -1.747) 2.108 9.718 ( 0.271 -2.606 -8.371) 8.771 10.224 ( 4.613 0.625 0.016) 4.656 10.313 ( -5.307 3.088 -0.622) 6.172 10.642 ( -0.220 0.144 1.482) 1.505 10.713 ( -0.046 -0.006 -3.309) 3.310 10.926 ( 5.925 -0.018 0.040) 5.926 11.008 ( -5.772 -3.879 2.430) 7.366 11.180 ( -3.102 -0.262 2.421) 3.944 11.230 ( -1.306 -1.706 -1.923) 2.884 11.461 ( 3.471 0.721 0.477) 3.577 11.551 ( -1.921 -0.921 -0.822) 2.284 12.117 ( -0.726 -4.267 0.916) 4.424 12.191 ( -1.077 -7.030 -2.128) 7.424 12.349 ( -0.990 1.792 2.153) 2.971 12.390 ( 0.553 1.942 -1.337) 2.422 12.996 ( -0.544 1.014 1.999) 2.307 13.040 ( 1.004 1.427 -1.986) 2.644 13.683 ( 0.152 -7.883 3.818) 8.760 13.791 ( 1.919 -6.240 -3.914) 7.612 15.952 ( -6.850 -2.465 6.168) 9.542 16.038 ( 2.882 -1.894 -5.673) 6.639 17.718 ( 8.093 5.455 2.998) 10.210 17.850 ( -0.229 9.077 -0.346) 9.087 17.928 ( 6.958 5.092 -1.215) 8.708 18.142 ( -18.688 -6.586 -2.154) 19.931 18.968 ( 9.086 -11.218 -0.470) 14.443 19.109 ( -8.462 -12.252 -0.548) 14.900 19.204 ( 5.734 -3.771 3.839) 7.864 19.419 ( -5.756 -6.891 -3.182) 9.526 20.076 ( 8.243 -10.052 1.218) 13.057 20.219 ( -4.869 -6.132 -1.203) 7.922 20.974 ( 10.484 12.847 0.879) 16.605 21.197 ( -13.979 11.970 -0.567) 18.413 21.952 ( 1.799 6.987 0.640) 7.244 21.993 ( -2.483 4.634 0.981) 5.348 22.296 ( -1.403 -3.656 3.462) 5.227 22.409 ( 3.475 -0.724 -7.932) 8.690 22.859 ( -2.394 0.909 9.256) 9.604 23.041 ( 2.698 0.584 -6.996) 7.521 23.334 ( 0.648 2.213 6.040) 6.465 23.497 ( 4.313 -0.972 -6.421) 7.796 ======================= Grid point 148 (57/102) ======================= q-point: (-0.09 0.09 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.689 ( -2.623 16.614 4.384) 17.381 0.882 ( 5.367 2.738 -11.171) 12.692 1.102 ( 6.703 19.367 7.130) 21.699 1.379 ( -7.294 12.751 -15.174) 21.120 1.558 ( -5.697 28.041 10.253) 30.396 1.679 ( 2.543 16.642 2.140) 16.970 2.047 ( 5.192 5.955 7.484) 10.882 2.083 ( -6.693 1.305 3.354) 7.599 2.588 ( -4.750 10.495 -2.303) 11.748 2.596 ( 0.780 -1.919 -0.994) 2.298 2.640 ( 0.690 6.143 -4.334) 7.550 2.739 ( 8.330 -9.258 -7.663) 14.623 2.919 ( -3.636 0.655 3.973) 5.426 2.982 ( 1.899 2.841 -0.332) 3.433 3.311 ( -7.678 -0.296 2.980) 8.241 3.340 ( 1.983 2.253 2.236) 3.743 3.386 ( -0.657 -0.952 0.785) 1.398 3.442 ( 4.714 -0.765 -3.143) 5.717 3.579 ( -2.294 -2.830 4.309) 5.642 3.704 ( -1.698 -2.435 -5.041) 5.850 3.773 ( 0.544 2.180 1.357) 2.625 3.848 ( 1.431 -1.327 -3.481) 3.990 3.996 ( -3.047 0.687 3.362) 4.589 4.080 ( 6.698 -3.685 -3.131) 8.261 4.165 ( 4.021 2.478 0.308) 4.733 4.218 ( -5.687 -2.020 -4.018) 7.251 4.492 ( 5.197 -6.382 6.613) 10.558 4.567 ( -8.872 -7.724 0.969) 11.803 4.675 ( -0.616 -3.346 3.421) 4.825 4.720 ( -1.922 -0.298 2.914) 3.503 4.800 ( 1.204 0.053 -3.493) 3.695 4.905 ( 5.853 -2.121 -8.409) 10.463 5.147 ( -10.355 4.184 3.387) 11.670 5.216 ( 7.144 2.650 -3.488) 8.380 5.333 ( 1.106 -1.778 6.081) 6.431 5.474 ( -1.097 -5.141 -0.034) 5.257 5.497 ( -7.889 0.031 -0.670) 7.917 5.540 ( 1.711 -0.705 -1.169) 2.189 5.660 ( 4.641 4.066 -1.473) 6.343 5.678 ( 1.023 3.195 -1.957) 3.884 5.945 ( 3.544 1.071 4.177) 5.582 6.037 ( -2.294 1.807 -3.480) 4.543 6.188 ( -1.805 2.338 3.970) 4.949 6.264 ( 1.001 0.403 -2.821) 3.021 6.595 ( 8.758 -3.054 3.605) 9.951 6.715 ( -11.422 -2.441 -3.935) 12.325 6.837 ( 3.001 -1.953 2.948) 4.638 6.949 ( 2.115 -0.424 -3.649) 4.239 7.254 ( -2.870 -0.906 1.404) 3.321 7.324 ( 0.182 2.481 -5.572) 6.102 7.739 ( -2.458 3.131 5.231) 6.573 7.897 ( 2.837 2.508 -8.229) 9.059 8.157 ( -1.597 -7.091 2.669) 7.743 8.227 ( 3.673 -6.063 -1.528) 7.252 8.592 ( -7.929 -5.546 9.722) 13.717 8.767 ( 5.089 -7.236 -5.764) 10.558 9.018 ( 1.803 4.678 2.606) 5.650 9.057 ( -0.909 0.935 -0.063) 1.305 9.345 ( -4.115 3.103 7.984) 9.503 9.506 ( 3.582 2.107 -7.081) 8.210 9.546 ( -6.657 -6.586 13.069) 16.077 9.737 ( -1.860 -3.055 -1.625) 3.928 10.268 ( -2.272 -3.215 1.385) 4.174 10.355 ( 5.348 -9.315 -5.801) 12.207 10.655 ( 0.751 -0.919 1.206) 1.692 10.704 ( 1.121 0.045 -3.728) 3.893 10.967 ( 1.769 0.405 3.306) 3.771 11.008 ( -5.881 0.171 -0.970) 5.963 11.174 ( -1.215 -0.059 5.217) 5.357 11.260 ( 2.768 -1.976 -2.159) 4.028 11.458 ( 5.451 2.663 1.099) 6.166 11.514 ( -6.033 2.106 -3.706) 7.387 12.223 ( 5.284 -5.643 2.135) 8.020 12.269 ( -3.905 -4.169 -1.853) 6.005 12.333 ( -1.470 0.311 1.466) 2.099 12.371 ( 1.609 -0.816 -1.907) 2.625 12.990 ( -0.922 -0.234 1.827) 2.059 13.025 ( 0.617 0.753 -1.191) 1.539 13.810 ( -0.802 -5.553 3.033) 6.378 13.896 ( 1.561 -4.620 -4.387) 6.560 15.956 ( -10.351 -3.322 8.017) 13.507 16.113 ( 8.263 -4.176 -5.438) 10.737 17.624 ( 2.299 8.199 4.686) 9.719 17.690 ( -1.019 7.844 -0.325) 7.917 17.948 ( -4.014 1.073 2.043) 4.630 18.087 ( 1.192 -0.456 -9.745) 9.828 19.205 ( 1.792 -9.302 3.158) 9.986 19.249 ( 0.465 -9.289 -0.868) 9.341 19.404 ( 1.482 -12.242 4.018) 12.969 19.521 ( -1.974 -9.411 -5.424) 11.040 20.262 ( -1.363 -5.861 2.395) 6.477 20.326 ( 4.137 -6.237 -3.238) 8.154 20.768 ( 0.619 16.624 4.736) 17.297 20.876 ( -4.184 13.632 -4.638) 14.995 21.852 ( 2.328 5.493 3.134) 6.738 21.903 ( -1.546 3.241 -0.986) 3.724 22.347 ( -1.533 -2.456 1.819) 3.419 22.421 ( 2.642 0.213 -4.728) 5.420 22.857 ( -1.897 -0.154 7.768) 7.997 23.021 ( 1.065 1.483 -6.500) 6.752 23.285 ( -0.124 5.319 6.843) 8.668 23.483 ( -0.478 3.665 -10.807) 11.422 ======================= Grid point 151 (58/102) ======================= q-point: ( 0.18 0.18 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 102 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.862 ( 9.219 -0.000 16.679) 19.057 0.910 ( 16.221 -0.000 10.595) 19.375 1.049 ( 18.905 -0.000 -9.640) 21.221 1.184 ( 20.188 -0.000 -10.186) 22.612 1.616 ( 36.936 -0.000 7.914) 37.774 1.846 ( 23.256 -0.000 -11.165) 25.797 2.066 ( 13.427 -0.000 -12.254) 18.178 2.299 ( 7.776 -0.000 5.113) 9.306 2.469 ( 9.589 -0.000 1.571) 9.717 2.598 ( 4.109 -0.000 2.933) 5.049 2.713 ( -13.429 0.000 6.447) 14.896 2.855 ( -11.585 0.000 -0.280) 11.589 2.885 ( 2.638 -0.000 2.373) 3.548 2.985 ( 5.856 -0.000 -2.110) 6.225 3.216 ( -4.848 0.000 -4.194) 6.410 3.340 ( -6.579 0.000 0.783) 6.626 3.378 ( 9.721 -0.000 0.371) 9.728 3.496 ( 1.121 -0.000 -6.329) 6.427 3.599 ( -0.535 0.000 6.828) 6.848 3.608 ( 2.998 -0.000 -3.618) 4.699 3.710 ( -0.388 0.000 2.700) 2.728 3.785 ( -5.426 0.000 -0.600) 5.459 3.954 ( -0.038 0.000 -4.378) 4.378 3.954 ( 1.615 -0.000 2.238) 2.760 4.290 ( 0.206 -0.000 3.129) 3.136 4.451 ( -10.272 0.000 1.763) 10.422 4.516 ( -5.858 0.000 3.006) 6.584 4.550 ( -4.847 0.000 -2.870) 5.633 4.687 ( -3.805 0.000 -5.518) 6.703 4.798 ( -4.001 0.000 0.007) 4.001 4.816 ( 3.005 -0.000 0.161) 3.010 4.952 ( 5.906 -0.000 1.701) 6.146 5.080 ( -0.805 0.000 3.253) 3.351 5.090 ( -10.392 0.000 -2.827) 10.769 5.175 ( 2.708 -0.000 -4.177) 4.978 5.287 ( 1.674 -0.000 3.015) 3.449 5.305 ( -7.961 0.000 2.486) 8.340 5.340 ( -11.326 0.000 -1.125) 11.381 5.640 ( -9.508 0.000 8.485) 12.744 5.862 ( 3.858 -0.000 -10.399) 11.092 5.900 ( 5.138 -0.000 -6.363) 8.178 6.028 ( -0.567 0.000 8.033) 8.053 6.344 ( -6.646 0.000 5.124) 8.392 6.418 ( -0.651 0.000 -6.424) 6.457 6.718 ( 2.379 -0.000 -1.855) 3.017 6.730 ( 11.557 -0.000 4.181) 12.290 7.005 ( 12.010 -0.000 -5.774) 13.326 7.131 ( 7.105 -0.000 -2.722) 7.608 7.324 ( 4.782 -0.000 10.559) 11.592 7.632 ( 5.942 -0.000 -4.382) 7.383 7.864 ( 15.636 -0.000 -5.787) 16.672 7.952 ( 3.381 -0.000 -2.762) 4.366 8.223 ( -9.673 0.000 4.115) 10.512 8.547 ( 3.081 -0.000 -4.251) 5.250 8.606 ( -2.666 0.000 -5.877) 6.454 8.838 ( -14.031 0.000 9.697) 17.056 8.924 ( -1.033 0.000 -3.222) 3.383 9.071 ( 2.642 -0.000 -4.627) 5.328 9.414 ( -7.553 0.000 21.136) 22.445 9.602 ( 21.808 -0.000 -17.343) 27.863 9.661 ( 12.356 -0.000 -9.206) 15.408 9.969 ( -0.696 0.000 11.437) 11.459 10.373 ( -3.945 0.000 -6.957) 7.997 10.472 ( -16.609 0.000 2.608) 16.813 10.501 ( -1.996 0.000 -0.010) 1.996 10.636 ( -4.377 0.000 4.680) 6.408 10.959 ( 3.254 -0.000 3.271) 4.614 11.013 ( 5.347 -0.000 -0.021) 5.347 11.047 ( 6.113 -0.000 1.147) 6.220 11.403 ( 6.293 -0.000 2.635) 6.822 11.554 ( 10.056 -0.000 4.175) 10.888 11.777 ( -3.149 0.000 0.972) 3.295 12.174 ( -7.216 0.000 1.548) 7.380 12.179 ( -4.215 0.000 -2.964) 5.153 12.786 ( 14.058 -0.000 4.970) 14.911 12.836 ( 2.248 -0.000 -3.809) 4.423 13.008 ( 8.478 -0.000 2.709) 8.900 13.138 ( 9.920 -0.000 -5.072) 11.142 13.839 ( -3.677 0.000 -0.533) 3.716 13.839 ( -3.823 0.000 0.027) 3.823 15.937 ( 0.945 -0.000 0.432) 1.039 16.587 ( -17.644 0.000 11.776) 21.213 17.483 ( 11.431 -0.000 4.096) 12.143 17.554 ( 6.146 -0.000 -3.128) 6.896 18.119 ( 12.981 -0.000 3.286) 13.390 18.234 ( 10.307 -0.000 -6.995) 12.456 19.119 ( -12.873 0.000 -3.746) 13.407 19.161 ( -16.993 0.000 1.699) 17.078 19.786 ( 2.645 -0.000 -1.001) 2.828 20.060 ( -2.831 0.000 2.382) 3.700 20.387 ( 1.463 -0.000 7.205) 7.352 20.446 ( 19.955 -0.000 -19.289) 27.754 20.714 ( 11.393 -0.000 5.883) 12.822 20.825 ( 18.312 -0.000 -5.537) 19.131 21.911 ( 0.960 -0.000 1.862) 2.095 21.961 ( 5.275 -0.000 -1.324) 5.439 22.401 ( 1.418 -0.000 1.123) 1.808 22.426 ( 1.149 -0.000 -1.593) 1.964 22.433 ( -17.816 0.000 15.275) 23.468 22.809 ( -8.915 0.000 -1.477) 9.037 22.966 ( -4.820 0.000 0.356) 4.834 22.989 ( -5.395 0.000 -1.191) 5.524 ======================= Grid point 152 (59/102) ======================= q-point: ( 0.27 0.18 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.984 ( 17.249 -3.696 5.846) 18.584 1.196 ( 17.321 -2.141 -7.300) 18.918 1.228 ( 9.220 -15.612 12.436) 21.986 1.356 ( 19.720 -3.698 -9.946) 22.394 1.909 ( 22.721 -0.625 2.533) 22.871 2.007 ( 22.897 -6.211 -1.317) 23.761 2.167 ( 13.024 1.019 -5.366) 14.123 2.376 ( 2.726 -0.134 6.055) 6.641 2.516 ( 1.638 0.499 2.014) 2.644 2.571 ( 7.729 -1.422 -5.200) 9.423 2.758 ( 0.470 -7.856 1.644) 8.040 2.811 ( -8.027 -3.829 -0.422) 8.903 2.920 ( -1.193 -0.955 2.059) 2.564 3.022 ( 6.181 1.140 -3.202) 7.053 3.167 ( -1.205 -0.861 -2.304) 2.738 3.297 ( -5.664 1.597 2.740) 6.492 3.422 ( 2.672 0.829 -1.893) 3.378 3.464 ( -0.578 2.629 1.764) 3.218 3.590 ( 2.686 -1.002 -4.597) 5.417 3.616 ( -3.505 2.071 5.051) 6.487 3.730 ( -0.448 0.480 -0.810) 1.043 3.750 ( -3.665 -1.711 -0.241) 4.052 3.908 ( -1.689 3.111 -3.307) 4.844 3.962 ( 2.726 1.866 2.176) 3.956 4.229 ( -6.073 6.058 1.481) 8.705 4.369 ( -4.935 2.064 2.599) 5.947 4.474 ( -7.745 -0.294 -0.406) 7.762 4.532 ( -2.664 0.679 -0.630) 2.821 4.614 ( -2.901 -1.280 -1.108) 3.358 4.659 ( -1.588 5.347 0.838) 5.640 4.906 ( -6.319 -0.722 -3.155) 7.100 4.951 ( 4.424 2.140 -0.484) 4.938 5.035 ( 3.053 0.898 -1.431) 3.490 5.143 ( -9.675 -4.509 2.101) 10.879 5.211 ( -2.006 -2.185 -2.475) 3.863 5.264 ( -1.162 -0.490 2.823) 3.092 5.282 ( -5.525 0.323 3.453) 6.523 5.301 ( -4.286 -6.094 -1.996) 7.713 5.580 ( -9.769 -0.537 6.061) 11.509 5.878 ( 5.213 4.139 -4.831) 8.225 5.910 ( 0.256 -4.347 -3.836) 5.803 6.097 ( 3.950 -4.497 2.554) 6.507 6.301 ( -6.862 -0.064 4.869) 8.414 6.383 ( 0.291 1.481 -4.226) 4.487 6.719 ( 6.931 1.736 -1.732) 7.352 6.836 ( 9.230 -0.806 2.443) 9.582 7.038 ( 5.893 1.911 -1.416) 6.355 7.232 ( 1.365 -5.807 -2.241) 6.372 7.378 ( 6.452 0.486 4.721) 8.009 7.674 ( 6.202 0.334 -6.569) 9.040 7.919 ( 7.161 3.036 -2.627) 8.210 7.966 ( 4.339 0.010 -1.650) 4.642 8.182 ( -5.518 -1.091 3.870) 6.827 8.491 ( -4.931 7.943 -0.472) 9.361 8.502 ( 4.366 5.500 -3.026) 7.646 8.668 ( -11.884 5.190 2.778) 13.262 8.977 ( -3.568 -2.330 -0.496) 4.290 9.088 ( 0.311 -2.671 -3.996) 4.817 9.391 ( -0.225 3.763 14.204) 14.696 9.598 ( 11.495 7.265 -3.427) 14.023 9.748 ( 11.121 0.095 -9.351) 14.531 9.906 ( -1.764 8.640 5.965) 10.646 10.306 ( -5.106 0.471 -2.301) 5.621 10.413 ( 2.566 2.352 -1.867) 3.950 10.454 ( -10.842 -2.712 -1.166) 11.236 10.659 ( -2.709 -2.270 4.298) 5.564 10.910 ( 5.910 5.895 0.326) 8.354 11.035 ( 5.599 0.097 3.451) 6.578 11.213 ( 5.552 -7.281 0.272) 9.160 11.490 ( 7.268 -2.265 -0.239) 7.617 11.602 ( 8.850 2.885 4.486) 10.333 11.735 ( -5.006 0.869 -2.576) 5.697 12.116 ( -5.735 0.602 0.369) 5.778 12.166 ( -2.755 -1.407 -1.114) 3.288 12.795 ( 6.905 6.345 -1.616) 9.516 12.840 ( 5.897 1.271 2.057) 6.374 13.004 ( 6.512 7.103 2.084) 9.859 13.112 ( 10.466 9.729 -1.599) 14.379 13.772 ( -6.123 1.388 -1.119) 6.377 13.821 ( -4.183 1.867 0.045) 4.581 15.934 ( -2.056 -0.031 0.670) 2.162 16.405 ( -16.655 6.074 4.063) 18.187 17.469 ( 9.057 5.680 0.441) 10.700 17.680 ( 7.293 -4.489 0.327) 8.570 17.928 ( 12.515 9.036 -0.816) 15.457 18.604 ( 4.550 -9.631 2.126) 10.862 18.968 ( -10.602 3.351 -1.649) 11.241 19.209 ( -17.011 -14.677 0.142) 22.468 19.713 ( 1.153 9.169 0.273) 9.245 19.880 ( -1.581 14.106 1.293) 14.253 20.149 ( 6.822 20.877 -3.139) 22.187 20.436 ( 7.728 10.889 -5.949) 14.618 20.965 ( 9.212 -10.465 6.175) 15.249 21.028 ( 17.041 -8.921 -3.961) 19.639 21.874 ( 1.886 1.738 -0.018) 2.565 21.993 ( 5.164 -0.028 1.877) 5.495 22.351 ( -1.380 3.525 -0.551) 3.825 22.437 ( -0.655 -2.190 -1.083) 2.529 22.573 ( -8.739 -13.597 5.475) 17.065 22.802 ( -6.822 -5.075 -0.061) 8.503 22.963 ( -7.454 -4.426 0.507) 8.684 23.012 ( -6.609 -7.056 -0.975) 9.717 ======================= Grid point 154 (60/102) ======================= q-point: ( 0.36 0.18 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.237 ( 19.242 -7.245 -1.140) 20.592 1.310 ( 12.829 -0.628 -5.100) 13.820 1.531 ( 13.860 -4.321 -6.242) 15.803 1.612 ( 3.306 -17.439 12.960) 21.978 2.045 ( 8.217 -4.300 0.774) 9.307 2.101 ( 1.243 7.137 3.621) 8.099 2.344 ( 10.640 -5.773 -5.525) 13.306 2.401 ( 12.401 -6.711 2.476) 14.316 2.610 ( 4.238 -0.769 1.450) 4.545 2.724 ( 10.194 -7.830 -4.179) 13.516 2.837 ( -1.902 0.889 -3.524) 4.102 2.867 ( -0.897 -4.809 -0.193) 4.895 2.946 ( 3.739 -4.413 -2.255) 6.208 3.040 ( -0.902 -1.758 0.976) 2.204 3.199 ( -5.244 1.328 2.796) 6.089 3.239 ( 4.443 -0.470 2.188) 4.975 3.357 ( -3.580 2.912 -0.488) 4.640 3.441 ( -0.293 4.395 2.289) 4.964 3.533 ( -2.782 -0.726 0.449) 2.910 3.647 ( 4.341 0.646 -3.142) 5.398 3.694 ( -2.339 0.195 -0.508) 2.402 3.775 ( 0.157 -2.131 -1.643) 2.695 3.802 ( -3.938 5.218 0.156) 6.539 3.948 ( 1.240 2.186 1.014) 2.710 4.084 ( -5.932 2.571 0.293) 6.472 4.267 ( -5.641 4.951 2.163) 7.811 4.379 ( -4.951 4.855 -0.742) 6.974 4.511 ( -1.189 0.428 0.270) 1.292 4.592 ( -5.359 -0.825 1.937) 5.758 4.705 ( 1.478 -5.039 -0.773) 5.308 4.844 ( -4.098 0.879 -5.870) 7.213 4.917 ( 1.497 3.449 -0.068) 3.761 4.987 ( -4.981 2.621 2.300) 6.081 5.122 ( -3.880 -0.271 -1.420) 4.140 5.174 ( -6.746 -0.524 0.042) 6.766 5.249 ( -3.858 -1.099 3.895) 5.591 5.365 ( 2.053 -5.532 -0.069) 5.901 5.434 ( -2.060 -9.517 -0.430) 9.747 5.561 ( -5.984 -2.761 3.695) 7.556 5.827 ( 3.272 3.102 -1.417) 4.726 5.990 ( 0.344 -3.259 -2.706) 4.250 6.211 ( 2.352 -3.231 2.107) 4.518 6.275 ( -2.924 -2.017 -0.150) 3.556 6.394 ( 5.676 -1.356 -0.080) 5.836 6.740 ( 7.313 1.678 -1.904) 7.741 6.907 ( 7.532 0.432 2.228) 7.867 7.037 ( 1.793 1.211 0.158) 2.169 7.305 ( -1.970 -3.013 0.214) 3.607 7.416 ( 5.363 1.321 -0.323) 5.533 7.612 ( 6.146 10.526 -7.272) 14.194 7.870 ( -3.096 2.816 0.147) 4.188 8.012 ( 3.617 -0.573 2.168) 4.256 8.176 ( -2.293 0.014 1.041) 2.518 8.314 ( -4.646 6.526 -1.859) 8.223 8.447 ( 6.099 5.071 -0.900) 7.983 8.529 ( -5.805 1.577 0.886) 6.080 8.948 ( -3.948 1.054 -1.823) 4.475 9.109 ( -6.453 -1.544 0.377) 6.646 9.298 ( 2.182 10.391 6.869) 12.646 9.555 ( 0.844 3.695 5.107) 6.360 9.678 ( -0.121 11.275 0.208) 11.277 9.826 ( 10.678 0.215 -7.393) 12.990 10.286 ( -1.111 0.707 0.801) 1.541 10.382 ( 0.575 -0.693 1.153) 1.463 10.486 ( -1.414 -4.935 -6.392) 8.198 10.682 ( -1.571 -1.453 3.911) 4.458 10.873 ( 5.837 3.406 -0.202) 6.761 11.071 ( 2.733 0.520 3.455) 4.436 11.365 ( 7.574 -3.877 -0.210) 8.511 11.535 ( 6.732 2.908 -1.323) 7.452 11.601 ( 3.419 4.794 0.920) 5.959 11.694 ( 2.421 0.682 -0.126) 2.519 12.068 ( -5.036 0.384 -0.249) 5.057 12.177 ( -1.419 -1.271 -0.304) 1.929 12.702 ( 12.311 11.989 -0.021) 17.184 12.847 ( 11.083 7.004 0.490) 13.120 12.952 ( -0.991 -0.539 0.596) 1.276 12.974 ( 1.526 7.644 -0.475) 7.809 13.685 ( -7.542 3.864 -0.540) 8.491 13.713 ( -4.862 4.662 -0.368) 6.746 15.917 ( -3.685 -0.404 0.779) 3.788 16.201 ( -10.881 5.034 0.350) 11.994 17.467 ( 5.749 0.892 -0.108) 5.819 17.792 ( 3.951 -3.225 0.360) 5.113 17.957 ( 11.569 -0.160 -0.356) 11.576 18.647 ( -1.162 3.696 2.723) 4.736 18.823 ( -6.988 5.148 -1.820) 8.868 19.307 ( -9.742 -2.955 -0.929) 10.223 19.549 ( -1.253 6.616 4.492) 8.094 19.646 ( 3.210 11.999 0.275) 12.424 19.839 ( -3.374 12.213 -2.858) 12.989 20.238 ( 6.100 15.066 -4.036) 16.748 21.164 ( 14.013 -2.988 0.702) 14.345 21.330 ( 7.363 -12.566 2.291) 14.743 21.881 ( 2.259 -0.724 -2.350) 3.339 22.079 ( 4.978 -3.926 2.690) 6.887 22.265 ( -2.789 3.940 -0.352) 4.840 22.459 ( 0.041 -0.896 -5.013) 5.093 22.704 ( -5.474 -5.849 6.963) 10.614 22.866 ( -2.941 -5.984 -3.027) 7.322 23.016 ( -9.731 -8.341 1.811) 12.944 23.098 ( -6.989 -7.445 -0.898) 10.250 ======================= Grid point 155 (61/102) ======================= q-point: ( 0.45 0.18 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.392 ( 10.935 -2.651 -3.468) 11.774 1.486 ( 9.092 -3.086 2.054) 9.819 1.676 ( 8.669 -6.668 -3.618) 11.520 1.943 ( -1.888 -15.240 10.549) 18.631 2.053 ( 3.318 -0.558 -1.323) 3.615 2.199 ( 6.008 -6.475 -1.794) 9.014 2.415 ( 1.347 -3.402 -1.864) 4.106 2.587 ( 4.885 2.755 0.316) 5.617 2.698 ( 8.680 -4.097 -5.495) 11.060 2.742 ( 0.181 3.200 0.457) 3.238 2.825 ( -3.185 -0.660 -0.200) 3.259 2.945 ( 0.148 2.180 4.203) 4.737 3.015 ( 5.391 -1.551 -2.356) 6.085 3.113 ( 0.977 -6.449 -2.766) 7.085 3.181 ( 1.122 -3.333 1.513) 3.829 3.251 ( -2.628 1.085 2.653) 3.889 3.337 ( 0.133 -1.284 1.895) 2.293 3.374 ( 1.614 1.670 1.360) 2.691 3.552 ( -0.390 0.505 -0.233) 0.679 3.614 ( 2.739 2.163 -3.319) 4.816 3.675 ( -5.810 1.178 -0.201) 5.932 3.714 ( -2.899 -1.185 1.699) 3.563 3.833 ( 6.127 -0.729 -3.880) 7.288 3.889 ( -1.964 2.755 -0.910) 3.504 4.090 ( -3.043 -4.646 3.317) 6.469 4.132 ( -6.886 5.419 2.148) 9.022 4.266 ( -2.149 4.132 -0.401) 4.675 4.460 ( -4.246 1.898 1.110) 4.781 4.591 ( -3.067 -0.913 -0.983) 3.347 4.711 ( -7.829 0.030 -1.579) 7.987 4.830 ( 2.583 -0.406 -6.864) 7.345 4.886 ( 0.000 0.737 4.256) 4.320 4.977 ( -0.680 -4.396 2.432) 5.070 5.079 ( -3.368 0.973 0.526) 3.545 5.174 ( -5.346 -4.659 -0.425) 7.104 5.275 ( -2.512 -2.380 0.171) 3.464 5.461 ( 3.225 -3.072 -0.749) 4.516 5.536 ( -2.356 -3.221 1.117) 4.144 5.626 ( 0.101 -5.937 1.511) 6.127 5.820 ( 2.950 0.095 0.412) 2.980 5.987 ( -1.910 2.028 -1.538) 3.182 6.248 ( -1.845 -2.868 -3.834) 5.131 6.340 ( 2.827 -2.243 7.228) 8.079 6.505 ( 8.250 -4.295 -2.426) 9.612 6.755 ( 6.508 1.775 -2.004) 7.037 6.933 ( 4.127 2.410 2.380) 5.339 7.022 ( -0.122 1.071 1.400) 1.767 7.301 ( 1.565 5.400 -5.636) 7.961 7.374 ( -0.646 6.265 2.336) 6.717 7.434 ( 1.460 7.216 -1.710) 7.558 7.789 ( -3.985 2.628 0.285) 4.782 8.010 ( -3.429 1.673 4.506) 5.905 8.141 ( -7.404 3.222 0.610) 8.098 8.172 ( 0.299 2.964 -7.941) 8.482 8.405 ( 2.788 2.694 1.366) 4.111 8.564 ( 6.973 -2.692 -1.540) 7.632 8.877 ( -2.494 4.220 -0.402) 4.918 9.054 ( -9.228 1.022 3.926) 10.080 9.130 ( 0.427 8.687 3.155) 9.252 9.406 ( -3.989 7.160 -1.547) 8.340 9.624 ( 5.030 1.495 6.418) 8.290 9.875 ( 9.994 2.031 -7.542) 12.684 10.258 ( 0.734 1.500 1.571) 2.293 10.455 ( -2.105 -5.988 0.634) 6.379 10.557 ( 3.097 -3.739 -5.109) 7.049 10.711 ( -1.693 -2.382 2.952) 4.154 10.864 ( 4.337 1.937 -0.663) 4.796 11.073 ( -1.227 0.341 2.019) 2.388 11.413 ( 5.363 5.433 -1.434) 7.767 11.502 ( 5.971 6.431 0.597) 8.796 11.547 ( 3.593 0.891 2.273) 4.344 11.688 ( 9.267 6.217 -1.685) 11.286 12.024 ( -3.407 1.042 -0.683) 3.628 12.171 ( -2.306 0.828 0.394) 2.481 12.580 ( 9.124 9.445 0.069) 13.132 12.709 ( 8.867 13.500 0.053) 16.152 12.951 ( -2.470 -3.832 -0.149) 4.561 13.016 ( 0.924 -5.303 0.383) 5.396 13.516 ( -6.081 7.835 0.161) 9.919 13.612 ( -5.980 2.886 -0.913) 6.702 15.900 ( -3.659 -0.710 0.527) 3.765 16.072 ( -7.158 2.313 -0.132) 7.524 17.511 ( 4.139 -1.493 -0.154) 4.403 17.849 ( -1.803 -2.218 0.535) 2.908 18.057 ( 9.563 -1.657 -0.595) 9.724 18.524 ( -4.989 7.018 1.505) 8.741 18.696 ( 1.155 5.731 -0.832) 5.906 19.205 ( -1.597 5.746 -3.317) 6.824 19.421 ( 5.313 11.005 6.771) 13.970 19.509 ( 2.198 7.143 -1.988) 7.734 19.710 ( -13.412 -3.471 0.391) 13.860 19.998 ( -0.158 12.369 -2.931) 12.713 21.295 ( 15.155 0.554 0.238) 15.167 21.573 ( 3.089 -9.721 2.425) 10.484 21.920 ( 1.383 -2.620 -2.792) 4.070 22.118 ( -0.530 4.402 0.142) 4.436 22.226 ( -0.995 -2.475 3.615) 4.492 22.448 ( 0.436 0.523 -7.385) 7.416 22.777 ( -2.391 -4.388 8.236) 9.634 22.935 ( -0.832 -4.051 -4.223) 5.911 23.113 ( -7.593 -8.887 1.565) 11.794 23.161 ( -5.394 -5.248 -0.984) 7.590 ======================= Grid point 156 (62/102) ======================= q-point: ( 0.55 0.18 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.522 ( 4.006 1.098 0.418) 4.175 1.536 ( 3.692 -6.987 -0.162) 7.904 1.869 ( 7.323 -5.185 -2.471) 9.306 2.101 ( -0.626 -1.939 0.788) 2.184 2.154 ( 0.873 -7.634 1.890) 7.913 2.336 ( -0.684 -6.225 1.303) 6.397 2.472 ( 1.816 3.164 -0.926) 3.764 2.543 ( 4.849 1.842 -0.828) 5.252 2.599 ( -0.380 5.679 -3.378) 6.618 2.777 ( -2.204 2.227 5.387) 6.232 2.808 ( -2.274 -1.544 -3.984) 4.840 2.945 ( 2.820 -4.506 2.558) 5.899 3.084 ( 6.862 0.440 -2.082) 7.184 3.145 ( -3.209 0.227 1.399) 3.508 3.228 ( 0.039 -1.825 -2.182) 2.845 3.275 ( -0.813 -0.315 2.219) 2.384 3.335 ( 0.081 2.414 0.729) 2.523 3.409 ( -1.987 1.057 3.869) 4.476 3.523 ( 4.991 -0.966 -5.392) 7.411 3.576 ( 1.147 2.059 -2.618) 3.523 3.650 ( -2.847 -1.922 0.132) 3.438 3.767 ( -2.083 -3.713 1.414) 4.486 3.792 ( 1.531 2.625 -0.524) 3.083 3.925 ( 1.548 -3.878 0.495) 4.205 3.995 ( -6.365 3.783 0.946) 7.465 4.142 ( -3.730 -2.111 1.265) 4.469 4.237 ( 1.420 -2.221 -2.227) 3.451 4.391 ( -7.033 2.504 4.450) 8.691 4.573 ( -2.708 -1.090 -0.932) 3.064 4.674 ( -8.972 -3.504 -2.656) 9.992 4.832 ( 2.259 0.967 -1.689) 2.982 4.916 ( 4.173 -0.957 0.178) 4.285 5.055 ( 1.028 -1.379 1.194) 2.094 5.110 ( 2.628 -5.954 2.867) 7.112 5.230 ( -4.223 -2.539 -1.355) 5.110 5.288 ( -4.006 -5.044 0.069) 6.442 5.515 ( 2.849 -0.682 -2.533) 3.873 5.550 ( 2.023 1.723 0.640) 2.733 5.715 ( -3.131 -3.964 1.451) 5.256 5.870 ( 6.115 -1.090 3.632) 7.196 5.923 ( -1.506 1.929 -3.323) 4.126 6.280 ( -1.289 -3.151 -4.548) 5.681 6.382 ( 0.117 1.680 7.693) 7.875 6.599 ( 4.580 -0.113 -2.832) 5.386 6.770 ( 4.385 1.226 -1.670) 4.850 6.882 ( -1.244 5.060 2.145) 5.635 6.998 ( 2.483 4.079 1.652) 5.053 7.124 ( 3.727 9.183 -5.937) 11.553 7.228 ( -7.999 6.733 4.310) 11.309 7.378 ( -1.310 1.958 -1.406) 2.743 7.743 ( -2.215 -0.175 -0.614) 2.305 7.949 ( -5.315 1.024 0.967) 5.499 8.015 ( -8.691 1.766 1.690) 9.028 8.152 ( 2.337 1.307 -6.322) 6.866 8.366 ( 4.959 4.986 1.887) 7.281 8.596 ( -4.466 4.218 1.574) 6.342 8.836 ( 11.645 -0.581 -3.093) 12.063 8.995 ( -4.767 -0.372 1.670) 5.065 9.052 ( 0.726 1.119 2.071) 2.463 9.316 ( -6.015 -0.521 2.484) 6.529 9.645 ( 6.176 2.527 3.560) 7.563 9.855 ( 6.293 5.247 -5.863) 10.076 10.267 ( 3.898 -0.227 0.653) 3.959 10.521 ( -6.227 -4.770 -0.492) 7.859 10.642 ( 3.883 -2.682 -1.578) 4.976 10.755 ( -2.434 -3.923 1.884) 4.986 10.862 ( 2.453 1.045 -1.493) 3.056 11.050 ( -4.969 -0.054 0.614) 5.007 11.307 ( 2.001 7.847 2.317) 8.423 11.414 ( 4.418 7.084 -1.880) 8.558 11.565 ( 8.045 5.329 2.615) 9.998 11.608 ( 9.640 8.252 -2.527) 12.938 11.982 ( -1.044 1.226 -0.869) 1.829 12.113 ( -3.960 2.782 1.030) 4.948 12.516 ( 4.936 3.978 0.015) 6.339 12.567 ( 3.468 7.263 -0.015) 8.048 13.026 ( -0.454 -5.346 0.554) 5.394 13.134 ( 2.243 -6.075 0.004) 6.475 13.340 ( -3.993 7.394 0.385) 8.413 13.518 ( -5.719 2.093 -1.292) 6.226 15.892 ( -2.804 -0.950 0.837) 3.077 16.004 ( -4.464 0.575 -0.545) 4.534 17.575 ( 4.126 -2.269 -0.100) 4.710 17.861 ( -6.200 -2.847 0.709) 6.859 18.138 ( 6.865 -0.648 -1.914) 7.156 18.376 ( -5.527 4.482 1.513) 7.275 18.631 ( 6.467 5.315 1.555) 8.514 19.075 ( -1.147 7.111 -6.495) 9.699 19.304 ( 6.841 8.705 6.931) 13.062 19.446 ( 3.075 1.148 -2.092) 3.892 19.621 ( -4.821 6.876 0.751) 8.431 19.862 ( -12.662 -3.982 -0.896) 13.303 21.369 ( 14.887 3.619 0.171) 15.322 21.730 ( -0.676 -5.925 2.065) 6.310 21.974 ( -0.006 -2.622 -2.464) 3.598 22.012 ( -2.559 3.637 -1.215) 4.610 22.259 ( -0.984 -0.363 5.116) 5.222 22.426 ( 0.573 0.760 -6.223) 6.295 22.862 ( 0.074 -4.252 4.851) 6.451 22.976 ( -0.569 -1.652 -1.709) 2.444 23.208 ( -4.613 -5.274 0.812) 7.054 23.220 ( -2.104 -6.184 -1.323) 6.664 ======================= Grid point 157 (63/102) ======================= q-point: (-0.36 0.18 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.538 ( 0.596 -0.552 4.512) 4.585 1.680 ( 2.743 -6.133 -4.856) 8.290 1.893 ( 3.776 6.695 -2.436) 8.063 2.026 ( -5.779 7.046 0.111) 9.114 2.278 ( 0.075 -0.400 4.425) 4.444 2.327 ( 2.650 8.775 1.885) 9.358 2.405 ( 5.133 3.036 -5.853) 8.356 2.484 ( -7.553 -2.889 3.553) 8.833 2.613 ( 0.741 -3.040 -1.651) 3.538 2.712 ( -5.022 0.981 0.633) 5.155 2.930 ( 6.020 -7.214 -1.259) 9.480 3.044 ( -0.911 3.406 0.537) 3.567 3.070 ( 4.499 -1.679 -1.661) 5.081 3.111 ( -4.896 2.455 1.003) 5.568 3.178 ( -1.111 8.572 4.564) 9.775 3.237 ( 1.274 -2.151 -0.758) 2.612 3.297 ( 0.206 -0.085 -0.248) 0.333 3.372 ( -3.247 -1.707 -1.195) 3.858 3.560 ( -1.538 -0.459 1.160) 1.980 3.607 ( 1.965 -0.826 -4.637) 5.104 3.684 ( 3.210 -1.775 0.392) 3.689 3.725 ( 2.546 2.851 -1.180) 4.001 3.855 ( -0.146 -3.556 1.240) 3.769 3.942 ( -5.201 -2.469 0.834) 5.818 4.010 ( 3.693 -3.103 -0.976) 4.921 4.125 ( -4.720 1.135 0.848) 4.928 4.300 ( 5.046 -2.158 -5.902) 8.059 4.331 ( -8.419 -1.924 7.131) 11.199 4.588 ( -3.552 -2.468 1.313) 4.520 4.680 ( -6.698 -4.289 -1.637) 8.120 4.834 ( 4.552 1.330 -0.003) 4.742 4.951 ( 2.416 -0.207 0.127) 2.428 5.110 ( 3.953 -2.275 -1.170) 4.708 5.185 ( -3.296 0.356 -2.623) 4.227 5.254 ( 2.869 -4.772 6.867) 8.841 5.411 ( -1.748 -8.686 -1.097) 8.927 5.487 ( -3.024 2.849 -0.437) 4.178 5.541 ( 6.863 2.048 -4.889) 8.671 5.721 ( -4.990 0.323 4.142) 6.493 5.865 ( 0.586 2.459 -3.639) 4.431 5.974 ( 6.178 -2.448 4.054) 7.785 6.310 ( -6.433 2.715 0.825) 7.031 6.326 ( 3.425 -0.937 -2.745) 4.488 6.542 ( -2.536 6.856 0.056) 7.310 6.664 ( -1.879 9.661 2.489) 10.152 6.783 ( -0.956 7.834 -2.522) 8.286 6.950 ( 1.562 1.467 0.196) 2.151 7.041 ( 1.572 2.240 1.512) 3.127 7.131 ( -5.956 -1.445 1.851) 6.402 7.291 ( -2.319 5.497 -3.221) 6.779 7.752 ( -0.358 -1.593 -0.506) 1.709 7.924 ( -5.869 -1.603 -3.393) 6.966 7.960 ( -4.699 -1.426 5.918) 7.689 8.115 ( 2.688 2.616 -7.608) 8.482 8.344 ( 1.402 1.564 6.372) 6.710 8.473 ( 0.114 3.733 -2.035) 4.254 8.940 ( 1.691 -2.060 2.740) 3.823 9.027 ( 5.149 -2.943 -5.591) 8.151 9.105 ( 5.784 -4.182 2.996) 7.741 9.319 ( -7.689 -4.005 5.957) 10.518 9.635 ( 5.894 3.958 0.111) 7.101 9.771 ( 3.400 6.180 -5.441) 8.908 10.315 ( 5.807 -0.511 0.700) 5.872 10.544 ( -7.300 -3.816 -0.723) 8.269 10.662 ( -0.705 1.945 2.217) 3.032 10.802 ( -3.128 -0.761 -3.222) 4.554 10.859 ( 3.308 -0.230 0.288) 3.328 11.014 ( -6.377 -0.960 0.639) 6.480 11.195 ( -0.527 5.585 4.151) 6.978 11.322 ( 3.882 5.801 -5.602) 8.950 11.488 ( 7.915 7.355 1.942) 10.978 11.561 ( 6.069 4.587 0.225) 7.611 11.974 ( 1.473 -0.501 -1.235) 1.986 12.043 ( -4.608 1.327 1.419) 5.001 12.488 ( 2.274 2.750 -0.423) 3.594 12.492 ( 0.877 3.196 0.277) 3.325 13.110 ( 0.505 -2.502 0.334) 2.575 13.194 ( -2.947 4.410 -0.708) 5.352 13.260 ( 2.930 -4.284 2.669) 5.836 13.476 ( -3.839 -2.719 -2.530) 5.341 15.896 ( -2.210 -1.079 1.976) 3.155 15.978 ( -2.033 -0.506 -1.697) 2.696 17.651 ( 5.442 -2.270 -0.041) 5.897 17.874 ( -8.506 -4.650 0.339) 9.699 18.171 ( 5.969 1.454 -2.576) 6.662 18.297 ( -4.019 1.972 1.584) 4.749 18.605 ( 5.563 2.748 4.265) 7.529 18.915 ( -2.356 7.060 -6.490) 9.875 19.237 ( 5.011 5.027 3.407) 7.873 19.392 ( -0.451 7.073 -0.486) 7.104 19.582 ( 3.584 -5.280 0.101) 6.382 19.884 ( -13.443 -8.188 -0.015) 15.741 21.386 ( 13.775 6.426 0.290) 15.203 21.728 ( -7.618 3.588 0.244) 8.425 21.973 ( 0.623 -2.763 0.549) 2.885 22.041 ( -0.301 -3.571 -2.541) 4.393 22.256 ( -0.638 1.009 4.505) 4.661 22.397 ( 0.294 1.398 -4.753) 4.963 22.936 ( 0.413 -1.979 2.049) 2.879 22.982 ( -0.398 -0.485 0.250) 0.676 23.267 ( -1.745 -3.808 1.556) 4.468 23.314 ( 0.257 -5.338 -2.262) 5.804 ======================= Grid point 158 (64/102) ======================= q-point: (-0.27 0.18 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.545 ( -2.077 2.203 8.027) 8.579 1.664 ( -2.370 17.301 1.768) 17.552 1.740 ( 2.990 4.201 -2.791) 5.863 1.845 ( -0.886 7.248 -6.573) 9.824 2.142 ( -3.006 6.634 2.351) 7.653 2.227 ( 0.234 4.815 -3.874) 6.184 2.387 ( 4.660 4.777 -0.392) 6.685 2.488 ( -5.194 3.276 -1.696) 6.371 2.665 ( -6.580 -1.031 4.257) 7.905 2.680 ( 3.576 -2.403 -2.689) 5.079 2.883 ( -0.786 8.063 7.272) 10.886 2.967 ( -1.618 3.545 1.137) 4.059 3.092 ( 1.627 0.630 -3.048) 3.512 3.120 ( 0.009 -2.141 -3.383) 4.004 3.200 ( 3.689 -3.722 0.161) 5.243 3.261 ( -3.595 -0.661 1.453) 3.933 3.315 ( 1.953 -2.129 0.331) 2.908 3.377 ( -0.266 -0.352 -2.473) 2.512 3.540 ( -1.645 0.495 3.485) 3.886 3.623 ( 3.634 -0.001 -4.438) 5.737 3.711 ( -0.108 -1.360 1.239) 1.843 3.741 ( 3.624 -0.609 -3.188) 4.865 3.908 ( 1.003 -2.072 2.700) 3.548 3.975 ( -4.421 -4.326 3.748) 7.232 4.050 ( -2.809 1.727 0.261) 3.308 4.090 ( 3.264 -1.730 -3.739) 5.257 4.325 ( -6.041 -1.792 2.773) 6.885 4.364 ( 2.924 -2.514 -4.656) 6.046 4.604 ( -3.183 -1.348 6.155) 7.060 4.725 ( -1.616 -4.452 -3.043) 5.630 4.847 ( 7.018 2.355 -0.205) 7.405 4.949 ( -1.396 1.639 -0.479) 2.206 5.162 ( 0.957 -1.700 -0.090) 1.953 5.196 ( 1.311 -3.779 -1.545) 4.288 5.356 ( 3.841 -2.014 3.773) 5.749 5.412 ( -2.124 2.450 0.412) 3.269 5.500 ( 0.807 -1.928 -1.077) 2.351 5.568 ( -3.854 -3.318 -4.612) 6.865 5.662 ( -0.721 3.420 3.775) 5.144 5.788 ( -0.610 5.373 -5.192) 7.496 6.056 ( 3.593 -0.798 8.264) 9.046 6.221 ( -2.729 2.116 -0.483) 3.486 6.346 ( 1.486 2.961 -1.429) 3.608 6.397 ( -3.219 4.166 2.274) 5.735 6.531 ( 2.867 5.145 -6.101) 8.480 6.576 ( -7.529 6.652 0.310) 10.052 6.924 ( -2.028 3.665 5.928) 7.259 7.059 ( 3.484 0.030 -2.616) 4.357 7.133 ( -4.884 -0.258 0.097) 4.892 7.188 ( -1.777 -0.484 -1.916) 2.657 7.772 ( -1.047 -0.737 2.514) 2.821 7.904 ( -2.246 -1.358 -5.423) 6.024 8.004 ( -2.159 -3.992 3.093) 5.492 8.100 ( 3.411 -0.039 -6.017) 6.917 8.333 ( -4.776 -0.717 10.945) 11.963 8.488 ( 6.668 -1.779 -7.486) 10.182 8.986 ( -1.247 -2.619 4.698) 5.521 9.090 ( 2.711 -2.292 -4.470) 5.708 9.253 ( 5.760 -4.583 5.067) 8.937 9.359 ( -6.139 -4.470 5.878) 9.603 9.600 ( 3.998 3.577 -2.438) 5.893 9.684 ( 2.468 3.678 -7.482) 8.695 10.356 ( 5.849 1.924 2.405) 6.610 10.518 ( -8.428 2.096 -1.430) 8.802 10.611 ( -1.108 1.095 3.517) 3.847 10.737 ( -0.657 2.779 -5.268) 5.992 10.901 ( 1.308 -0.671 2.582) 2.971 10.988 ( -3.297 0.069 -1.030) 3.455 11.144 ( -1.416 0.112 3.396) 3.681 11.239 ( 1.035 3.930 -4.199) 5.844 11.461 ( 3.662 1.342 3.160) 5.019 11.539 ( 3.444 1.706 -1.620) 4.171 12.009 ( -2.108 -1.280 0.872) 2.616 12.017 ( 0.902 -2.370 -0.897) 2.690 12.439 ( -0.329 2.963 1.054) 3.162 12.459 ( 0.879 2.010 -1.003) 2.412 13.087 ( -1.202 3.606 1.457) 4.071 13.120 ( 0.673 2.695 -2.228) 3.561 13.392 ( 0.826 -7.545 4.854) 9.010 13.546 ( -0.762 -6.879 -4.268) 8.132 15.902 ( -2.436 -0.874 3.534) 4.380 15.983 ( 0.319 -1.315 -3.280) 3.548 17.739 ( 7.975 -2.136 0.316) 8.263 17.898 ( -10.131 -5.571 -0.765) 11.586 18.159 ( 4.395 4.858 -0.472) 6.568 18.203 ( -1.629 6.682 0.411) 6.890 18.660 ( 3.055 -4.688 4.065) 6.916 18.806 ( -2.907 0.342 -3.868) 4.851 19.211 ( 4.791 2.484 -0.026) 5.397 19.290 ( -4.925 1.271 0.065) 5.087 19.759 ( 9.414 -7.906 0.713) 12.314 19.940 ( -11.776 -8.529 -0.459) 14.547 21.351 ( 12.781 8.451 0.539) 15.332 21.549 ( -10.766 7.868 -0.808) 13.359 22.050 ( 0.398 -3.586 1.080) 3.767 22.080 ( 0.122 -0.925 -1.141) 1.474 22.232 ( -2.137 1.710 5.551) 6.189 22.377 ( 2.673 0.059 -7.594) 8.051 22.922 ( -2.520 2.097 5.935) 6.781 23.018 ( 2.093 -1.900 -3.529) 4.521 23.320 ( -1.081 -2.540 3.429) 4.402 23.401 ( 1.859 -4.142 -3.529) 5.750 ======================= Grid point 159 (65/102) ======================= q-point: (-0.18 0.18 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.305 ( -2.016 19.254 4.431) 19.860 1.374 ( -1.067 17.203 1.226) 17.279 1.615 ( 1.268 7.667 3.203) 8.406 1.734 ( -1.770 6.403 -5.402) 8.562 2.017 ( -0.875 6.634 2.229) 7.053 2.210 ( 5.849 3.088 -10.787) 12.654 2.294 ( 1.992 7.398 2.197) 7.971 2.318 ( -1.314 5.568 -0.741) 5.769 2.596 ( -4.993 8.839 8.910) 13.507 2.695 ( -0.385 2.377 -0.923) 2.579 2.807 ( 2.668 1.521 2.081) 3.710 2.910 ( 0.432 4.526 -3.948) 6.021 3.038 ( -2.973 5.209 1.688) 6.231 3.077 ( -0.206 1.559 -1.655) 2.283 3.274 ( 3.017 -3.366 -0.563) 4.555 3.301 ( 0.947 -0.392 -2.381) 2.592 3.352 ( -1.565 -3.376 1.188) 3.906 3.376 ( 0.729 -0.450 -1.479) 1.709 3.548 ( -0.550 0.947 2.316) 2.562 3.629 ( 2.074 -0.395 -4.819) 5.261 3.740 ( -1.859 -3.187 1.674) 4.052 3.781 ( 0.906 -1.787 -2.670) 3.338 3.973 ( 4.325 -2.222 3.607) 6.054 3.999 ( -2.544 0.773 2.617) 3.730 4.060 ( -3.409 -6.673 2.624) 7.940 4.135 ( 2.403 -1.445 -1.336) 3.106 4.328 ( -8.403 -4.502 0.715) 9.560 4.416 ( 5.248 -1.388 -4.995) 7.377 4.618 ( -0.759 -0.346 7.452) 7.499 4.778 ( 1.454 -1.929 -4.997) 5.550 4.823 ( 0.542 4.817 0.779) 4.910 4.891 ( 2.375 2.044 -3.371) 4.602 5.211 ( -1.591 -2.784 2.755) 4.228 5.282 ( 2.508 -4.007 -3.111) 5.659 5.356 ( -1.360 2.532 2.475) 3.793 5.414 ( 0.798 1.050 -2.921) 3.205 5.456 ( -6.616 2.984 5.198) 8.927 5.562 ( 4.607 -0.431 -2.952) 5.488 5.654 ( -0.110 1.221 0.320) 1.267 5.701 ( -0.532 -0.749 -4.079) 4.181 6.080 ( 2.942 2.953 7.187) 8.308 6.169 ( 1.449 4.254 -2.156) 4.984 6.263 ( -2.885 4.001 3.159) 5.858 6.296 ( -7.248 2.840 2.687) 8.235 6.500 ( 10.898 -1.110 -2.867) 11.323 6.567 ( -3.495 -5.063 -7.256) 9.513 6.838 ( -3.205 4.288 7.099) 8.891 6.998 ( 2.812 4.550 -6.530) 8.441 7.155 ( -2.934 -3.801 5.416) 7.238 7.251 ( 1.474 -4.724 -3.017) 5.795 7.782 ( -0.844 -0.562 4.279) 4.398 7.910 ( 1.412 -1.280 -7.013) 7.267 8.074 ( -1.488 -2.462 0.208) 2.885 8.104 ( 2.238 -0.583 -1.940) 3.018 8.375 ( -4.352 -5.147 9.258) 11.452 8.557 ( 4.532 -2.991 -6.944) 8.815 9.027 ( -2.479 -2.017 4.684) 5.670 9.128 ( 1.333 -0.743 -2.927) 3.300 9.350 ( -4.550 -3.578 8.810) 10.541 9.405 ( 0.294 -2.373 4.784) 5.348 9.563 ( 2.713 2.246 -4.095) 5.401 9.663 ( 1.606 -1.192 -9.358) 9.569 10.320 ( 0.909 5.052 3.009) 5.950 10.374 ( -2.016 7.027 -1.439) 7.450 10.624 ( -0.854 -1.765 2.838) 3.449 10.710 ( 1.259 -0.055 -4.731) 4.896 10.910 ( -1.907 -0.293 3.485) 3.983 10.983 ( 3.476 -0.639 -3.205) 4.771 11.151 ( -2.505 -0.842 3.005) 4.002 11.203 ( 0.853 -0.149 -1.489) 1.723 11.482 ( -0.664 -0.833 2.229) 2.471 11.534 ( 0.735 0.109 -2.167) 2.291 12.039 ( -0.598 -3.792 1.736) 4.213 12.089 ( 1.320 -4.208 -2.503) 5.071 12.386 ( -1.081 2.609 2.093) 3.515 12.427 ( 0.572 1.959 -1.446) 2.501 13.027 ( -0.783 2.533 1.789) 3.199 13.075 ( 0.804 2.330 -2.284) 3.360 13.547 ( -0.504 -8.203 5.172) 9.711 13.666 ( 0.547 -7.420 -4.816) 8.863 15.906 ( -2.565 -0.610 4.635) 5.332 16.014 ( 2.505 -1.988 -4.409) 5.447 17.829 ( 5.019 -0.248 2.904) 5.803 17.911 ( -8.237 -3.836 -3.718) 9.817 18.035 ( -0.777 9.334 1.856) 9.548 18.079 ( 4.356 6.520 -1.183) 7.930 18.818 ( -6.582 -11.463 2.243) 13.408 18.866 ( 6.073 -7.234 -1.759) 9.608 19.224 ( 4.400 -0.090 1.783) 4.748 19.275 ( -4.526 -3.750 -2.502) 6.388 19.968 ( 0.475 -8.414 2.603) 8.821 20.029 ( -0.251 -9.004 -2.484) 9.344 21.275 ( 4.385 9.317 0.984) 10.344 21.300 ( -4.409 11.517 -1.014) 12.373 22.058 ( -1.027 3.633 0.784) 3.856 22.061 ( 0.478 2.828 0.429) 2.900 22.229 ( -2.100 -2.692 5.095) 6.133 22.400 ( 4.350 -1.290 -9.900) 10.890 22.878 ( -3.572 1.748 9.152) 9.979 23.046 ( 2.228 -0.501 -5.972) 6.393 23.352 ( -1.450 -0.921 5.136) 5.416 23.468 ( 1.092 -2.783 -4.740) 5.604 ======================= Grid point 160 (66/102) ======================= q-point: (-0.09 0.18 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.013 ( 0.886 15.687 -1.547) 15.788 1.047 ( 6.116 15.701 -0.469) 16.857 1.460 ( 1.841 12.722 2.600) 13.115 1.557 ( 4.886 11.910 -6.083) 14.238 1.900 ( 0.737 8.707 7.060) 11.234 2.026 ( 2.953 17.971 -1.759) 18.296 2.159 ( -1.712 8.132 5.350) 9.883 2.229 ( 4.641 10.078 5.389) 12.335 2.554 ( 2.032 -7.704 -3.987) 8.909 2.607 ( -1.062 4.584 -3.596) 5.922 2.761 ( 3.618 9.270 -5.592) 11.415 2.801 ( 4.778 5.113 -2.977) 7.605 2.965 ( -0.059 2.721 3.666) 4.566 3.048 ( 2.599 2.143 -0.388) 3.391 3.261 ( -5.610 0.171 1.253) 5.751 3.363 ( -2.011 -0.451 0.868) 2.236 3.386 ( -0.170 -1.750 1.152) 2.102 3.423 ( 5.008 -3.319 -3.082) 6.752 3.510 ( -4.656 -1.034 3.736) 6.058 3.651 ( 0.765 -1.037 -4.721) 4.894 3.789 ( -0.037 -0.287 0.169) 0.335 3.799 ( -1.710 -3.236 -1.521) 3.963 3.971 ( -3.838 0.384 -0.129) 3.859 4.062 ( 5.714 -3.068 -0.130) 6.487 4.127 ( -8.159 -2.458 0.240) 8.524 4.200 ( 3.976 -3.432 5.147) 7.354 4.364 ( -8.478 -6.746 -0.831) 10.866 4.480 ( 6.080 -2.099 1.900) 6.707 4.652 ( 1.805 -1.650 4.532) 5.149 4.728 ( -2.976 2.464 -2.274) 4.483 4.789 ( 0.913 0.667 -2.705) 2.932 4.910 ( 6.222 -0.530 -4.618) 7.766 5.183 ( -8.416 6.073 1.200) 10.448 5.248 ( -3.486 0.555 3.096) 4.695 5.345 ( -4.707 -4.187 -1.111) 6.397 5.403 ( 6.241 0.442 0.435) 6.272 5.463 ( -0.170 -0.328 -1.040) 1.104 5.526 ( -1.493 2.508 -1.583) 3.320 5.688 ( -0.018 -2.258 -0.239) 2.270 5.731 ( 4.503 0.353 0.015) 4.517 6.044 ( 3.770 4.394 2.428) 6.278 6.072 ( 2.344 4.310 -1.834) 5.238 6.228 ( -2.283 2.558 2.426) 4.200 6.260 ( 2.867 -2.357 1.020) 3.849 6.559 ( -8.971 -3.056 -5.173) 10.798 6.667 ( 13.417 -1.391 2.020) 13.640 6.805 ( 2.535 -2.830 2.163) 4.371 6.970 ( 4.761 0.857 -4.606) 6.680 7.216 ( 0.190 -2.918 4.544) 5.403 7.329 ( 2.641 -2.261 -3.190) 4.719 7.793 ( 1.992 1.186 4.254) 4.844 7.937 ( 4.430 0.163 -7.569) 8.771 8.053 ( -4.176 -2.156 2.361) 5.260 8.179 ( 4.404 -2.992 -3.157) 6.190 8.458 ( -6.346 -5.418 8.237) 11.725 8.645 ( 1.389 -6.252 -4.652) 7.916 9.039 ( -2.610 -0.845 3.243) 4.248 9.113 ( 0.461 2.495 -0.812) 2.664 9.356 ( -5.795 -0.403 6.723) 8.885 9.467 ( -3.262 -2.681 9.542) 10.434 9.555 ( 6.156 0.467 -5.984) 8.598 9.677 ( -1.303 -1.689 -7.197) 7.506 10.241 ( -3.492 1.558 -0.856) 3.918 10.304 ( 5.765 1.238 -0.125) 5.898 10.651 ( 0.634 -0.430 1.490) 1.675 10.715 ( 2.475 -0.090 -4.215) 4.889 10.898 ( -7.296 -1.275 2.125) 7.705 11.032 ( 3.583 0.087 1.002) 3.722 11.164 ( 1.272 -1.248 2.281) 2.895 11.235 ( 2.332 -2.485 -1.328) 3.657 11.479 ( -2.654 -0.762 -0.430) 2.794 11.542 ( 3.055 0.368 -0.420) 3.106 12.142 ( 1.452 -5.487 0.864) 5.741 12.168 ( 1.298 -5.437 -2.203) 6.008 12.346 ( -0.647 1.372 2.078) 2.573 12.392 ( 0.487 1.842 -1.289) 2.300 12.993 ( -1.003 1.101 1.990) 2.486 13.042 ( 0.192 1.336 -1.837) 2.280 13.691 ( -1.343 -7.504 3.833) 8.532 13.787 ( -0.097 -6.705 -4.162) 7.892 15.907 ( -2.070 -0.286 5.103) 5.514 16.081 ( 5.468 -3.807 -4.490) 8.035 17.768 ( -6.049 5.775 1.927) 8.582 17.847 ( -6.225 3.531 -3.427) 7.935 17.865 ( -2.517 8.803 3.486) 9.797 18.145 ( 17.448 -3.878 -2.027) 17.988 18.970 ( -9.444 -13.290 -0.574) 16.314 19.086 ( 5.779 -9.209 0.959) 10.915 19.290 ( -0.588 -6.368 1.210) 6.509 19.358 ( 4.256 -6.279 -2.154) 7.886 20.080 ( -8.552 -9.739 1.028) 13.002 20.223 ( 6.271 -6.931 -1.432) 9.456 20.991 ( -11.288 12.422 -0.068) 16.785 21.171 ( 13.297 13.297 0.871) 18.825 21.958 ( -1.681 5.255 0.342) 5.528 21.995 ( 2.492 5.673 0.887) 6.259 22.284 ( -1.996 -3.480 2.946) 4.977 22.429 ( 3.919 -0.586 -8.160) 9.071 22.851 ( -4.169 0.361 9.830) 10.683 23.040 ( 1.146 1.136 -6.817) 7.005 23.346 ( -2.897 1.454 6.515) 7.277 23.479 ( -2.687 0.188 -6.562) 7.093 ======================= Grid point 165 (67/102) ======================= q-point: ( 0.27 0.27 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 102 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.095 ( 13.326 -0.000 10.007) 16.665 1.179 ( 14.901 -0.000 5.643) 15.934 1.305 ( 19.864 -0.000 -6.003) 20.751 1.462 ( 22.071 -0.000 -7.730) 23.386 2.100 ( 11.306 -0.000 0.278) 11.309 2.119 ( 27.492 -0.000 -1.232) 27.520 2.253 ( 16.344 -0.000 -6.920) 17.749 2.412 ( -0.354 0.000 7.684) 7.692 2.570 ( -2.344 0.000 4.531) 5.101 2.583 ( -11.286 0.000 6.193) 12.873 2.627 ( 11.299 -0.000 -8.122) 13.915 2.709 ( -3.795 0.000 -2.072) 4.324 2.925 ( 2.086 -0.000 -0.205) 2.096 3.075 ( 6.604 -0.000 -1.824) 6.851 3.144 ( -2.290 0.000 -4.125) 4.718 3.266 ( -3.818 0.000 4.341) 5.781 3.459 ( -2.797 0.000 -5.241) 5.941 3.495 ( 5.250 -0.000 1.505) 5.462 3.583 ( -2.811 0.000 -5.164) 5.880 3.599 ( -3.461 0.000 9.781) 10.375 3.708 ( -1.429 0.000 3.849) 4.106 3.750 ( 2.484 -0.000 -5.078) 5.653 3.929 ( -0.331 0.000 -4.248) 4.261 4.016 ( 3.088 -0.000 4.377) 5.357 4.271 ( -12.633 0.000 1.772) 12.757 4.315 ( 1.121 -0.000 3.068) 3.267 4.456 ( -4.590 0.000 -3.512) 5.779 4.465 ( -2.715 0.000 2.310) 3.565 4.572 ( -7.654 0.000 -1.338) 7.770 4.740 ( -3.902 0.000 -1.597) 4.216 4.895 ( 4.435 -0.000 -4.152) 6.075 4.917 ( -9.034 0.000 1.325) 9.131 5.004 ( -2.238 0.000 1.282) 2.580 5.102 ( 4.248 -0.000 -2.099) 4.738 5.168 ( -11.995 0.000 -1.125) 12.048 5.180 ( -9.189 0.000 0.890) 9.232 5.183 ( 0.679 -0.000 -1.170) 1.353 5.352 ( 4.605 -0.000 2.567) 5.272 5.529 ( -10.733 0.000 10.290) 14.869 5.809 ( -0.614 0.000 -10.244) 10.262 6.022 ( 11.553 -0.000 -6.690) 13.351 6.042 ( -1.553 0.000 6.903) 7.075 6.255 ( -8.474 0.000 6.698) 10.801 6.379 ( -1.113 0.000 -3.666) 3.831 6.761 ( 5.016 -0.000 -2.890) 5.788 6.921 ( 11.153 -0.000 2.708) 11.477 7.129 ( 6.835 -0.000 -2.183) 7.176 7.151 ( -2.013 0.000 1.951) 2.803 7.436 ( 5.717 -0.000 2.001) 6.057 7.684 ( 3.751 -0.000 -5.310) 6.501 7.949 ( -2.832 0.000 -2.732) 3.935 8.039 ( 10.884 -0.000 -3.289) 11.370 8.142 ( -3.066 0.000 5.572) 6.360 8.497 ( -9.275 0.000 -1.978) 9.483 8.552 ( 0.916 -0.000 -7.275) 7.333 8.668 ( -14.112 0.000 10.790) 17.765 8.920 ( 1.663 -0.000 -2.654) 3.132 9.059 ( -2.564 0.000 -1.332) 2.890 9.432 ( -0.707 0.000 11.780) 11.801 9.775 ( 8.705 -0.000 -9.417) 12.824 9.817 ( 12.919 -0.000 -8.928) 15.704 9.973 ( -6.596 0.000 8.453) 10.722 10.271 ( -8.731 0.000 3.739) 9.498 10.308 ( 1.835 -0.000 -8.911) 9.098 10.518 ( 3.444 -0.000 -1.411) 3.722 10.606 ( -3.146 0.000 5.880) 6.669 11.029 ( 3.913 -0.000 2.769) 4.793 11.093 ( 5.258 -0.000 0.685) 5.303 11.178 ( 11.060 -0.000 1.072) 11.112 11.510 ( 6.335 -0.000 2.530) 6.821 11.681 ( -6.127 0.000 -5.745) 8.400 11.710 ( 7.735 -0.000 3.836) 8.634 12.079 ( -5.759 0.000 0.912) 5.831 12.134 ( -1.317 0.000 -1.349) 1.885 12.825 ( -1.905 0.000 -0.823) 2.076 12.846 ( -1.318 0.000 0.403) 1.378 13.244 ( 14.238 -0.000 6.032) 15.463 13.266 ( 10.016 -0.000 -4.745) 11.083 13.772 ( -4.803 0.000 -1.029) 4.912 13.780 ( -4.101 0.000 0.412) 4.122 15.907 ( -5.117 0.000 0.945) 5.203 16.308 ( -21.286 0.000 2.704) 21.457 17.655 ( 8.644 -0.000 -2.450) 8.984 17.666 ( 10.022 -0.000 3.508) 10.618 18.303 ( 8.746 -0.000 5.875) 10.536 18.340 ( 7.792 -0.000 -5.310) 9.429 18.928 ( -11.094 0.000 -3.259) 11.563 18.944 ( -13.475 0.000 2.283) 13.668 19.815 ( 1.114 -0.000 1.178) 1.621 20.000 ( -5.514 0.000 0.540) 5.540 20.394 ( -2.852 0.000 5.711) 6.383 20.606 ( 12.993 -0.000 -16.852) 21.279 20.909 ( 8.868 -0.000 9.749) 13.179 21.068 ( 17.529 -0.000 -8.263) 19.379 21.937 ( 0.780 -0.000 4.191) 4.263 22.046 ( 6.929 -0.000 -2.581) 7.394 22.278 ( -11.572 0.000 12.773) 17.235 22.434 ( 2.045 -0.000 1.784) 2.714 22.443 ( 1.886 -0.000 -0.474) 1.945 22.665 ( -7.367 0.000 -6.806) 10.030 22.885 ( -5.999 0.000 -0.052) 5.999 22.903 ( -5.883 0.000 0.300) 5.891 ======================= Grid point 166 (68/102) ======================= q-point: ( 0.36 0.27 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.249 ( 15.468 -4.704 2.323) 16.334 1.402 ( 7.904 -10.685 7.635) 15.327 1.431 ( 17.226 1.077 -3.394) 17.590 1.616 ( 19.728 -0.606 -7.590) 21.147 2.099 ( 5.704 3.326 2.008) 6.902 2.244 ( -6.433 8.904 5.507) 12.288 2.344 ( 17.874 -3.937 -8.817) 20.316 2.391 ( 7.137 -3.348 2.288) 8.209 2.598 ( 0.530 -4.644 3.381) 5.768 2.636 ( -7.369 -6.492 1.018) 9.874 2.711 ( -0.535 -4.219 0.944) 4.356 2.788 ( 11.512 -6.348 -5.973) 14.440 2.943 ( 5.297 0.282 -2.856) 6.024 3.084 ( 4.181 2.159 -1.356) 4.897 3.155 ( -1.856 -1.846 0.287) 2.633 3.258 ( -1.655 -0.294 5.192) 5.457 3.387 ( -2.511 3.108 -2.750) 4.850 3.502 ( 0.774 1.750 -1.308) 2.318 3.560 ( -5.679 3.104 6.032) 8.847 3.606 ( 3.372 -3.069 -2.977) 5.445 3.700 ( -4.103 1.379 1.185) 4.488 3.767 ( 6.534 -0.621 -2.547) 7.040 3.883 ( 0.936 4.259 -2.544) 5.048 4.002 ( -3.434 1.762 5.566) 6.773 4.130 ( -2.886 6.355 -0.365) 6.989 4.312 ( -5.074 4.047 1.831) 6.743 4.385 ( -2.135 0.451 -1.707) 2.771 4.488 ( -3.787 -0.757 -0.225) 3.868 4.555 ( -3.474 -2.448 2.412) 4.887 4.669 ( 0.202 1.905 -2.521) 3.166 4.791 ( -4.663 0.437 -4.335) 6.382 4.946 ( -5.353 2.124 1.747) 6.018 5.005 ( -7.367 -1.233 -0.039) 7.470 5.099 ( -1.458 -0.835 -1.233) 2.084 5.103 ( -9.767 -2.026 0.475) 9.986 5.196 ( 1.755 0.801 -0.258) 1.946 5.227 ( -3.962 -8.385 -1.772) 9.442 5.365 ( 5.518 0.305 4.179) 6.928 5.475 ( -7.117 -1.910 5.123) 8.975 5.861 ( -0.747 -4.802 -7.410) 8.862 5.961 ( 4.089 3.872 0.786) 5.686 6.179 ( 4.992 -4.165 1.019) 6.581 6.212 ( -5.357 -1.497 2.699) 6.182 6.383 ( 0.284 -2.021 -0.461) 2.092 6.793 ( 5.657 0.455 -2.491) 6.198 6.994 ( 9.232 0.896 2.689) 9.657 7.088 ( 1.344 2.859 0.046) 3.160 7.229 ( -0.412 -4.034 0.781) 4.130 7.468 ( 4.542 0.857 -0.903) 4.709 7.700 ( 1.029 0.167 -5.821) 5.914 7.899 ( -4.299 2.152 -0.816) 4.876 8.065 ( 6.108 2.302 0.601) 6.555 8.169 ( 1.260 -0.859 2.089) 2.586 8.381 ( -9.420 4.565 -1.611) 10.592 8.512 ( -4.648 3.761 -1.595) 6.188 8.542 ( -3.321 2.593 3.378) 5.400 8.935 ( -1.296 0.083 -1.216) 1.779 9.038 ( -5.263 -1.022 -0.231) 5.366 9.442 ( 1.196 2.153 5.993) 6.479 9.707 ( 2.244 8.820 1.028) 9.159 9.842 ( -8.653 6.667 3.462) 11.460 9.889 ( 13.542 1.298 -9.009) 16.317 10.253 ( -2.088 -1.053 4.135) 4.751 10.354 ( 0.439 -2.869 -5.213) 5.966 10.487 ( 6.608 3.098 -3.034) 7.904 10.643 ( -2.297 -2.642 4.227) 5.489 10.998 ( 5.310 5.007 1.175) 7.392 11.127 ( 4.163 1.447 2.146) 4.902 11.328 ( 9.935 -5.590 0.543) 11.412 11.586 ( 5.099 -0.815 -2.087) 5.570 11.651 ( -2.439 -3.275 -1.713) 4.429 11.730 ( 5.062 3.433 2.761) 6.711 12.041 ( -3.516 0.383 0.132) 3.539 12.138 ( -1.278 -1.463 -0.479) 2.001 12.809 ( -1.623 -0.541 -0.132) 1.716 12.862 ( -1.429 -2.756 -0.035) 3.105 13.150 ( 10.055 14.248 0.396) 17.443 13.295 ( 12.318 10.945 0.722) 16.494 13.670 ( -6.999 2.781 -0.845) 7.578 13.754 ( -4.804 2.613 -0.130) 5.470 15.871 ( -6.146 -0.658 1.321) 6.321 16.151 ( -17.127 1.291 0.171) 17.176 17.613 ( 9.593 7.285 -0.072) 12.046 17.782 ( 5.725 -2.044 0.454) 6.096 18.125 ( 13.916 8.386 -0.082) 16.247 18.641 ( -0.007 -6.031 1.776) 6.287 18.822 ( -8.090 1.749 -1.741) 8.458 18.974 ( -14.623 -14.158 0.413) 20.359 19.713 ( -1.898 10.976 2.089) 11.333 19.842 ( -3.167 10.390 -0.529) 10.875 20.203 ( 1.432 18.141 4.242) 18.685 20.540 ( 9.758 12.066 -11.584) 19.365 21.105 ( 5.062 -10.635 8.311) 14.415 21.238 ( 14.176 -6.308 -6.812) 16.945 21.915 ( 2.887 1.990 2.753) 4.458 22.075 ( 4.410 -0.426 2.072) 4.891 22.312 ( -3.056 -0.196 -1.289) 3.322 22.401 ( -3.294 -0.722 0.550) 3.417 22.537 ( 0.186 -8.491 2.808) 8.945 22.711 ( -4.700 -7.878 -0.977) 9.225 22.857 ( -6.518 -2.768 -0.713) 7.118 22.915 ( -6.205 -5.827 -0.435) 8.523 ======================= Grid point 167 (69/102) ======================= q-point: ( 0.45 0.27 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.452 ( 7.623 -2.238 2.088) 8.214 1.506 ( 15.974 -1.496 -2.732) 16.275 1.653 ( 3.147 -8.715 1.207) 9.344 1.720 ( 8.050 -3.008 -0.597) 8.614 2.096 ( -0.109 2.382 3.438) 4.184 2.151 ( 4.926 -2.630 -0.824) 5.645 2.398 ( 3.732 -0.269 -2.708) 4.619 2.595 ( 4.480 -6.527 -0.204) 7.919 2.652 ( 3.066 -2.628 -2.940) 4.995 2.712 ( -12.369 -5.676 1.852) 13.735 2.770 ( 4.067 -3.373 -0.183) 5.287 2.977 ( 2.324 -0.571 2.485) 3.450 2.992 ( 10.885 -4.447 -6.680) 13.523 3.097 ( 7.672 -0.123 -0.147) 7.675 3.140 ( -4.443 -0.388 4.475) 6.318 3.244 ( -4.842 0.411 1.587) 5.112 3.359 ( 4.681 0.352 0.167) 4.697 3.435 ( -5.359 4.749 2.324) 7.528 3.501 ( 1.730 -0.932 -2.037) 2.830 3.626 ( -5.235 1.297 -1.511) 5.601 3.678 ( 0.081 -2.157 1.020) 2.387 3.767 ( 0.132 7.932 -0.725) 7.966 3.835 ( 5.900 -0.537 -0.567) 5.951 4.001 ( -1.139 -2.879 3.321) 4.540 4.014 ( 3.847 6.696 -1.878) 7.948 4.180 ( -6.004 5.268 0.158) 7.989 4.325 ( -2.600 3.920 -0.949) 4.799 4.485 ( -1.378 1.625 -0.628) 2.221 4.517 ( -5.672 -0.785 1.334) 5.879 4.660 ( -6.563 -0.302 -1.452) 6.728 4.794 ( -0.680 -2.901 -3.434) 4.546 4.903 ( -1.121 0.032 1.310) 1.724 4.942 ( -3.595 -0.096 1.067) 3.751 5.050 ( -7.860 -1.480 0.801) 8.038 5.106 ( -1.210 3.369 1.886) 4.046 5.171 ( -4.421 -5.145 -1.142) 6.879 5.363 ( -2.350 -7.849 0.266) 8.198 5.493 ( 8.836 -5.303 -1.533) 10.419 5.508 ( -3.929 -4.749 3.873) 7.279 5.862 ( 1.782 1.339 -1.716) 2.813 5.980 ( -0.335 -1.097 -0.782) 1.388 6.180 ( -3.589 -1.546 -1.183) 4.083 6.317 ( 3.927 -4.217 4.266) 7.170 6.466 ( 4.313 -5.133 -1.634) 6.901 6.812 ( 4.847 1.269 -1.762) 5.311 7.037 ( 7.444 2.755 1.690) 8.116 7.047 ( -0.141 1.713 0.581) 1.815 7.280 ( -1.859 -2.634 0.787) 3.318 7.455 ( 0.752 3.335 -0.465) 3.450 7.619 ( -0.830 8.015 -5.270) 9.628 7.821 ( -2.826 3.162 1.171) 4.399 8.056 ( 0.625 3.314 3.321) 4.733 8.164 ( -1.201 2.752 0.791) 3.105 8.210 ( -5.474 4.954 -6.256) 9.677 8.422 ( -1.942 1.310 1.045) 2.565 8.547 ( 0.039 -2.428 0.907) 2.592 8.910 ( 0.383 1.079 -2.246) 2.521 9.001 ( -7.811 0.003 2.424) 8.179 9.345 ( 1.647 10.994 1.762) 11.256 9.542 ( -4.294 9.750 0.394) 10.661 9.705 ( 1.576 3.626 7.286) 8.289 9.953 ( 10.295 0.466 -8.669) 13.466 10.267 ( -1.477 -0.671 3.408) 3.775 10.377 ( -0.568 -1.784 -0.262) 1.891 10.530 ( 8.208 -1.731 -6.473) 10.596 10.671 ( -2.455 -1.753 3.778) 4.835 10.956 ( 4.831 4.161 0.434) 6.391 11.102 ( -0.196 3.024 1.210) 3.263 11.481 ( 7.665 -2.465 -1.218) 8.144 11.590 ( 3.458 0.862 0.864) 3.667 11.658 ( 3.535 5.257 -1.024) 6.417 11.764 ( 4.710 -2.626 1.359) 5.561 12.014 ( -1.304 0.643 -0.578) 1.564 12.148 ( -2.786 -0.929 0.304) 2.952 12.824 ( 2.425 0.290 0.430) 2.480 12.921 ( -1.824 -4.182 -0.352) 4.576 12.950 ( 7.105 12.442 0.378) 14.332 13.086 ( 8.910 19.366 -0.224) 21.319 13.573 ( -7.113 3.201 0.319) 7.807 13.634 ( -5.044 5.123 -1.034) 7.263 15.851 ( -4.855 -1.389 1.041) 5.156 16.027 ( -11.308 0.527 -0.514) 11.332 17.576 ( 8.243 3.854 -0.079) 9.100 17.821 ( -0.315 -0.072 0.170) 0.365 18.154 ( 14.298 2.309 0.146) 14.484 18.607 ( -4.824 5.101 0.649) 7.051 18.750 ( -2.032 1.408 -0.354) 2.497 19.126 ( -12.652 -10.480 -1.515) 16.499 19.515 ( -3.975 5.853 3.108) 7.728 19.632 ( -3.120 9.807 -2.526) 10.597 19.889 ( 5.760 19.727 6.297) 21.494 20.306 ( 5.677 17.605 -7.600) 19.998 21.332 ( 6.131 -7.981 4.500) 11.025 21.440 ( 8.339 -7.795 -3.165) 11.846 21.921 ( 3.918 0.850 -0.077) 4.010 22.156 ( 2.708 -3.812 4.641) 6.588 22.217 ( -2.901 5.612 -2.019) 6.632 22.419 ( -1.842 -2.118 -5.717) 6.369 22.682 ( -1.356 -6.497 5.699) 8.749 22.826 ( -1.095 -7.232 -1.287) 7.426 22.894 ( -7.516 -7.628 1.446) 10.806 22.997 ( -5.712 -7.753 -1.790) 9.795 ======================= Grid point 168 (70/102) ======================= q-point: ( 0.55 0.27 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.485 ( 0.836 -0.982 5.032) 5.195 1.599 ( 7.692 2.431 -6.067) 10.094 1.795 ( 7.587 -7.648 -2.534) 11.067 1.924 ( -2.019 -12.238 1.271) 12.468 2.113 ( 3.128 -1.546 4.839) 5.966 2.248 ( 1.843 -3.506 -1.387) 4.197 2.456 ( 5.969 -3.222 -3.084) 7.452 2.616 ( -2.770 0.807 1.137) 3.101 2.674 ( -4.069 1.222 -0.980) 4.360 2.752 ( -1.709 -4.129 -3.614) 5.748 2.832 ( -0.723 3.675 6.090) 7.150 2.922 ( 2.121 1.078 0.205) 2.388 3.104 ( -1.039 -0.912 1.403) 1.970 3.131 ( 8.567 -2.000 -4.058) 9.688 3.216 ( -1.607 0.128 -0.282) 1.637 3.228 ( 1.248 -4.668 -0.828) 4.903 3.360 ( -0.538 2.268 5.203) 5.701 3.419 ( 5.890 -2.514 -0.438) 6.419 3.541 ( -1.626 -1.575 1.397) 2.660 3.577 ( -3.373 0.569 -4.160) 5.386 3.642 ( -0.310 1.935 0.286) 1.981 3.702 ( 1.338 1.062 -1.377) 2.194 3.855 ( -0.587 -0.550 1.114) 1.374 3.906 ( -1.246 5.493 2.122) 6.019 4.048 ( -2.700 4.529 -2.425) 5.804 4.090 ( 2.732 -2.354 -0.143) 3.609 4.231 ( -1.115 2.569 0.130) 2.804 4.417 ( -2.926 3.779 0.485) 4.804 4.513 ( -6.308 -2.424 -0.056) 6.758 4.574 ( -8.076 0.758 -1.447) 8.240 4.851 ( 2.222 -1.104 -1.007) 2.678 4.911 ( 1.514 -2.359 3.135) 4.206 5.008 ( 2.960 -5.301 -1.334) 6.216 5.055 ( -1.500 -1.944 3.248) 4.072 5.089 ( -5.069 -5.138 0.720) 7.253 5.211 ( -3.635 -2.343 -3.557) 5.600 5.464 ( -0.882 -4.596 0.507) 4.707 5.591 ( -1.915 -5.404 5.607) 8.019 5.614 ( 6.341 -1.804 -5.154) 8.369 5.874 ( 1.506 -1.319 -1.501) 2.502 5.963 ( 0.514 1.956 2.476) 3.198 6.194 ( -3.014 -2.984 -3.956) 5.800 6.414 ( 2.387 -1.956 7.339) 7.961 6.583 ( 4.000 -4.074 -3.963) 6.950 6.813 ( 3.408 1.522 -0.982) 3.859 6.964 ( -1.047 4.873 -2.953) 5.793 7.073 ( 5.111 1.296 5.816) 7.851 7.291 ( -0.360 1.950 -2.899) 3.512 7.337 ( -4.443 8.835 2.657) 10.240 7.426 ( -1.029 9.085 -2.481) 9.473 7.757 ( -0.269 2.540 0.582) 2.619 7.968 ( -3.807 4.971 -2.116) 6.609 8.021 ( -6.190 4.615 3.563) 8.503 8.170 ( 1.695 1.094 -7.055) 7.338 8.434 ( 1.927 -0.521 2.063) 2.871 8.589 ( -3.887 -1.824 1.182) 4.453 8.910 ( 6.443 0.693 -3.844) 7.535 8.947 ( -7.036 -0.199 3.999) 8.095 9.160 ( 1.939 9.395 2.783) 9.988 9.342 ( -4.206 7.461 -1.117) 8.637 9.721 ( 4.154 0.551 6.505) 7.738 9.964 ( 5.499 3.217 -6.907) 9.397 10.284 ( 1.988 -0.807 2.251) 3.110 10.412 ( -2.642 -3.195 -1.134) 4.299 10.619 ( 7.004 -2.904 -4.578) 8.858 10.690 ( -3.321 -2.090 3.260) 5.101 10.921 ( 3.335 3.160 -0.128) 4.596 11.037 ( -3.867 2.418 0.368) 4.576 11.463 ( 2.174 6.481 1.273) 6.954 11.567 ( 3.093 6.728 -2.417) 7.789 11.658 ( 7.985 -0.313 2.846) 8.483 11.800 ( 5.309 3.578 -0.939) 6.471 11.995 ( 0.851 1.089 -0.829) 1.612 12.119 ( -5.102 1.306 0.712) 5.315 12.707 ( 7.390 12.581 0.059) 14.591 12.797 ( 2.538 15.512 -0.190) 15.720 12.931 ( -0.260 -4.671 1.570) 4.935 13.027 ( 0.725 -6.422 -1.357) 6.603 13.438 ( -4.448 6.364 1.451) 7.899 13.524 ( -4.504 3.395 -2.034) 5.995 15.853 ( -2.405 -1.562 0.903) 3.007 15.961 ( -6.669 -0.538 -0.565) 6.715 17.595 ( 6.774 0.464 -0.045) 6.790 17.795 ( -5.307 0.074 0.080) 5.308 18.209 ( 10.019 2.043 0.391) 10.232 18.448 ( -5.237 7.322 -0.771) 9.035 18.736 ( 3.807 1.797 2.613) 4.954 19.126 ( -6.051 0.895 -6.348) 8.816 19.448 ( -1.235 2.754 2.140) 3.700 19.518 ( -7.201 -4.166 -0.414) 8.329 19.634 ( 5.611 15.346 7.383) 17.930 19.989 ( 0.529 18.091 -5.433) 18.897 21.491 ( 9.877 -2.514 1.307) 10.276 21.610 ( 1.426 -7.016 0.738) 7.197 21.941 ( 2.751 -0.525 -1.956) 3.416 22.080 ( -3.406 6.036 -1.955) 7.201 22.236 ( -1.355 -2.528 6.468) 7.075 22.419 ( 0.330 -0.347 -7.267) 7.283 22.790 ( -0.147 -5.110 6.130) 7.982 22.917 ( 0.529 -4.248 -3.574) 5.577 23.024 ( -5.360 -10.131 2.543) 11.741 23.088 ( -3.515 -6.940 -1.863) 8.000 ======================= Grid point 169 (71/102) ======================= q-point: ( 0.64 0.27 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.536 ( -0.222 -2.882 2.288) 3.686 1.615 ( 6.719 -0.999 -7.099) 9.826 1.939 ( -0.381 -3.723 3.430) 5.077 2.032 ( -1.820 -1.607 -3.104) 3.941 2.227 ( -0.588 -6.359 7.242) 9.655 2.309 ( 2.157 -4.274 -2.064) 5.214 2.498 ( -0.317 4.925 2.498) 5.532 2.572 ( -0.201 2.873 -2.167) 3.604 2.613 ( 2.547 3.484 -0.733) 4.377 2.689 ( -8.197 2.337 1.530) 8.660 2.850 ( 6.767 -5.089 -0.686) 8.495 2.961 ( -1.352 -2.933 -1.860) 3.727 3.120 ( 1.397 -0.078 1.472) 2.031 3.177 ( 4.109 3.172 -2.569) 5.792 3.211 ( -1.660 -1.169 1.938) 2.806 3.273 ( -2.375 -2.377 -1.064) 3.525 3.326 ( 1.638 2.608 0.935) 3.219 3.388 ( -0.796 9.755 0.397) 9.795 3.526 ( -4.594 -1.437 0.675) 4.861 3.589 ( 5.225 -1.986 -7.155) 9.080 3.669 ( 2.974 -2.241 0.805) 3.810 3.726 ( -3.712 -3.786 0.980) 5.392 3.827 ( 2.181 1.706 2.563) 3.773 3.895 ( -4.695 -1.907 2.342) 5.583 3.996 ( 4.463 -0.700 -0.675) 4.568 4.084 ( -3.763 -0.357 -1.675) 4.135 4.273 ( 0.555 -1.485 1.365) 2.092 4.307 ( -1.614 2.204 -0.323) 2.751 4.530 ( -1.010 -2.448 -1.258) 2.931 4.546 ( -6.981 -3.541 -0.038) 7.828 4.870 ( 1.737 -0.283 3.306) 3.745 4.955 ( -0.093 -0.811 -0.736) 1.099 5.086 ( 1.211 -2.210 -0.030) 2.520 5.143 ( -0.032 -3.844 -0.553) 3.884 5.191 ( 0.396 -3.294 1.152) 3.512 5.233 ( -0.640 -9.239 -1.711) 9.418 5.506 ( 0.081 -0.037 0.471) 0.480 5.622 ( -0.732 1.120 -5.801) 5.953 5.675 ( 1.999 -1.776 6.566) 7.089 5.873 ( -3.158 -0.065 -4.419) 5.431 5.993 ( 6.290 -1.186 5.544) 8.468 6.215 ( -4.084 -3.004 -5.714) 7.639 6.432 ( 2.252 3.167 7.409) 8.366 6.614 ( 0.249 2.353 -4.287) 4.897 6.796 ( -0.297 4.661 1.436) 4.886 6.864 ( 0.127 2.813 -3.344) 4.372 7.059 ( 1.083 5.306 3.752) 6.588 7.123 ( -4.198 10.801 2.128) 11.782 7.174 ( 4.161 6.123 -0.563) 7.425 7.336 ( -3.057 2.116 -2.895) 4.712 7.741 ( 1.897 -0.082 0.007) 1.899 7.861 ( -5.442 1.104 -4.076) 6.888 7.951 ( -2.139 1.840 6.866) 7.423 8.144 ( 1.763 1.175 -9.324) 9.561 8.428 ( 1.913 4.047 3.978) 5.989 8.532 ( -3.085 3.325 -0.042) 4.536 8.912 ( -3.880 -1.150 4.840) 6.309 8.992 ( 4.332 -2.837 -5.160) 7.310 9.107 ( 5.794 -0.447 3.183) 6.626 9.234 ( -6.109 0.449 1.321) 6.266 9.739 ( 4.167 2.586 3.162) 5.835 9.895 ( 2.311 5.862 -5.703) 8.499 10.329 ( 1.568 -1.584 3.405) 4.069 10.445 ( -1.186 -2.950 -3.959) 5.078 10.678 ( -0.507 -0.600 1.672) 1.848 10.732 ( 0.438 -3.461 -1.397) 3.758 10.899 ( 3.052 1.573 -0.121) 3.436 10.969 ( -5.492 1.076 0.014) 5.596 11.337 ( 0.052 8.616 4.404) 9.676 11.454 ( 2.347 7.305 -4.469) 8.880 11.675 ( 4.328 4.940 2.392) 6.990 11.718 ( 4.947 8.444 -1.429) 9.890 11.988 ( 2.651 0.866 -0.826) 2.909 12.040 ( -5.862 2.251 0.854) 6.337 12.577 ( 2.858 6.410 -0.009) 7.018 12.596 ( 0.461 7.931 -0.022) 7.945 13.038 ( 1.080 -5.879 2.399) 6.440 13.140 ( -0.969 -5.703 -2.187) 6.184 13.316 ( 0.113 5.135 2.492) 5.709 13.434 ( -3.662 2.176 -2.952) 5.182 15.871 ( -0.259 -1.156 1.420) 1.849 15.939 ( -3.203 -1.197 -1.103) 3.593 17.654 ( 6.311 -1.638 0.035) 6.520 17.761 ( -7.153 -1.756 -0.050) 7.365 18.236 ( 5.132 1.168 0.244) 5.269 18.305 ( -3.198 4.278 -0.964) 5.428 18.724 ( 3.275 4.119 6.181) 8.118 19.003 ( -2.792 5.984 -10.083) 12.053 19.434 ( 4.304 10.670 9.082) 14.658 19.505 ( 5.973 -3.780 -1.974) 7.339 19.539 ( -4.770 1.244 0.274) 4.937 19.704 ( -7.719 5.603 -2.742) 9.925 21.572 ( 11.637 2.756 0.596) 11.974 21.689 ( -6.364 -2.330 2.009) 7.069 21.962 ( -1.267 1.265 -1.053) 2.077 21.983 ( 1.361 -1.194 -4.139) 4.518 22.263 ( -1.797 -0.690 6.208) 6.499 22.405 ( 0.048 0.620 -5.162) 5.199 22.888 ( 1.025 -4.217 3.144) 5.359 22.966 ( -0.064 -1.441 -1.450) 2.046 23.153 ( -3.326 -7.292 2.214) 8.315 23.198 ( 0.177 -7.159 -2.342) 7.535 ======================= Grid point 170 (72/102) ======================= q-point: (-0.27 0.27 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.574 ( 2.097 0.085 2.921) 3.597 1.699 ( 4.105 -4.723 -8.639) 10.667 1.890 ( -6.573 7.041 4.312) 10.554 1.991 ( 3.835 6.557 -4.114) 8.639 2.250 ( -7.946 5.255 11.731) 15.112 2.343 ( -2.250 3.990 0.883) 4.665 2.396 ( -2.203 0.289 -0.189) 2.230 2.507 ( 8.733 2.504 -5.662) 10.705 2.633 ( 0.823 -1.552 -0.450) 1.813 2.652 ( -0.268 -1.936 -1.463) 2.442 2.986 ( -6.283 -3.605 2.039) 7.525 3.012 ( 1.747 1.001 2.896) 3.527 3.046 ( -0.576 1.052 -0.802) 1.443 3.125 ( 4.013 4.419 -4.146) 7.268 3.200 ( 0.469 2.845 4.553) 5.389 3.284 ( 3.545 -2.201 0.056) 4.173 3.294 ( 1.332 2.852 -2.957) 4.319 3.319 ( -1.678 -3.201 -2.383) 4.329 3.528 ( -2.987 -0.749 2.609) 4.036 3.624 ( 2.179 -1.636 -5.242) 5.908 3.692 ( -3.288 0.163 2.469) 4.115 3.756 ( 1.915 -0.523 -2.808) 3.439 3.870 ( -0.337 -2.687 2.889) 3.959 3.899 ( 0.322 -1.834 0.470) 1.920 4.056 ( -1.521 0.501 0.186) 1.612 4.084 ( 3.406 -2.455 -2.272) 4.774 4.230 ( -7.743 -1.986 6.377) 10.226 4.377 ( 9.207 -1.378 -6.302) 11.242 4.561 ( -1.164 -2.288 3.378) 4.242 4.602 ( -2.864 -6.164 -0.452) 6.812 4.908 ( 2.103 -1.307 1.170) 2.738 4.945 ( -1.461 0.934 -1.175) 2.094 5.122 ( -2.885 -2.226 -0.236) 3.652 5.153 ( 1.760 -1.011 -2.076) 2.903 5.298 ( 0.288 -6.377 5.554) 8.461 5.412 ( 3.514 -7.431 -3.751) 9.035 5.470 ( -0.298 3.610 1.425) 3.893 5.552 ( -3.104 3.342 -4.579) 6.463 5.711 ( 1.436 0.711 5.504) 5.732 5.838 ( -1.314 1.309 -4.716) 5.068 6.069 ( 0.645 -1.723 7.170) 7.402 6.200 ( -3.195 -0.701 -4.349) 5.442 6.418 ( 6.794 2.912 1.698) 7.585 6.473 ( -4.317 8.677 -2.704) 10.062 6.672 ( 0.980 7.272 3.353) 8.067 6.744 ( -1.916 12.051 -2.513) 12.458 6.988 ( 1.656 4.000 2.099) 4.811 7.029 ( -1.408 -3.863 -1.477) 4.369 7.131 ( 2.617 3.770 4.148) 6.186 7.242 ( -1.727 4.948 -4.889) 7.167 7.771 ( 1.098 -0.673 1.298) 1.829 7.839 ( -1.096 -2.606 -3.704) 4.659 7.944 ( -1.673 -0.944 5.365) 5.698 8.122 ( 3.921 1.079 -9.540) 10.371 8.346 ( -4.283 3.956 8.169) 10.036 8.506 ( 5.429 0.204 -5.530) 7.752 8.931 ( -3.976 -2.709 5.383) 7.220 9.041 ( -0.426 -2.837 -2.692) 3.934 9.195 ( -4.630 -3.622 5.208) 7.854 9.258 ( 3.322 -5.166 1.007) 6.224 9.699 ( 2.120 4.638 -0.137) 5.101 9.782 ( 1.601 6.386 -6.413) 9.190 10.363 ( -4.652 -2.067 5.269) 7.326 10.489 ( 5.179 -1.316 -5.540) 7.697 10.664 ( -0.364 2.170 3.786) 4.379 10.755 ( -1.285 0.480 -3.779) 4.021 10.910 ( -0.416 -0.791 1.977) 2.170 10.940 ( 0.066 -0.790 -0.582) 0.983 11.205 ( -0.923 6.039 4.747) 7.736 11.329 ( 0.849 6.273 -5.983) 8.710 11.567 ( 0.579 7.573 2.970) 8.155 11.612 ( -0.307 5.207 -1.232) 5.360 11.984 ( -3.153 0.317 0.881) 3.289 12.005 ( 3.241 -0.468 -0.907) 3.398 12.497 ( -0.538 3.853 0.450) 3.917 12.507 ( 0.405 3.234 -0.425) 3.287 13.125 ( 0.340 -0.383 1.433) 1.522 13.161 ( 0.023 0.940 -1.812) 2.041 13.302 ( -0.458 -2.637 5.191) 5.841 13.422 ( 0.068 -4.247 -4.999) 6.560 15.890 ( 0.302 -0.380 2.614) 2.659 15.949 ( -0.276 -1.747 -2.323) 2.920 17.742 ( 2.445 -2.938 0.611) 3.870 17.758 ( -2.737 -3.443 -0.682) 4.451 18.231 ( -4.539 0.342 0.552) 4.585 18.258 ( 6.031 2.348 -1.852) 6.732 18.666 ( -2.733 3.696 8.123) 9.333 18.864 ( 1.812 5.914 -9.239) 11.119 19.300 ( -1.639 6.189 4.425) 7.782 19.370 ( 1.152 9.291 -1.973) 9.568 19.688 ( 4.599 -7.264 0.880) 8.642 19.708 ( -4.344 -8.810 -0.788) 9.854 21.548 ( -2.097 6.166 2.830) 7.101 21.614 ( 1.993 5.377 -2.512) 6.260 21.975 ( -1.170 -3.545 1.606) 4.064 22.041 ( 2.380 -3.366 -4.093) 5.810 22.262 ( -1.645 1.200 5.682) 6.036 22.382 ( 0.562 0.521 -4.874) 4.933 22.945 ( -0.350 0.384 2.153) 2.215 22.983 ( 0.600 -2.340 -0.665) 2.506 23.249 ( -1.720 -4.930 2.661) 5.861 23.317 ( 1.405 -5.785 -2.881) 6.614 ======================= Grid point 171 (73/102) ======================= q-point: (-0.18 0.27 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.554 ( -2.284 5.417 7.709) 9.694 1.633 ( -2.593 15.008 2.883) 15.500 1.784 ( 4.720 1.654 -5.048) 7.106 1.822 ( 2.006 10.826 -4.911) 12.056 2.115 ( -1.515 4.921 2.142) 5.576 2.238 ( 2.623 3.951 -2.739) 5.477 2.398 ( -2.557 0.363 -0.283) 2.598 2.496 ( 7.081 7.744 -3.023) 10.920 2.610 ( -2.380 -0.234 2.930) 3.782 2.733 ( 3.623 -1.393 -1.232) 4.072 2.886 ( -3.204 7.193 7.017) 10.548 2.967 ( 1.149 -0.114 2.170) 2.458 3.049 ( -2.372 0.536 -2.352) 3.384 3.163 ( 4.320 6.456 -4.699) 9.079 3.197 ( -2.591 -3.733 -0.048) 4.544 3.246 ( 0.707 -4.232 1.503) 4.546 3.335 ( -0.303 -2.300 -0.499) 2.373 3.409 ( 6.385 -0.730 -4.183) 7.669 3.518 ( -2.788 -1.443 4.482) 5.472 3.623 ( -4.963 1.599 -2.978) 6.005 3.686 ( -0.124 -1.363 0.724) 1.548 3.755 ( -0.344 -0.960 -2.699) 2.886 3.916 ( -4.901 -5.464 3.507) 8.135 3.974 ( 4.769 -2.353 2.461) 5.860 4.013 ( -1.142 1.671 -0.152) 2.030 4.140 ( 4.794 -0.650 -4.515) 6.618 4.231 ( -5.679 -1.685 3.933) 7.110 4.443 ( 8.138 -0.111 -4.962) 9.532 4.602 ( -1.101 -1.698 7.093) 7.376 4.711 ( 1.400 -6.395 -2.425) 6.981 4.870 ( -6.850 2.398 -1.583) 7.428 4.952 ( 5.740 1.272 -0.793) 5.932 5.142 ( -3.486 -2.952 1.020) 4.681 5.207 ( 0.611 -3.405 -1.793) 3.896 5.388 ( -3.782 2.523 1.812) 4.894 5.430 ( 3.464 -0.843 -1.319) 3.801 5.465 ( -3.274 0.370 3.238) 4.620 5.511 ( 0.595 -3.683 -1.768) 4.129 5.698 ( 2.009 2.000 0.726) 2.926 5.770 ( 1.883 5.189 -4.012) 6.824 6.095 ( -4.627 -2.469 6.945) 8.703 6.212 ( 3.748 0.748 -1.073) 3.970 6.298 ( -5.710 3.701 1.259) 6.920 6.411 ( 2.684 7.910 1.075) 8.422 6.511 ( 0.838 6.025 -3.986) 7.272 6.618 ( 9.366 3.319 -2.937) 10.362 6.931 ( -0.967 4.571 6.354) 7.887 7.068 ( -0.779 0.645 -5.556) 5.647 7.112 ( 2.349 1.121 2.796) 3.820 7.187 ( 3.118 -2.526 -1.752) 4.379 7.784 ( 0.808 -0.499 2.839) 2.993 7.890 ( 3.960 -1.169 -6.032) 7.310 7.989 ( -1.585 -5.071 3.263) 6.235 8.116 ( 2.075 0.984 -5.976) 6.402 8.299 ( -5.471 -1.141 9.601) 11.109 8.548 ( 5.795 -1.022 -7.922) 9.868 8.963 ( -5.238 -3.135 5.366) 8.127 9.081 ( -1.842 -3.135 -2.352) 4.331 9.231 ( -8.370 -5.132 5.635) 11.320 9.370 ( 1.653 -3.387 4.562) 5.918 9.624 ( 0.043 3.780 -2.146) 4.347 9.686 ( 2.826 3.787 -8.597) 9.810 10.340 ( -8.478 0.521 3.084) 9.037 10.516 ( 7.711 4.313 -0.947) 8.886 10.632 ( 1.811 1.972 3.829) 4.672 10.714 ( 0.919 1.069 -5.335) 5.518 10.932 ( -0.971 -0.764 1.834) 2.212 10.961 ( 3.003 -0.733 -0.799) 3.193 11.147 ( -0.419 1.009 3.323) 3.498 11.237 ( 1.360 3.288 -4.175) 5.486 11.469 ( -4.768 2.426 3.044) 6.155 11.534 ( -2.950 1.112 -1.692) 3.578 11.986 ( -0.423 -1.992 0.795) 2.186 12.045 ( 2.441 -1.859 -1.123) 3.267 12.432 ( -1.201 3.033 1.087) 3.439 12.463 ( 0.078 2.055 -0.816) 2.213 13.081 ( -0.288 3.354 1.255) 3.592 13.128 ( 1.332 3.207 -2.074) 4.044 13.406 ( -2.170 -7.699 5.048) 9.458 13.530 ( 1.626 -7.027 -4.383) 8.440 15.901 ( 0.196 -0.002 3.469) 3.474 15.985 ( 1.881 -2.148 -3.260) 4.334 17.750 ( -8.456 -2.805 -0.260) 8.913 17.873 ( 8.470 -3.894 0.576) 9.340 18.165 ( -1.979 4.551 -0.520) 4.990 18.225 ( 3.693 6.046 -1.157) 7.178 18.625 ( -8.535 -3.190 4.859) 10.326 18.833 ( 7.157 -1.543 -4.167) 8.424 19.204 ( -6.032 1.635 0.400) 6.262 19.287 ( 4.717 2.505 0.212) 5.345 19.768 ( -9.484 -7.857 0.243) 12.318 19.935 ( 12.145 -8.557 -0.184) 14.858 21.352 ( -13.034 8.037 0.497) 15.321 21.549 ( 11.339 8.275 -0.822) 14.062 22.038 ( -1.950 -3.741 1.105) 4.361 22.093 ( 1.519 -0.312 -1.242) 1.986 22.222 ( -2.247 1.897 5.347) 6.103 22.388 ( 3.154 -1.032 -7.474) 8.178 22.911 ( -2.328 2.433 5.742) 6.656 23.029 ( 1.405 -1.757 -3.345) 4.031 23.313 ( -1.794 -2.919 3.475) 4.880 23.405 ( 0.540 -3.824 -3.343) 5.108 ======================= Grid point 172 (74/102) ======================= q-point: (-0.09 0.27 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.303 ( -0.448 16.492 3.124) 16.792 1.390 ( 2.294 15.518 1.927) 15.804 1.639 ( 1.258 9.048 2.894) 9.583 1.770 ( 7.278 5.308 -2.345) 9.308 2.029 ( 2.904 6.012 -0.786) 6.723 2.259 ( 5.112 0.995 -9.138) 10.518 2.322 ( 3.592 7.534 -0.625) 8.370 2.395 ( 9.453 5.346 0.079) 10.860 2.564 ( -3.180 8.046 7.771) 11.629 2.667 ( -2.996 3.751 1.534) 5.040 2.853 ( 0.839 -0.669 0.861) 1.376 2.958 ( 8.444 7.241 -4.666) 12.063 3.013 ( -1.744 2.085 2.691) 3.825 3.054 ( -2.505 -0.295 -0.550) 2.581 3.279 ( -1.607 1.937 -2.209) 3.348 3.316 ( 2.564 -5.609 -1.607) 6.373 3.349 ( 0.154 0.089 0.607) 0.632 3.389 ( 1.440 0.695 -0.428) 1.655 3.493 ( -6.715 2.425 0.449) 7.154 3.621 ( -0.532 -4.234 -1.024) 4.388 3.720 ( -1.340 -2.966 0.442) 3.284 3.774 ( -0.603 -1.192 -1.540) 2.039 3.965 ( -2.496 1.670 -0.947) 3.149 3.999 ( -5.439 -5.914 2.889) 8.539 4.065 ( 5.935 -1.832 2.274) 6.614 4.170 ( 0.797 -1.799 2.017) 2.818 4.229 ( -4.231 -2.097 -0.356) 4.736 4.490 ( 4.734 -1.464 -1.833) 5.284 4.645 ( 2.204 -1.642 5.086) 5.782 4.736 ( -5.413 3.371 -5.856) 8.658 4.826 ( 3.076 -0.807 -0.056) 3.181 4.954 ( 3.925 1.626 -1.534) 4.517 5.169 ( -3.355 -2.023 1.157) 4.085 5.231 ( -6.258 -0.890 -1.768) 6.564 5.281 ( -7.333 2.746 2.172) 8.126 5.403 ( -1.553 0.925 0.628) 1.914 5.467 ( 1.241 1.133 -1.271) 2.107 5.618 ( 0.335 -5.116 0.941) 5.213 5.643 ( 3.271 5.965 -1.439) 6.954 5.761 ( 6.541 -0.928 -0.103) 6.607 6.097 ( -4.090 1.091 1.827) 4.610 6.217 ( 6.283 1.473 -2.420) 6.892 6.238 ( 0.905 1.117 3.089) 3.408 6.273 ( 2.196 5.377 3.684) 6.878 6.471 ( -2.549 0.563 -4.386) 5.105 6.718 ( 15.494 -4.796 -3.703) 16.637 6.849 ( 0.553 4.993 5.752) 7.637 7.025 ( 3.993 2.369 -5.806) 7.434 7.167 ( 2.239 -3.993 3.937) 6.038 7.290 ( 4.443 -3.993 -1.001) 6.057 7.825 ( 4.143 -0.944 3.693) 5.630 7.920 ( 3.098 -2.138 -5.579) 6.730 8.040 ( -2.204 1.580 0.009) 2.712 8.130 ( 2.067 -4.523 -2.425) 5.533 8.339 ( -5.725 -4.829 8.076) 11.014 8.581 ( 2.630 -1.171 -6.792) 7.377 8.983 ( -6.268 -2.840 4.841) 8.414 9.108 ( -2.406 -1.838 -1.664) 3.455 9.270 ( -7.712 -4.431 3.750) 9.653 9.425 ( -2.145 -2.027 8.671) 9.159 9.570 ( -1.387 0.806 -3.375) 3.737 9.659 ( 4.701 0.681 -9.509) 10.630 10.256 ( -5.008 2.564 1.372) 5.791 10.440 ( 5.521 7.603 0.665) 9.420 10.653 ( 3.073 -0.670 1.649) 3.552 10.714 ( 1.618 -0.173 -4.137) 4.446 10.890 ( -2.452 3.264 2.345) 4.708 11.042 ( 5.366 -2.692 -1.547) 6.199 11.160 ( 2.229 -1.487 2.124) 3.419 11.217 ( 1.185 -0.197 -0.465) 1.288 11.422 ( -5.324 -1.818 0.131) 5.628 11.528 ( -1.836 -2.061 -0.487) 2.803 12.055 ( 1.103 -5.172 0.399) 5.303 12.100 ( 1.674 -2.988 -1.358) 3.684 12.379 ( -0.627 2.247 1.760) 2.922 12.428 ( 0.589 1.848 -1.052) 2.207 13.028 ( 0.095 2.784 1.720) 3.274 13.075 ( 0.308 2.748 -2.017) 3.423 13.541 ( -2.864 -8.335 2.877) 9.271 13.656 ( 0.365 -6.814 -2.716) 7.344 15.911 ( 0.521 0.050 3.641) 3.678 16.042 ( 3.325 -3.154 -3.478) 5.753 17.708 ( -10.372 -0.106 -0.816) 10.405 17.932 ( 0.433 4.581 1.670) 4.896 18.054 ( 2.134 8.985 0.496) 9.248 18.186 ( 11.185 -2.316 -1.561) 11.529 18.682 ( -9.832 -9.791 1.105) 13.919 18.988 ( 8.120 -8.087 0.119) 11.461 19.166 ( -5.347 -2.750 -2.368) 6.462 19.331 ( 5.631 -2.543 1.431) 6.342 19.844 ( -9.066 -8.733 0.093) 12.588 20.157 ( 8.630 -6.728 -0.361) 10.949 21.102 ( -10.630 9.358 -0.198) 14.163 21.471 ( 11.273 9.914 0.387) 15.018 22.040 ( -1.649 5.022 0.541) 5.313 22.067 ( 0.058 0.038 0.409) 0.414 22.226 ( -1.052 -1.913 4.412) 4.923 22.421 ( 4.175 -1.418 -9.743) 10.695 22.862 ( -3.784 2.037 9.135) 10.095 23.045 ( 0.935 0.011 -5.344) 5.425 23.338 ( -3.168 -0.821 4.428) 5.506 23.438 ( -2.427 -1.208 -3.960) 4.799 ======================= Grid point 178 (75/102) ======================= q-point: ( 0.36 0.36 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 102 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.315 ( 11.600 -0.000 4.328) 12.381 1.389 ( 10.808 -0.000 1.855) 10.966 1.572 ( 18.283 -0.000 -2.480) 18.451 1.748 ( 19.251 -0.000 -4.794) 19.838 2.173 ( -0.277 0.000 2.255) 2.272 2.322 ( -10.171 0.000 6.887) 12.283 2.388 ( 1.871 -0.000 -2.636) 3.233 2.393 ( -11.392 0.000 1.429) 11.482 2.435 ( 16.947 -0.000 -7.280) 18.445 2.574 ( -3.743 0.000 3.084) 4.849 2.683 ( 0.438 -0.000 -0.531) 0.689 2.830 ( 16.645 -0.000 -4.097) 17.142 3.000 ( 8.861 -0.000 -2.436) 9.190 3.101 ( -2.559 0.000 0.282) 2.575 3.135 ( -1.248 0.000 2.317) 2.632 3.251 ( -1.324 0.000 1.991) 2.391 3.412 ( 2.253 -0.000 -3.657) 4.296 3.498 ( -7.278 0.000 7.580) 10.508 3.529 ( 0.796 -0.000 -10.657) 10.686 3.633 ( 2.227 -0.000 3.578) 4.215 3.721 ( 1.366 -0.000 6.797) 6.933 3.785 ( 3.472 -0.000 -5.531) 6.530 3.936 ( 5.818 -0.000 -4.362) 7.272 3.971 ( -10.441 0.000 6.957) 12.546 4.208 ( 1.839 -0.000 1.627) 2.455 4.325 ( -1.993 0.000 1.836) 2.710 4.400 ( -1.932 0.000 -3.666) 4.144 4.455 ( -0.686 0.000 3.799) 3.860 4.484 ( -1.419 0.000 -0.862) 1.660 4.654 ( -5.144 0.000 -5.191) 7.308 4.836 ( -4.463 0.000 1.157) 4.610 4.887 ( -6.005 0.000 -2.191) 6.392 4.920 ( -7.293 0.000 2.207) 7.619 4.968 ( -10.706 0.000 1.130) 10.766 5.076 ( -4.742 0.000 -1.263) 4.907 5.112 ( -1.434 0.000 -3.414) 3.703 5.268 ( 11.267 -0.000 -5.648) 12.603 5.403 ( -11.438 0.000 13.228) 17.487 5.434 ( 2.326 -0.000 3.827) 4.478 5.766 ( 0.826 -0.000 -11.630) 11.659 6.053 ( 0.319 -0.000 3.530) 3.544 6.159 ( -6.689 0.000 5.312) 8.542 6.174 ( 10.729 -0.000 -4.070) 11.476 6.350 ( -2.324 0.000 0.633) 2.409 6.839 ( 6.690 -0.000 -1.928) 6.962 7.070 ( 7.053 -0.000 2.660) 7.538 7.125 ( -1.492 0.000 -0.064) 1.494 7.191 ( 2.172 -0.000 0.412) 2.210 7.507 ( 4.184 -0.000 -1.897) 4.594 7.686 ( -0.572 0.000 -4.941) 4.974 7.879 ( -4.186 0.000 0.867) 4.275 8.157 ( 0.613 -0.000 5.020) 5.057 8.162 ( 7.443 -0.000 -2.515) 7.857 8.331 ( -10.977 0.000 -3.145) 11.419 8.528 ( 0.770 -0.000 -7.142) 7.184 8.528 ( -10.730 0.000 10.443) 14.973 8.938 ( 2.664 -0.000 -4.168) 4.946 8.989 ( -6.682 0.000 2.306) 7.069 9.476 ( 1.841 -0.000 3.930) 4.340 9.782 ( -13.494 0.000 1.974) 13.638 9.816 ( 1.121 -0.000 1.574) 1.933 10.006 ( 10.754 -0.000 -6.505) 12.569 10.260 ( 0.989 -0.000 5.809) 5.893 10.338 ( 5.598 -0.000 -8.491) 10.170 10.578 ( 5.746 -0.000 -3.338) 6.645 10.582 ( -3.563 0.000 5.570) 6.612 11.090 ( 2.388 -0.000 3.206) 3.998 11.167 ( 3.998 -0.000 0.592) 4.042 11.370 ( 13.521 -0.000 0.593) 13.534 11.586 ( -2.588 0.000 -4.357) 5.068 11.604 ( 4.811 -0.000 0.939) 4.902 11.782 ( -0.421 0.000 1.597) 1.652 12.034 ( -0.180 0.000 0.585) 0.612 12.114 ( -0.966 0.000 -0.766) 1.233 12.783 ( -3.359 0.000 0.575) 3.408 12.817 ( -2.019 0.000 -0.590) 2.104 13.390 ( 8.852 -0.000 -2.685) 9.250 13.423 ( 7.208 -0.000 3.821) 8.158 13.695 ( -4.944 0.000 -0.596) 4.979 13.724 ( -3.465 0.000 -0.500) 3.501 15.819 ( -6.665 0.000 2.020) 6.964 16.032 ( -15.571 0.000 -0.909) 15.597 17.772 ( 7.526 -0.000 -0.926) 7.583 17.802 ( 6.977 -0.000 1.047) 7.055 18.424 ( 6.200 -0.000 -3.469) 7.105 18.432 ( 6.171 -0.000 4.479) 7.625 18.762 ( -9.766 0.000 -2.341) 10.043 18.782 ( -9.723 0.000 1.709) 9.872 19.826 ( -0.750 0.000 2.406) 2.520 19.919 ( -4.832 0.000 -0.546) 4.863 20.377 ( -2.662 0.000 6.852) 7.350 20.690 ( 8.199 -0.000 -16.864) 18.751 21.045 ( 3.796 -0.000 10.311) 10.987 21.257 ( 12.925 -0.000 -9.165) 15.845 21.970 ( -0.045 0.000 8.250) 8.250 22.132 ( 6.273 -0.000 -4.036) 7.460 22.192 ( -6.868 0.000 9.984) 12.118 22.477 ( 2.684 -0.000 2.060) 3.384 22.479 ( 2.323 -0.000 0.925) 2.501 22.543 ( -3.573 0.000 -10.182) 10.791 22.796 ( -5.621 0.000 -0.370) 5.633 22.816 ( -6.274 0.000 1.060) 6.363 ======================= Grid point 179 (76/102) ======================= q-point: ( 0.45 0.36 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.436 ( 6.691 -3.888 3.919) 8.674 1.519 ( 6.664 -6.478 -0.751) 9.324 1.656 ( 12.328 4.203 1.678) 13.133 1.837 ( 12.439 3.298 -5.633) 14.048 2.140 ( -0.308 1.859 2.746) 3.331 2.174 ( -0.801 3.273 -0.583) 3.420 2.412 ( 2.051 -1.118 -1.775) 2.934 2.448 ( -14.103 -9.231 4.445) 17.432 2.538 ( 1.557 -3.164 -1.738) 3.931 2.591 ( -0.794 -4.118 -3.354) 5.370 2.748 ( 9.816 -3.859 -1.810) 10.701 2.971 ( 9.666 -3.852 -0.949) 10.449 3.029 ( 4.372 1.737 -1.764) 5.024 3.097 ( -3.633 -1.112 3.223) 4.982 3.121 ( -4.553 -1.320 3.183) 5.710 3.243 ( 2.078 1.131 -2.205) 3.234 3.396 ( -0.956 2.589 2.297) 3.590 3.449 ( -1.249 1.194 2.484) 3.025 3.532 ( 1.084 0.121 -6.645) 6.734 3.624 ( -4.910 1.934 1.350) 5.447 3.689 ( 5.078 2.453 -0.009) 5.640 3.816 ( -6.331 0.417 1.204) 6.458 3.918 ( 6.717 1.524 2.673) 7.388 3.990 ( 7.997 0.121 -2.107) 8.271 4.152 ( 0.022 5.924 3.490) 6.876 4.250 ( -2.311 5.542 -0.472) 6.023 4.355 ( -3.000 1.861 -1.627) 3.887 4.450 ( -0.328 -0.535 0.575) 0.851 4.535 ( -0.269 0.004 0.943) 0.980 4.610 ( -4.105 0.174 -4.557) 6.136 4.739 ( -3.551 0.359 -0.321) 3.583 4.834 ( -13.514 -3.113 0.464) 13.876 4.887 ( -0.593 -0.661 -0.127) 0.897 4.994 ( -5.455 -1.474 -1.450) 5.833 5.062 ( -0.865 -3.626 -0.207) 3.733 5.152 ( -5.292 -2.989 0.773) 6.126 5.260 ( 2.194 2.356 2.741) 4.228 5.390 ( -2.652 -3.551 0.896) 4.522 5.493 ( 6.294 -3.394 3.322) 7.885 5.804 ( -2.661 -4.605 -7.835) 9.470 6.020 ( 3.267 3.311 1.872) 5.014 6.131 ( -4.598 -0.858 2.296) 5.211 6.284 ( 5.645 -3.416 0.478) 6.616 6.384 ( 0.208 -5.252 -0.342) 5.267 6.874 ( 6.241 1.259 -0.921) 6.433 7.077 ( -1.645 1.904 -0.201) 2.525 7.125 ( 6.154 1.069 0.791) 6.296 7.225 ( -1.197 -2.121 1.197) 2.713 7.515 ( 2.952 1.958 -1.593) 3.884 7.660 ( -2.988 1.013 -4.341) 5.366 7.852 ( -1.463 1.335 3.077) 3.659 8.136 ( 2.012 3.146 3.361) 5.025 8.203 ( 1.836 0.670 -5.233) 5.586 8.221 ( -8.589 3.182 -0.234) 9.163 8.451 ( -3.153 2.410 3.419) 5.238 8.514 ( -1.751 0.362 -1.591) 2.393 8.923 ( -1.327 1.018 -0.067) 1.673 8.961 ( -2.567 -0.131 -1.119) 2.803 9.482 ( 2.819 2.736 0.386) 3.948 9.639 ( -10.302 5.506 2.885) 12.032 9.795 ( -0.329 3.666 6.882) 7.805 10.034 ( 9.831 2.486 -9.430) 13.848 10.264 ( -0.018 0.502 4.719) 4.746 10.364 ( 2.350 -0.195 -4.145) 4.769 10.565 ( 3.482 -0.078 -0.720) 3.557 10.630 ( 0.264 -1.449 0.373) 1.519 11.067 ( 2.548 4.102 2.612) 5.490 11.166 ( 0.752 3.069 -0.057) 3.160 11.487 ( 10.046 -2.609 -0.496) 10.391 11.604 ( 2.519 -2.184 -1.781) 3.780 11.672 ( 1.007 -3.263 1.033) 3.568 11.762 ( -1.069 0.171 0.456) 1.174 12.032 ( 1.937 0.943 -0.002) 2.154 12.113 ( -2.200 -0.691 -0.050) 2.306 12.778 ( -2.113 -2.023 0.981) 3.085 12.832 ( -1.817 -3.235 -0.887) 3.815 13.290 ( 8.399 13.357 0.694) 15.794 13.450 ( 7.954 11.248 0.467) 13.785 13.564 ( -6.393 3.112 -0.814) 7.156 13.679 ( -5.097 3.511 -0.600) 6.218 15.791 ( -4.736 -1.340 2.164) 5.377 15.937 ( -10.567 -0.697 -1.605) 10.710 17.741 ( 7.458 6.598 -0.121) 9.958 17.840 ( 1.614 1.374 0.108) 2.123 18.329 ( 13.342 5.050 0.154) 14.266 18.626 ( -3.457 0.322 1.070) 3.633 18.710 ( -6.530 -3.877 -0.521) 7.612 18.797 ( -8.197 -11.391 -0.646) 14.049 19.687 ( -2.327 12.377 2.709) 12.882 19.792 ( -2.487 9.502 -2.413) 10.114 20.245 ( 0.425 13.607 9.158) 16.407 20.602 ( 5.864 11.552 -13.899) 19.000 21.186 ( 1.093 -9.646 8.574) 12.952 21.380 ( 9.599 -5.700 -9.331) 14.550 21.978 ( 2.208 0.905 7.637) 8.001 22.128 ( 0.461 -0.579 4.383) 4.445 22.276 ( 0.478 -3.707 -3.683) 5.247 22.351 ( -2.774 4.370 -3.211) 6.091 22.570 ( 1.882 -6.257 2.743) 7.087 22.664 ( -1.304 -8.526 -0.473) 8.638 22.771 ( -4.236 -2.541 -1.040) 5.048 22.826 ( -5.353 -5.454 -0.524) 7.660 ======================= Grid point 180 (77/102) ======================= q-point: ( 0.55 0.36 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.500 ( -4.958 0.240 10.518) 11.630 1.630 ( 0.279 -1.448 3.554) 3.848 1.736 ( 10.170 -7.584 -8.474) 15.256 1.810 ( 8.081 3.220 -9.541) 12.912 2.130 ( 1.248 0.046 5.481) 5.622 2.216 ( 4.761 -2.632 -3.222) 6.322 2.458 ( 3.050 -2.067 -0.549) 3.725 2.494 ( -9.928 -5.657 2.492) 11.696 2.599 ( -3.705 -4.667 2.237) 6.365 2.658 ( -0.406 -4.772 -5.072) 6.976 2.900 ( 7.208 -0.283 0.204) 7.216 2.959 ( -2.205 0.927 2.452) 3.425 3.090 ( -0.477 -1.008 1.813) 2.129 3.114 ( 2.521 -3.390 -0.926) 4.324 3.145 ( -2.927 -2.858 2.699) 4.901 3.227 ( 0.165 1.184 -3.827) 4.009 3.374 ( 1.585 -1.965 2.852) 3.809 3.447 ( 4.679 1.584 2.552) 5.560 3.518 ( 0.700 0.499 -5.030) 5.102 3.563 ( -1.508 0.814 -2.857) 3.331 3.667 ( -3.669 2.914 4.504) 6.499 3.745 ( -0.443 1.381 -2.987) 3.320 3.919 ( 4.122 5.982 2.923) 7.831 3.986 ( -1.013 4.530 3.519) 5.825 4.091 ( -0.046 1.770 -2.388) 2.973 4.150 ( 4.355 4.675 -3.939) 7.506 4.284 ( -0.104 3.136 1.387) 3.431 4.432 ( -5.669 0.565 -0.534) 5.722 4.486 ( 0.314 3.680 -0.394) 3.714 4.547 ( -4.675 1.749 -2.565) 5.612 4.792 ( -0.030 -5.888 1.240) 6.017 4.872 ( -3.052 -8.398 -0.511) 8.950 4.898 ( -3.052 0.247 3.452) 4.614 4.980 ( 0.262 -2.776 -1.808) 3.323 5.071 ( -4.782 1.453 5.283) 7.273 5.155 ( 2.986 -1.840 -5.597) 6.605 5.356 ( 0.825 -6.914 1.930) 7.226 5.444 ( -5.561 -6.267 1.946) 8.601 5.633 ( 9.375 -3.885 -0.582) 10.165 5.821 ( -5.520 -2.507 -4.527) 7.566 6.008 ( 2.323 1.422 4.365) 5.145 6.128 ( -1.750 -1.424 -2.720) 3.535 6.384 ( 1.857 -4.262 4.842) 6.712 6.502 ( 2.150 -6.218 -3.559) 7.480 6.879 ( 4.432 2.564 0.439) 5.139 7.012 ( -2.934 3.043 -3.588) 5.545 7.150 ( 5.021 1.336 3.585) 6.312 7.249 ( -2.841 -2.245 0.349) 3.638 7.460 ( 0.491 6.045 1.388) 6.222 7.568 ( -2.230 6.187 -4.376) 7.900 7.818 ( 1.033 3.172 4.018) 5.222 8.041 ( -4.502 6.517 -6.775) 10.423 8.090 ( -2.844 4.899 6.222) 8.414 8.198 ( 3.319 1.907 -5.891) 7.026 8.433 ( 1.873 -0.498 1.967) 2.762 8.508 ( -5.050 -2.721 1.414) 5.909 8.910 ( -2.707 -0.217 1.272) 2.999 8.941 ( 2.171 0.532 -2.784) 3.570 9.372 ( 0.492 10.717 2.696) 11.062 9.467 ( -3.503 8.450 -2.020) 9.368 9.766 ( 0.940 0.923 9.940) 10.027 10.025 ( 4.016 2.244 -8.934) 10.049 10.282 ( 1.057 -1.064 2.872) 3.240 10.368 ( 0.376 -0.542 -2.641) 2.722 10.609 ( -0.785 -2.331 1.851) 3.078 10.652 ( 3.168 -0.812 -2.720) 4.254 11.009 ( 1.296 4.251 2.286) 4.998 11.085 ( -1.433 4.893 -0.917) 5.181 11.558 ( 3.945 1.601 -0.242) 4.264 11.649 ( -1.401 1.494 -1.584) 2.589 11.698 ( 6.013 -1.734 2.155) 6.619 11.805 ( -0.250 -2.942 -0.234) 2.962 12.036 ( 3.977 0.973 -0.446) 4.118 12.093 ( -4.703 0.166 0.472) 4.729 12.831 ( -0.175 -4.260 1.530) 4.530 12.892 ( -1.275 -4.241 -1.434) 4.655 13.066 ( 5.654 16.951 1.892) 17.969 13.165 ( 1.857 19.798 -1.990) 19.985 13.499 ( -2.518 3.521 1.558) 4.601 13.565 ( -2.910 4.286 -1.903) 5.519 15.806 ( -1.781 -2.256 2.281) 3.670 15.895 ( -4.988 -1.359 -1.979) 5.536 17.694 ( 7.305 4.323 -0.025) 8.488 17.785 ( -4.436 2.852 -0.066) 5.274 18.352 ( 10.367 4.616 1.674) 11.471 18.520 ( -5.628 4.892 -2.291) 7.801 18.759 ( 1.791 -2.883 3.454) 4.843 18.951 ( -8.228 -10.674 -3.822) 14.009 19.483 ( -1.819 7.423 2.988) 8.206 19.577 ( -1.787 10.169 -3.999) 11.073 19.996 ( 2.850 17.229 11.358) 20.832 20.327 ( 2.372 18.842 -10.697) 21.797 21.390 ( -0.648 -10.377 6.312) 12.163 21.535 ( 6.691 -6.292 -7.487) 11.850 21.984 ( 2.040 1.957 4.612) 5.410 22.151 ( -2.277 2.402 -2.325) 4.045 22.203 ( -1.641 1.433 5.769) 6.166 22.383 ( 2.205 -2.894 -8.944) 9.655 22.700 ( -0.098 -6.462 5.644) 8.580 22.808 ( -4.748 -9.147 3.501) 10.884 22.828 ( 1.960 -6.084 -2.839) 6.994 22.918 ( -3.368 -8.140 -2.489) 9.154 ======================= Grid point 181 (78/102) ======================= q-point: (-0.36 -0.64 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.481 ( -3.515 -1.770 5.873) 7.070 1.660 ( 2.784 0.295 -4.739) 5.504 1.804 ( -3.842 -5.244 0.597) 6.528 1.962 ( 7.920 -7.314 -7.610) 13.196 2.164 ( -1.166 -1.602 5.465) 5.813 2.277 ( 5.370 -2.584 -4.516) 7.477 2.478 ( -10.962 -4.535 5.073) 12.903 2.559 ( 4.893 -0.241 -0.812) 4.966 2.653 ( -0.578 -0.729 1.325) 1.619 2.681 ( -6.641 0.024 0.750) 6.684 2.838 ( 1.038 -0.116 3.752) 3.895 2.984 ( 2.947 2.910 -4.700) 6.265 3.130 ( 3.590 -1.886 0.751) 4.124 3.171 ( -5.231 -2.562 0.074) 5.825 3.176 ( -0.649 -2.109 1.608) 2.730 3.215 ( 1.686 -1.083 -3.080) 3.674 3.421 ( 5.869 2.591 2.174) 6.774 3.482 ( -3.361 0.878 -1.874) 3.947 3.502 ( 2.529 -0.920 -0.114) 2.693 3.574 ( 2.445 -2.454 -3.613) 5.006 3.613 ( -4.875 -0.419 3.664) 6.113 3.713 ( 2.008 2.493 -3.813) 4.979 3.842 ( -3.890 1.408 4.330) 5.989 3.897 ( 3.597 4.130 1.150) 5.596 4.007 ( -5.178 2.967 1.504) 6.155 4.112 ( 3.052 2.561 -5.626) 6.893 4.292 ( 0.019 2.146 2.628) 3.393 4.347 ( 2.781 1.533 -2.754) 4.203 4.449 ( -3.174 -0.558 2.310) 3.965 4.516 ( 1.894 -0.061 -3.372) 3.868 4.866 ( -2.716 -0.752 5.132) 5.855 4.894 ( -5.268 -4.734 3.434) 7.871 5.046 ( -1.001 -2.613 1.531) 3.190 5.068 ( 3.523 -6.744 -2.214) 7.924 5.073 ( 4.393 -7.022 -0.606) 8.305 5.166 ( 1.682 0.079 -5.423) 5.679 5.471 ( 0.064 -4.307 2.979) 5.237 5.526 ( -4.384 -5.722 0.017) 7.209 5.733 ( 7.544 0.004 0.261) 7.548 5.807 ( -6.565 -2.259 -3.810) 7.919 6.019 ( 0.053 -0.392 6.109) 6.122 6.145 ( 0.754 -1.725 -5.452) 5.768 6.463 ( 0.113 -1.981 6.663) 6.952 6.599 ( 1.187 -3.830 -5.031) 6.433 6.858 ( 2.706 2.531 0.810) 3.793 6.911 ( -3.622 4.321 -3.843) 6.824 7.154 ( 0.723 3.414 6.168) 7.086 7.258 ( -2.798 -0.263 -2.571) 3.809 7.315 ( 1.073 9.474 3.811) 10.268 7.405 ( 1.055 9.618 -4.062) 10.494 7.778 ( 1.135 2.650 2.824) 4.036 7.882 ( -2.835 5.440 -5.344) 8.136 8.015 ( 1.047 4.049 4.801) 6.367 8.164 ( 2.730 1.900 -8.607) 9.227 8.486 ( 3.094 -1.117 3.403) 4.733 8.516 ( -5.707 -1.490 1.567) 6.102 8.879 ( -4.248 0.546 3.517) 5.541 8.982 ( 5.338 -1.635 -5.117) 7.573 9.203 ( 0.110 7.428 4.679) 8.780 9.282 ( -1.450 8.466 -1.935) 8.805 9.793 ( 1.124 0.107 7.020) 7.110 9.973 ( 0.278 3.412 -7.534) 8.276 10.308 ( -1.936 -0.862 3.425) 4.028 10.399 ( 3.708 -2.560 -4.775) 6.565 10.621 ( -6.837 -2.523 4.094) 8.359 10.711 ( 5.764 -1.793 -4.096) 7.295 10.951 ( -1.371 2.858 2.157) 3.835 10.989 ( -0.057 4.053 -1.000) 4.175 11.493 ( 0.402 7.297 3.036) 7.914 11.571 ( -0.644 5.031 -3.704) 6.281 11.763 ( 3.182 1.377 2.654) 4.367 11.810 ( -2.479 0.939 -1.538) 3.065 12.029 ( -4.042 1.669 1.140) 4.519 12.055 ( 3.803 1.965 -1.049) 4.407 12.775 ( -0.538 13.824 1.026) 13.873 12.801 ( 0.607 14.600 -1.220) 14.664 12.946 ( 0.424 -5.137 3.223) 6.079 13.019 ( -0.803 -5.245 -2.917) 6.056 13.413 ( 0.286 4.985 2.468) 5.570 13.477 ( -0.069 4.216 -2.891) 5.112 15.848 ( 0.527 -2.323 2.098) 3.174 15.896 ( -0.412 -1.200 -1.879) 2.267 17.695 ( 1.619 1.147 0.391) 2.022 17.705 ( -1.647 0.986 -0.460) 1.974 18.296 ( -3.525 4.667 3.927) 7.045 18.403 ( 4.547 5.864 -5.310) 9.125 18.803 ( -1.048 1.248 8.415) 8.572 19.016 ( -0.237 -1.266 -10.630) 10.707 19.425 ( -3.493 -1.795 3.299) 5.129 19.472 ( 2.417 -0.460 -1.511) 2.887 19.740 ( 2.174 15.746 9.979) 18.769 19.957 ( -0.628 19.953 -8.457) 21.680 21.552 ( -3.183 -7.530 4.104) 9.147 21.647 ( 3.704 -2.576 -3.076) 5.461 21.958 ( -1.939 1.115 0.861) 2.397 22.046 ( 3.302 5.587 -5.126) 8.270 22.229 ( -3.829 -2.507 8.435) 9.596 22.403 ( 1.628 0.070 -6.852) 7.043 22.816 ( 0.073 -5.333 4.178) 6.775 22.915 ( 1.148 -4.417 -2.509) 5.208 22.985 ( -1.237 -9.399 2.397) 9.778 23.051 ( 0.118 -8.788 -1.904) 8.993 ======================= Grid point 182 (79/102) ======================= q-point: (-0.27 -0.64 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.545 ( 0.893 -5.005 -0.723) 5.135 1.670 ( 4.970 -0.526 -8.215) 9.616 1.863 ( -8.714 -3.926 4.521) 10.573 2.071 ( 5.179 -0.772 -1.757) 5.523 2.170 ( -8.348 -2.299 7.487) 11.447 2.378 ( 1.362 -0.631 -0.419) 1.559 2.478 ( -0.408 3.143 -0.462) 3.203 2.543 ( -6.048 -4.714 2.728) 8.139 2.575 ( -0.606 1.851 -0.344) 1.978 2.675 ( 2.411 2.460 1.251) 3.665 2.920 ( -1.882 -1.026 -2.767) 3.500 2.961 ( 7.815 -3.105 -2.192) 8.690 3.116 ( -3.624 2.587 1.917) 4.847 3.157 ( -4.492 -0.724 -1.026) 4.664 3.221 ( -0.190 0.632 0.097) 0.667 3.266 ( 5.212 -3.509 -0.520) 6.304 3.392 ( 1.961 7.409 -1.413) 7.793 3.395 ( 4.154 6.568 0.685) 7.801 3.474 ( -2.000 -2.060 -1.016) 3.046 3.598 ( -0.575 0.285 -4.057) 4.107 3.638 ( -4.723 -3.620 1.972) 6.269 3.742 ( 3.181 -2.659 -0.028) 4.147 3.843 ( -4.391 -2.258 1.388) 5.129 3.883 ( 2.384 0.672 4.059) 4.755 3.997 ( -2.175 -4.003 -2.010) 4.979 4.097 ( 7.158 1.536 -2.475) 7.728 4.206 ( -4.163 1.928 3.374) 5.695 4.420 ( 11.027 -1.022 -5.754) 12.480 4.474 ( -2.416 -4.050 3.026) 5.604 4.546 ( 2.715 -1.359 0.255) 3.047 4.856 ( -7.345 -1.456 3.519) 8.274 4.946 ( 1.390 -2.044 0.449) 2.513 5.078 ( -1.203 -1.386 1.575) 2.418 5.135 ( -1.344 -1.066 -2.771) 3.258 5.185 ( 1.448 -6.881 0.993) 7.102 5.309 ( 8.158 -7.783 -4.598) 12.177 5.501 ( -3.559 0.354 3.034) 4.690 5.557 ( -1.761 -0.135 -1.488) 2.309 5.760 ( 3.789 1.292 3.696) 5.449 5.797 ( -3.855 -2.078 -3.571) 5.651 6.028 ( -6.047 -1.101 3.412) 7.030 6.176 ( 3.448 -1.390 -3.376) 5.022 6.498 ( 1.935 -0.104 6.088) 6.389 6.595 ( 0.995 5.177 -6.912) 8.693 6.771 ( -3.653 5.577 2.402) 7.087 6.880 ( 3.622 -0.334 -3.727) 5.207 6.999 ( -6.944 9.153 5.417) 12.702 7.156 ( 2.329 8.533 0.190) 8.847 7.248 ( 3.975 5.769 2.105) 7.315 7.281 ( -0.355 2.480 -4.429) 5.089 7.756 ( -1.106 0.092 -0.714) 1.320 7.819 ( 2.843 0.467 -0.437) 2.914 7.980 ( 2.379 2.658 4.113) 5.445 8.149 ( 4.854 0.821 -10.090) 11.227 8.432 ( -3.323 5.833 3.625) 7.629 8.537 ( 2.934 -0.293 0.290) 2.962 8.857 ( -5.958 -1.488 4.391) 7.549 9.006 ( 0.569 0.297 -2.014) 2.113 9.128 ( -6.170 0.927 1.790) 6.491 9.228 ( 5.733 -1.942 1.002) 6.136 9.777 ( -1.605 3.174 3.620) 5.075 9.879 ( -0.441 5.067 -7.244) 8.851 10.304 ( -4.928 -0.916 3.552) 6.143 10.484 ( 6.985 -3.343 -5.547) 9.526 10.643 ( -3.856 -3.718 3.706) 6.513 10.751 ( 1.461 0.029 -1.938) 2.427 10.887 ( -4.679 1.472 0.770) 4.965 10.970 ( 5.428 0.614 -0.075) 5.463 11.345 ( -1.626 8.791 4.568) 10.040 11.445 ( -0.638 7.457 -4.590) 8.779 11.677 ( -5.924 6.429 2.233) 9.023 11.720 ( -3.681 6.606 -1.522) 7.714 11.979 ( -1.246 0.903 -0.213) 1.554 12.049 ( 4.675 2.260 0.210) 5.196 12.576 ( -2.740 6.418 0.055) 6.979 12.597 ( -0.623 7.935 -0.043) 7.960 13.067 ( 0.264 -5.947 2.805) 6.581 13.107 ( -0.950 -5.441 -2.289) 5.979 13.336 ( 0.058 4.797 2.197) 5.277 13.418 ( 4.003 2.318 -2.882) 5.450 15.899 ( 2.362 -1.470 1.681) 3.251 15.914 ( 1.233 -0.848 -1.492) 2.113 17.656 ( -6.484 -1.662 -0.082) 6.694 17.757 ( 7.201 -1.641 0.152) 7.388 18.202 ( -6.210 1.466 1.347) 6.521 18.352 ( 6.776 3.807 -3.063) 8.354 18.728 ( -7.691 4.632 7.200) 11.509 18.966 ( 4.475 5.057 -8.534) 10.882 19.411 ( -6.945 5.011 5.698) 10.287 19.541 ( -2.823 -1.331 -0.626) 3.183 19.601 ( 3.185 12.053 0.506) 12.477 19.650 ( 9.367 -1.491 -2.676) 9.855 21.557 ( -12.029 2.066 1.342) 12.278 21.703 ( 4.860 -1.338 1.464) 5.249 21.954 ( 1.741 0.148 -2.107) 2.737 22.002 ( 3.131 -0.188 -4.081) 5.147 22.262 ( -2.211 -1.423 7.213) 7.677 22.384 ( 0.006 0.932 -4.604) 4.698 22.912 ( 0.262 -4.396 2.414) 5.022 22.960 ( 0.331 -0.834 -1.804) 2.015 23.137 ( 0.123 -7.154 2.200) 7.486 23.206 ( 2.116 -7.501 -1.924) 8.028 ======================= Grid point 183 (80/102) ======================= q-point: (-0.18 -0.64 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.616 ( 1.569 0.077 2.231) 2.729 1.730 ( 5.436 -4.353 -11.697) 13.613 1.795 ( -6.816 5.641 2.906) 9.312 2.046 ( 3.974 7.766 -0.656) 8.749 2.164 ( -9.974 -0.513 12.644) 16.113 2.301 ( -2.763 0.308 -0.262) 2.792 2.380 ( 0.152 7.480 -1.301) 7.594 2.602 ( 4.654 -1.129 -2.837) 5.567 2.608 ( -0.149 -1.697 -0.914) 1.934 2.710 ( 4.846 -3.168 0.749) 5.838 2.912 ( -3.430 -1.848 -0.448) 3.921 3.013 ( 0.522 4.444 1.715) 4.792 3.066 ( -0.624 0.368 -0.430) 0.842 3.150 ( 1.096 -0.372 -1.299) 1.740 3.207 ( -0.909 -0.307 1.152) 1.500 3.258 ( -3.098 1.232 -0.559) 3.381 3.322 ( 2.564 5.454 -1.296) 6.164 3.387 ( 8.189 -3.143 -1.922) 8.980 3.498 ( -2.616 -1.750 2.267) 3.879 3.610 ( -1.026 -0.439 -3.739) 3.902 3.658 ( -2.089 -1.683 2.614) 3.745 3.736 ( -2.657 0.628 -1.475) 3.103 3.838 ( -3.443 -0.478 1.540) 3.802 3.955 ( 3.994 -4.060 0.953) 5.775 4.034 ( 1.781 -0.017 -2.891) 3.396 4.149 ( 4.995 -1.971 -0.502) 5.393 4.189 ( -1.079 -0.048 3.102) 3.285 4.497 ( 8.530 0.317 -6.056) 10.466 4.568 ( -0.188 -6.656 2.545) 7.129 4.599 ( 1.547 -2.764 4.064) 5.153 4.824 ( -6.862 -0.693 0.369) 6.907 4.991 ( 3.265 -0.905 -1.925) 3.897 5.083 ( -2.601 -0.982 1.331) 3.082 5.159 ( 0.126 -2.105 -0.848) 2.273 5.331 ( -0.211 -6.838 2.540) 7.298 5.429 ( -1.935 0.186 -2.899) 3.490 5.452 ( 0.178 -2.039 -0.010) 2.047 5.509 ( 0.391 3.691 -1.182) 3.895 5.760 ( 2.114 2.651 2.976) 4.512 5.807 ( -0.549 -1.007 -1.669) 2.025 6.000 ( -8.037 -2.432 1.994) 8.630 6.233 ( 3.275 -1.826 1.449) 4.020 6.414 ( 0.799 10.741 -4.409) 11.638 6.522 ( 4.084 2.443 1.503) 4.991 6.697 ( -0.854 1.821 3.141) 3.730 6.730 ( 2.202 13.358 -1.880) 13.668 6.971 ( -1.863 -2.103 -1.602) 3.234 7.050 ( 0.916 3.188 1.547) 3.660 7.190 ( 3.091 2.831 2.013) 4.650 7.228 ( 3.655 3.905 -3.102) 6.183 7.769 ( 1.294 -1.720 -1.666) 2.722 7.881 ( 3.770 -3.833 1.805) 5.671 7.964 ( 3.463 2.589 1.534) 4.587 8.144 ( 2.980 1.545 -7.763) 8.458 8.310 ( -4.337 4.440 5.979) 8.617 8.564 ( 5.203 -0.166 -5.195) 7.354 8.856 ( -9.823 -3.523 5.155) 11.639 9.008 ( -2.606 -1.846 0.208) 3.201 9.108 ( -5.557 -3.038 1.649) 6.545 9.332 ( 3.101 -3.696 3.520) 5.972 9.685 ( -4.067 4.604 1.072) 6.236 9.767 ( 0.350 5.066 -8.046) 9.514 10.284 ( -5.853 -0.565 2.197) 6.277 10.586 ( 8.021 -2.303 -3.097) 8.901 10.694 ( 2.112 -0.498 3.479) 4.101 10.730 ( -0.174 1.705 -1.681) 2.400 10.861 ( -3.117 -2.573 0.078) 4.042 11.015 ( 6.189 0.250 0.518) 6.216 11.204 ( -1.877 5.881 4.287) 7.516 11.303 ( -1.069 5.300 -4.891) 7.291 11.507 ( -9.862 5.474 0.508) 11.291 11.559 ( -4.652 6.407 0.387) 7.928 11.968 ( 0.453 -0.002 -0.715) 0.846 12.052 ( 2.869 0.525 0.692) 2.997 12.481 ( -1.656 3.563 0.122) 3.931 12.497 ( -1.499 2.585 -0.118) 2.990 13.118 ( -0.786 -0.243 -0.163) 0.838 13.189 ( 3.217 0.310 -0.297) 3.245 13.278 ( -3.905 -2.594 2.021) 5.105 13.452 ( 4.838 -2.621 -1.682) 5.753 15.922 ( 2.191 0.684 2.308) 3.255 15.954 ( 2.026 -2.192 -2.174) 3.693 17.653 ( -5.556 -2.424 -0.156) 6.064 17.864 ( 8.045 -3.784 0.840) 8.931 18.161 ( -4.056 -0.700 -1.525) 4.390 18.336 ( 4.804 3.492 -1.505) 6.127 18.591 ( -9.444 3.878 5.682) 11.684 18.893 ( 4.561 4.139 -5.230) 8.080 19.241 ( -5.725 6.630 2.803) 9.197 19.398 ( 0.750 7.440 -0.722) 7.512 19.591 ( -3.819 -5.303 -0.397) 6.547 19.880 ( 13.728 -8.315 0.202) 16.051 21.379 ( -13.990 6.014 0.627) 15.241 21.733 ( 7.229 3.557 0.028) 8.057 21.963 ( -0.651 -2.000 0.429) 2.146 22.066 ( 2.814 -3.499 -3.538) 5.716 22.256 ( -2.333 2.039 5.567) 6.371 22.374 ( 1.034 -0.901 -4.178) 4.397 22.947 ( -0.230 1.637 1.136) 2.006 22.988 ( -0.083 -3.185 0.181) 3.191 23.244 ( -0.016 -4.337 1.731) 4.669 23.328 ( 1.513 -4.946 -1.997) 5.544 ======================= Grid point 185 (81/102) ======================= q-point: (-0.09 0.36 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.532 ( -4.314 9.244 7.590) 12.715 1.624 ( -0.030 10.091 1.453) 10.195 1.810 ( 2.978 0.010 -8.476) 8.984 1.892 ( 8.458 10.078 -0.680) 13.175 2.128 ( 2.008 1.195 1.782) 2.939 2.273 ( 3.316 2.404 -1.252) 4.283 2.353 ( -2.608 -2.821 -1.546) 4.142 2.595 ( 4.931 4.471 -0.954) 6.724 2.618 ( 2.030 0.473 1.020) 2.321 2.774 ( 3.382 3.599 0.905) 5.021 2.855 ( -4.364 4.683 6.075) 8.825 2.969 ( -2.535 -0.952 -0.157) 2.712 3.053 ( 4.610 -0.086 -1.566) 4.870 3.119 ( -3.991 3.580 -4.578) 7.050 3.225 ( 0.413 -1.660 -2.534) 3.058 3.260 ( 1.815 -1.648 1.352) 2.799 3.325 ( -1.071 -4.137 1.673) 4.589 3.474 ( 1.861 2.348 -2.348) 3.806 3.508 ( -2.460 -3.214 2.738) 4.887 3.521 ( -1.812 3.790 1.069) 4.334 3.689 ( -0.073 -0.179 -0.443) 0.483 3.734 ( 0.098 -2.177 -3.676) 4.274 3.865 ( -4.002 -5.236 4.253) 7.843 3.991 ( 0.062 2.379 -1.220) 2.674 4.074 ( 5.913 -2.534 0.058) 6.434 4.173 ( -0.596 1.327 -0.239) 1.474 4.205 ( 1.485 -0.699 0.337) 1.676 4.495 ( -0.366 0.780 -2.093) 2.264 4.653 ( 5.115 -1.603 4.172) 6.792 4.708 ( -2.523 -3.673 -2.025) 4.895 4.804 ( 0.992 -1.621 0.318) 1.926 4.996 ( 0.529 1.508 -1.787) 2.397 5.097 ( -3.047 -2.753 0.730) 4.170 5.182 ( -3.137 -0.917 -0.271) 3.280 5.273 ( -8.631 3.335 0.735) 9.282 5.450 ( 2.190 3.336 0.437) 4.014 5.487 ( -0.284 -0.506 -3.296) 3.347 5.526 ( 1.540 -5.809 2.686) 6.582 5.723 ( 1.884 2.564 -0.353) 3.201 5.809 ( 3.088 0.947 -0.148) 3.233 6.005 ( -8.036 -3.771 1.975) 9.094 6.260 ( 0.151 0.522 1.472) 1.569 6.305 ( 7.799 3.931 -0.735) 8.765 6.462 ( 2.584 7.244 1.938) 7.932 6.536 ( 4.869 8.086 -4.091) 10.287 6.732 ( 5.584 -2.713 -0.052) 6.209 6.943 ( -0.182 3.247 3.032) 4.446 7.036 ( -0.744 -1.130 -3.831) 4.063 7.187 ( 6.085 2.122 1.258) 6.566 7.259 ( 6.423 -3.395 -0.374) 7.275 7.829 ( 5.233 -2.843 -0.149) 5.957 7.935 ( 1.351 2.704 -1.348) 3.309 8.001 ( 3.717 -5.454 0.494) 6.619 8.101 ( -1.629 1.582 -3.036) 3.791 8.261 ( -4.639 -0.675 6.724) 8.197 8.588 ( 4.364 0.288 -8.104) 9.209 8.859 ( -12.045 -4.808 5.680) 14.158 9.033 ( -2.852 -2.945 -0.166) 4.102 9.141 ( -5.285 -4.168 0.949) 6.798 9.399 ( -0.402 -1.791 7.087) 7.321 9.580 ( -4.738 3.273 -0.103) 5.760 9.696 ( 3.479 1.820 -9.232) 10.032 10.247 ( -4.715 0.557 1.458) 4.966 10.606 ( 3.200 5.639 1.775) 6.723 10.703 ( 5.566 1.765 1.886) 6.137 10.718 ( 2.440 -0.067 -4.500) 5.119 10.917 ( -1.045 -1.710 1.073) 2.273 11.040 ( 6.879 -0.209 -0.959) 6.949 11.154 ( -0.308 -0.142 2.274) 2.299 11.238 ( 0.239 1.384 -2.125) 2.547 11.363 ( -9.060 1.563 0.801) 9.228 11.469 ( -4.212 -0.434 0.051) 4.235 11.990 ( 0.355 -2.483 -0.875) 2.657 12.075 ( 1.705 -1.145 0.640) 2.151 12.420 ( -0.614 2.412 0.624) 2.565 12.458 ( -0.170 1.395 -0.479) 1.485 13.093 ( 1.225 2.906 1.108) 3.343 13.137 ( 0.923 4.281 -1.709) 4.701 13.372 ( -3.816 -7.985 1.182) 8.928 13.550 ( 1.897 -5.154 -0.678) 5.534 15.929 ( 1.301 0.515 2.628) 2.977 16.005 ( 2.313 -2.491 -2.568) 4.261 17.642 ( -5.608 -0.691 -0.406) 5.665 17.980 ( 3.743 -0.974 2.610) 4.666 18.162 ( 3.588 -1.139 -2.126) 4.323 18.249 ( 0.144 6.055 -3.069) 6.790 18.520 ( -7.222 -1.442 4.855) 8.821 18.918 ( 5.736 -4.516 -3.472) 8.084 19.129 ( -4.027 2.432 1.625) 4.977 19.343 ( 2.405 0.406 0.293) 2.456 19.655 ( -5.418 -5.913 -0.357) 8.028 20.108 ( 9.928 -6.401 0.068) 11.813 21.168 ( -10.591 6.778 0.033) 12.575 21.693 ( 8.088 6.833 -0.149) 10.590 22.012 ( -2.004 -3.913 0.511) 4.426 22.101 ( -0.095 1.824 -0.540) 1.905 22.217 ( -0.932 0.317 3.848) 3.972 22.403 ( 2.763 -1.585 -6.236) 7.003 22.904 ( -1.568 2.889 4.838) 5.849 23.028 ( -0.029 -1.490 -2.109) 2.583 23.300 ( -1.397 -2.014 1.806) 3.045 23.389 ( -0.948 -2.003 -2.033) 3.008 ======================= Grid point 192 (82/102) ======================= q-point: ( 0.45 0.45 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 102 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.462 ( 6.969 -0.000 -0.095) 6.970 1.500 ( 4.026 -0.000 -1.367) 4.252 1.807 ( 11.938 -0.000 2.718) 12.244 1.931 ( 2.576 -0.000 1.522) 2.992 2.143 ( -5.216 0.000 3.179) 6.108 2.219 ( -6.635 0.000 -3.243) 7.386 2.253 ( -0.240 0.000 3.307) 3.316 2.405 ( 4.598 -0.000 -5.141) 6.897 2.503 ( -6.035 0.000 2.514) 6.538 2.523 ( -0.881 0.000 -6.263) 6.325 2.811 ( 17.577 -0.000 -2.939) 17.821 2.976 ( -5.215 0.000 2.488) 5.778 3.034 ( -1.704 0.000 -0.436) 1.759 3.055 ( -3.080 0.000 0.551) 3.129 3.121 ( 4.607 -0.000 2.754) 5.368 3.257 ( -0.305 0.000 -2.961) 2.977 3.388 ( -12.261 0.000 10.715) 16.283 3.495 ( 8.574 -0.000 -2.277) 8.872 3.542 ( 9.149 -0.000 -11.868) 14.985 3.606 ( -6.295 0.000 1.887) 6.572 3.746 ( -2.340 0.000 2.803) 3.651 3.774 ( -2.513 0.000 0.072) 2.514 3.982 ( 7.358 -0.000 5.471) 9.169 4.069 ( 11.422 -0.000 -4.122) 12.143 4.225 ( -2.441 0.000 3.600) 4.350 4.271 ( -5.768 0.000 0.163) 5.770 4.344 ( -2.262 0.000 0.771) 2.390 4.453 ( -2.042 0.000 2.695) 3.381 4.546 ( 7.827 -0.000 -1.650) 7.999 4.577 ( -1.373 0.000 -5.373) 5.545 4.689 ( -13.034 0.000 1.092) 13.079 4.742 ( -4.281 0.000 -4.091) 5.921 4.893 ( 0.991 -0.000 0.302) 1.036 4.922 ( -0.284 0.000 -1.231) 1.263 5.020 ( -2.646 0.000 0.879) 2.789 5.074 ( -1.525 0.000 -2.446) 2.883 5.279 ( -11.348 0.000 12.997) 17.254 5.410 ( 11.892 -0.000 -9.290) 15.090 5.478 ( -0.826 0.000 8.031) 8.074 5.720 ( -1.651 0.000 -9.079) 9.228 6.089 ( 3.660 -0.000 0.064) 3.660 6.094 ( -3.721 0.000 3.976) 5.445 6.303 ( -5.588 0.000 3.619) 6.658 6.308 ( 8.443 -0.000 -4.180) 9.421 6.935 ( 6.488 -0.000 0.033) 6.488 7.072 ( -4.063 0.000 -1.811) 4.448 7.173 ( 4.195 -0.000 0.660) 4.247 7.201 ( -1.276 0.000 1.393) 1.889 7.554 ( 3.767 -0.000 -2.017) 4.273 7.633 ( -3.415 0.000 -3.368) 4.797 7.871 ( 1.871 -0.000 5.362) 5.679 8.161 ( -7.827 0.000 -7.182) 10.623 8.179 ( -1.005 0.000 5.059) 5.158 8.240 ( 3.415 -0.000 -1.042) 3.570 8.439 ( -6.688 0.000 7.001) 9.682 8.530 ( 3.830 -0.000 -6.523) 7.565 8.905 ( -5.819 0.000 4.181) 7.165 8.966 ( 3.993 -0.000 -5.281) 6.620 9.527 ( 4.157 -0.000 0.555) 4.194 9.609 ( -9.693 0.000 2.112) 9.921 9.849 ( 0.368 -0.000 8.019) 8.027 10.097 ( 5.133 -0.000 -9.402) 10.712 10.284 ( -1.427 0.000 4.743) 4.953 10.376 ( 3.644 -0.000 -5.851) 6.893 10.554 ( -3.417 0.000 5.784) 6.718 10.644 ( 5.064 -0.000 -5.027) 7.136 11.124 ( 0.109 -0.000 4.134) 4.136 11.202 ( 0.745 -0.000 -0.980) 1.231 11.548 ( 9.250 -0.000 -0.631) 9.271 11.573 ( 2.069 -0.000 -1.524) 2.570 11.655 ( 1.145 -0.000 1.359) 1.778 11.727 ( -5.791 0.000 -0.393) 5.804 12.057 ( 1.736 -0.000 0.643) 1.851 12.096 ( -0.932 0.000 -0.709) 1.171 12.746 ( -1.672 0.000 1.539) 2.273 12.790 ( -0.898 0.000 -1.351) 1.622 13.497 ( 0.969 -0.000 2.784) 2.948 13.504 ( 7.617 -0.000 -1.250) 7.719 13.625 ( -4.383 0.000 0.561) 4.419 13.675 ( -2.051 0.000 -2.321) 3.097 15.756 ( -2.380 0.000 2.702) 3.600 15.860 ( -6.349 0.000 -2.209) 6.723 17.853 ( 3.321 -0.000 0.205) 3.327 17.875 ( 2.372 -0.000 -0.239) 2.384 18.495 ( 4.801 -0.000 -1.162) 4.939 18.530 ( 4.452 -0.000 1.782) 4.795 18.625 ( -6.780 0.000 -0.525) 6.800 18.673 ( -5.464 0.000 0.108) 5.465 19.820 ( -0.994 0.000 2.240) 2.450 19.865 ( -1.788 0.000 -0.935) 2.018 20.379 ( -1.796 0.000 9.008) 9.185 20.706 ( 3.933 -0.000 -17.011) 17.460 21.114 ( -0.281 0.000 10.148) 10.152 21.369 ( 8.216 -0.000 -11.585) 14.202 22.004 ( -1.772 0.000 12.954) 13.075 22.156 ( -3.499 0.000 8.266) 8.976 22.191 ( 4.262 -0.000 -4.688) 6.336 22.428 ( -3.970 0.000 -8.652) 9.519 22.522 ( 1.479 -0.000 2.302) 2.736 22.555 ( 5.099 -0.000 -2.326) 5.605 22.730 ( -2.160 0.000 -0.612) 2.245 22.733 ( -5.157 0.000 1.238) 5.303 ======================= Grid point 193 (83/102) ======================= q-point: (-0.45 -0.55 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.465 ( -3.840 0.294 5.420) 6.649 1.610 ( 6.319 -5.608 -6.178) 10.466 1.741 ( -4.329 6.255 6.574) 10.054 1.930 ( 2.767 2.829 -7.057) 8.091 2.131 ( -1.449 -0.704 2.656) 3.107 2.207 ( 3.773 -1.393 -2.929) 4.975 2.300 ( -5.869 -4.221 5.773) 9.251 2.478 ( 6.831 -3.542 -6.938) 10.361 2.502 ( -1.587 -3.681 1.755) 4.376 2.551 ( -0.093 -4.201 -2.426) 4.852 2.897 ( -12.433 -0.023 1.773) 12.559 2.963 ( 16.647 -2.337 -3.964) 17.272 3.041 ( -5.881 -1.872 2.522) 6.667 3.071 ( 0.608 -2.309 -0.059) 2.388 3.139 ( 0.437 1.157 3.750) 3.949 3.223 ( -3.073 0.911 -2.032) 3.795 3.341 ( -7.136 -2.045 8.324) 11.153 3.517 ( 2.394 2.329 -0.811) 3.438 3.559 ( 3.988 1.824 -6.601) 7.925 3.579 ( 6.857 2.133 -5.381) 8.973 3.698 ( -6.126 2.860 4.638) 8.199 3.761 ( 2.576 0.316 -0.433) 2.631 4.035 ( 1.017 -0.526 2.714) 2.945 4.095 ( -4.994 8.363 4.207) 10.611 4.112 ( 4.103 1.801 -0.445) 4.503 4.214 ( -3.442 3.853 -4.842) 7.081 4.347 ( 3.894 0.591 3.826) 5.491 4.432 ( -2.659 1.365 -0.266) 3.001 4.537 ( -2.720 2.425 -2.251) 4.283 4.571 ( 4.343 2.233 -2.856) 5.657 4.675 ( -3.019 -4.328 1.704) 5.545 4.747 ( 5.002 -4.355 -4.059) 7.776 4.896 ( -2.635 0.883 1.234) 3.040 4.930 ( 0.832 -2.137 -1.154) 2.567 5.064 ( -1.566 -0.778 2.215) 2.822 5.105 ( 1.661 -5.965 -1.786) 6.445 5.258 ( -4.722 -4.217 7.278) 9.646 5.380 ( 0.689 3.266 0.298) 3.352 5.601 ( 6.575 -6.411 -0.001) 9.183 5.711 ( -5.547 -2.797 -5.769) 8.478 6.059 ( -1.175 2.199 3.054) 3.943 6.114 ( 3.762 0.190 -2.004) 4.267 6.309 ( -3.685 -4.608 4.443) 7.387 6.405 ( 3.198 -5.087 -3.776) 7.097 6.961 ( 4.923 2.132 1.403) 5.545 7.016 ( -5.067 1.570 -3.492) 6.351 7.196 ( 1.868 0.109 1.589) 2.454 7.199 ( -2.643 -0.940 1.072) 3.003 7.552 ( 2.120 2.846 -0.099) 3.550 7.602 ( -0.777 0.904 -4.176) 4.343 7.896 ( 4.235 1.898 6.761) 8.200 8.066 ( -6.176 2.955 -7.023) 9.808 8.156 ( -1.605 2.375 4.340) 5.201 8.250 ( 3.714 1.002 -2.841) 4.782 8.421 ( -3.899 -1.557 3.831) 5.684 8.501 ( 1.909 4.308 -2.264) 5.228 8.889 ( -1.793 -0.936 2.392) 3.133 8.972 ( 3.480 1.358 -4.562) 5.897 9.511 ( -4.100 5.129 2.573) 7.053 9.555 ( 4.494 1.992 -1.489) 5.136 9.827 ( -1.520 3.571 10.638) 11.324 10.072 ( 1.046 2.583 -10.246) 10.618 10.280 ( -0.477 -0.407 3.443) 3.500 10.375 ( 1.599 1.041 -4.339) 4.740 10.553 ( -4.964 -1.252 5.299) 7.368 10.669 ( 4.432 -0.411 -4.996) 6.691 11.092 ( -0.992 3.788 4.267) 5.791 11.163 ( -0.202 3.971 -1.792) 4.361 11.594 ( 4.412 -1.140 -0.459) 4.580 11.607 ( -4.488 -1.360 -1.313) 4.869 11.692 ( 2.911 -2.663 2.326) 4.580 11.731 ( -2.555 -3.697 -1.113) 4.629 12.070 ( 0.223 -0.014 0.259) 0.342 12.077 ( -0.079 1.052 -0.322) 1.103 12.769 ( 0.252 -2.742 1.789) 3.283 12.810 ( -0.094 -2.976 -1.690) 3.424 13.385 ( -0.028 12.641 3.130) 13.023 13.461 ( -0.603 11.914 -3.297) 12.377 13.559 ( 1.202 3.102 2.123) 3.947 13.610 ( -0.690 3.495 -2.181) 4.177 15.770 ( 0.460 -1.358 3.209) 3.514 15.842 ( -0.540 -1.527 -2.841) 3.270 17.822 ( 0.989 4.472 0.243) 4.586 17.829 ( -0.960 4.735 -0.312) 4.842 18.491 ( -4.614 4.382 1.782) 6.608 18.535 ( 5.389 0.279 -2.076) 5.782 18.668 ( -0.146 -6.303 2.810) 6.902 18.730 ( -0.822 -8.535 -2.505) 8.933 19.682 ( 0.121 12.276 3.200) 12.687 19.757 ( -0.397 10.320 -3.220) 10.818 20.288 ( -0.882 10.753 11.350) 15.659 20.595 ( 1.680 11.226 -14.959) 18.778 21.213 ( -2.296 -8.729 8.289) 12.255 21.443 ( 5.307 -5.361 -11.682) 13.906 22.022 ( -3.153 0.231 12.263) 12.664 22.123 ( -3.497 0.002 5.359) 6.400 22.297 ( 1.238 5.005 -5.392) 7.460 22.310 ( 4.275 -5.053 -6.934) 9.586 22.587 ( -2.573 -5.728 4.161) 7.533 22.655 ( -0.411 -6.026 0.007) 6.040 22.742 ( 0.942 -4.261 -0.526) 4.396 22.773 ( 0.049 -5.076 -1.548) 5.307 ======================= Grid point 194 (84/102) ======================= q-point: (-0.36 -0.55 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.437 ( -8.566 -0.630 9.321) 12.675 1.585 ( -8.715 -0.849 4.944) 10.055 1.813 ( 5.593 -0.509 -12.153) 13.388 1.873 ( 3.367 -4.228 -7.535) 9.273 2.136 ( -2.449 -0.501 2.073) 3.248 2.260 ( 3.438 -2.275 -4.626) 6.196 2.339 ( -6.280 -3.394 6.611) 9.729 2.560 ( -3.518 -4.828 4.429) 7.437 2.615 ( 6.891 -3.787 -3.722) 8.699 2.623 ( 3.489 -2.131 -1.757) 4.450 2.820 ( -8.999 -0.321 3.192) 9.554 3.023 ( -0.337 1.246 0.377) 1.345 3.043 ( -8.763 -3.647 2.471) 9.808 3.135 ( -1.470 -0.679 2.694) 3.143 3.151 ( 8.652 -3.523 -1.412) 9.448 3.212 ( -0.018 -0.855 -2.686) 2.819 3.398 ( -4.122 -6.430 3.176) 8.272 3.480 ( 1.407 2.992 -1.865) 3.796 3.513 ( 1.199 1.871 -3.535) 4.176 3.570 ( 4.005 2.296 -3.199) 5.617 3.640 ( -1.386 2.208 3.876) 4.671 3.764 ( 4.024 2.251 -2.358) 5.178 3.923 ( -3.852 7.158 3.629) 8.902 4.007 ( -5.097 3.872 3.924) 7.507 4.077 ( 3.329 7.979 -4.257) 9.637 4.100 ( -3.825 -2.025 -0.644) 4.375 4.344 ( -1.748 5.236 -2.124) 5.915 4.405 ( 7.773 -0.711 0.996) 7.869 4.489 ( 2.139 3.146 -0.699) 3.868 4.547 ( 4.441 1.823 -2.802) 5.558 4.755 ( -3.751 -5.116 2.768) 6.921 4.830 ( -2.707 -2.173 4.142) 5.404 4.960 ( 8.140 -7.471 -2.036) 11.235 4.999 ( 3.087 -3.390 -2.186) 5.080 5.043 ( -1.434 0.188 3.723) 3.994 5.192 ( 4.926 0.591 -5.118) 7.128 5.368 ( -3.274 -8.907 1.980) 9.694 5.392 ( 0.073 -4.292 4.128) 5.956 5.688 ( -8.776 -3.421 -2.666) 9.789 5.760 ( 7.291 -3.239 -1.107) 8.054 6.015 ( -3.899 0.956 3.114) 5.080 6.141 ( 4.711 -0.174 -2.967) 5.570 6.399 ( -2.633 -5.839 4.456) 7.803 6.500 ( -0.188 -5.215 -3.960) 6.551 6.929 ( -4.695 2.452 -3.521) 6.360 6.943 ( 2.172 3.655 1.972) 4.687 7.194 ( -3.965 -0.835 0.524) 4.086 7.209 ( -0.048 -0.166 2.659) 2.665 7.488 ( 2.077 5.999 1.047) 6.434 7.547 ( 2.657 5.737 -4.428) 7.718 7.867 ( 1.184 5.361 4.624) 7.178 7.953 ( -1.483 4.353 -2.687) 5.326 8.110 ( 2.065 3.240 0.900) 3.946 8.228 ( 4.291 4.145 -6.252) 8.642 8.435 ( -4.761 -1.960 1.701) 5.422 8.475 ( 1.577 -1.902 3.738) 4.481 8.889 ( -0.437 1.647 0.644) 1.822 8.979 ( 3.793 -1.240 -3.152) 5.085 9.360 ( -2.115 9.374 2.978) 10.061 9.480 ( 5.558 10.775 -2.298) 12.340 9.798 ( -3.186 -0.347 10.409) 10.891 10.001 ( -1.292 2.541 -9.641) 10.053 10.295 ( -0.944 -0.142 2.322) 2.510 10.376 ( 2.542 -1.700 -4.197) 5.193 10.533 ( -8.315 -1.378 4.146) 9.393 10.709 ( 3.458 -1.483 -3.402) 5.072 11.007 ( -2.959 4.591 2.806) 6.141 11.077 ( 1.136 4.817 -0.795) 5.012 11.577 ( -5.820 -0.158 -1.565) 6.029 11.611 ( 2.255 3.387 1.310) 4.274 11.751 ( -5.183 -3.119 -2.083) 6.398 11.779 ( 1.174 -1.962 2.055) 3.074 12.026 ( -3.300 1.535 0.163) 3.643 12.102 ( 3.937 -0.217 -0.045) 3.943 12.846 ( 0.941 -4.528 1.533) 4.872 12.880 ( 1.067 -4.460 -1.658) 4.877 13.065 ( -7.439 18.193 2.086) 19.765 13.158 ( -1.148 18.997 -1.721) 19.109 13.510 ( 2.514 3.512 1.557) 4.591 13.556 ( 3.262 4.436 -2.012) 5.862 15.814 ( 1.504 -2.072 2.196) 3.373 15.888 ( 5.365 -1.613 -1.997) 5.948 17.695 ( -7.383 4.306 -0.106) 8.548 17.784 ( 4.601 2.891 0.011) 5.434 18.339 ( -11.383 4.721 2.090) 12.499 18.543 ( 8.639 5.245 -3.528) 10.704 18.757 ( -5.336 -3.985 4.141) 7.842 18.937 ( 9.344 -9.719 -3.283) 13.876 19.492 ( 1.213 8.973 3.433) 9.684 19.556 ( 1.241 8.904 -3.512) 9.652 20.055 ( -2.095 16.294 11.420) 20.007 20.286 ( -0.951 18.919 -12.015) 22.432 21.378 ( -4.452 -9.637 5.603) 12.004 21.567 ( 2.261 -6.708 -8.314) 10.920 21.968 ( -6.848 2.632 5.342) 9.075 22.141 ( -1.290 -2.257 3.776) 4.585 22.192 ( 1.025 4.801 -0.663) 4.954 22.405 ( 4.627 -0.854 -7.911) 9.205 22.711 ( -1.336 -6.980 3.503) 7.923 22.788 ( -0.069 -10.392 5.645) 11.827 22.855 ( 2.684 -5.737 -4.238) 7.620 22.899 ( 2.783 -8.076 -1.184) 8.624 ======================= Grid point 195 (85/102) ======================= q-point: (-0.27 -0.55 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.441 ( -4.449 -4.898 2.206) 6.975 1.606 ( -9.703 -6.532 4.986) 12.716 1.764 ( 0.232 0.313 -8.834) 8.843 2.044 ( 5.711 -6.798 -4.675) 10.035 2.115 ( -6.832 0.264 4.138) 7.992 2.319 ( -1.267 -3.846 -4.456) 6.021 2.385 ( -0.787 -5.352 1.746) 5.684 2.555 ( -5.711 4.229 5.609) 9.053 2.609 ( 0.320 0.444 1.748) 1.832 2.718 ( 4.835 0.270 -0.529) 4.871 2.825 ( -5.113 -5.281 1.861) 7.583 3.026 ( 5.500 1.480 -2.225) 6.115 3.050 ( -7.317 -4.343 1.391) 8.622 3.133 ( -3.646 0.063 0.025) 3.646 3.215 ( 0.363 -1.738 -1.395) 2.258 3.256 ( 4.893 -1.434 -1.790) 5.403 3.400 ( -4.501 -0.090 0.127) 4.503 3.479 ( -2.635 -0.368 -1.287) 2.956 3.533 ( -0.028 4.351 0.638) 4.397 3.565 ( 4.459 -1.495 -0.836) 4.776 3.600 ( 1.499 -2.333 -0.392) 2.801 3.733 ( 2.018 3.070 -2.549) 4.471 3.824 ( -1.524 2.774 3.680) 4.854 3.888 ( -8.199 1.713 2.491) 8.739 4.014 ( 9.046 3.607 -0.627) 9.759 4.137 ( 0.123 -3.291 -2.209) 3.966 4.240 ( 0.452 4.719 -0.409) 4.758 4.434 ( 2.998 2.182 -0.541) 3.747 4.495 ( 6.241 -0.862 0.979) 6.376 4.574 ( 8.177 0.596 -1.864) 8.408 4.774 ( -7.364 -2.104 4.260) 8.763 4.899 ( 1.272 -3.726 2.206) 4.513 5.049 ( -0.302 -1.638 1.344) 2.140 5.073 ( 0.372 -3.714 -2.839) 4.689 5.114 ( 1.702 -3.184 -0.388) 3.631 5.248 ( 9.431 -4.721 -5.329) 11.817 5.462 ( -1.904 -2.563 3.223) 4.536 5.503 ( -0.467 -5.454 1.921) 5.801 5.686 ( -6.717 -4.305 -2.193) 8.274 5.820 ( 2.814 0.750 1.442) 3.249 5.986 ( -3.782 0.148 1.010) 3.918 6.173 ( 3.096 -0.907 -2.112) 3.856 6.472 ( -2.530 -3.479 5.733) 7.168 6.576 ( -1.203 -4.702 -6.099) 7.794 6.826 ( -5.486 3.911 -2.190) 7.084 6.906 ( 2.602 2.661 1.808) 4.138 7.150 ( -4.233 5.540 6.507) 9.537 7.187 ( -4.401 0.702 -3.579) 5.716 7.380 ( 4.052 7.398 2.359) 8.759 7.431 ( 4.298 8.488 -4.362) 10.467 7.784 ( 0.478 3.491 -0.934) 3.646 7.887 ( 3.124 3.841 2.739) 5.658 8.075 ( 5.407 4.002 0.489) 6.745 8.183 ( 4.240 1.657 -8.630) 9.757 8.450 ( -3.646 -1.577 1.386) 4.207 8.533 ( -0.189 -1.606 4.852) 5.114 8.843 ( -1.973 1.995 1.098) 3.014 9.031 ( 3.737 -0.479 -2.286) 4.407 9.178 ( -2.851 8.939 2.341) 9.670 9.317 ( 4.719 8.217 -0.146) 9.476 9.796 ( -5.296 0.469 7.161) 8.919 9.921 ( -2.065 2.916 -9.252) 9.918 10.279 ( -2.724 0.583 2.324) 3.628 10.451 ( 5.023 -4.022 -4.455) 7.826 10.532 ( -6.242 -4.553 3.040) 8.303 10.742 ( 0.218 -1.149 -1.206) 1.679 10.907 ( -4.012 3.858 0.803) 5.624 11.030 ( 3.775 2.133 0.658) 4.386 11.487 ( -3.124 7.003 0.774) 7.707 11.534 ( -1.961 4.401 -0.962) 4.914 11.716 ( -7.669 1.749 -0.543) 7.885 11.758 ( -6.345 3.706 1.133) 7.435 11.993 ( 0.954 0.761 -0.645) 1.380 12.123 ( 3.726 1.392 0.433) 4.001 12.706 ( -7.303 12.783 0.090) 14.722 12.796 ( -2.589 15.361 -0.151) 15.578 12.960 ( -0.634 -5.856 1.012) 5.976 12.995 ( 0.101 -5.463 -0.619) 5.499 13.458 ( 3.911 6.435 1.338) 7.648 13.503 ( 5.125 3.355 -1.919) 6.419 15.872 ( 2.815 -2.277 -0.073) 3.621 15.946 ( 6.382 0.174 0.147) 6.386 17.595 ( -6.891 0.453 -0.078) 6.906 17.795 ( 5.694 0.111 0.088) 5.696 18.190 ( -9.956 2.855 1.325) 10.442 18.486 ( 6.962 6.122 -3.044) 9.758 18.733 ( -8.243 1.673 3.393) 9.070 19.077 ( 8.736 2.635 -3.322) 9.710 19.412 ( -0.073 2.102 3.236) 3.859 19.528 ( 4.367 -2.435 -0.552) 5.031 19.764 ( -2.419 12.711 3.746) 13.471 19.921 ( 0.517 18.297 -5.315) 19.061 21.464 ( -10.277 -3.409 2.187) 11.047 21.655 ( -1.419 -4.525 -0.746) 4.801 21.923 ( -1.078 -1.885 -2.155) 3.060 22.104 ( 4.749 6.054 -2.803) 8.189 22.205 ( -3.430 -4.080 7.654) 9.327 22.402 ( 1.439 1.506 -4.979) 5.397 22.819 ( -1.600 -5.964 3.639) 7.167 22.933 ( 2.585 -2.736 -3.965) 5.467 23.012 ( 3.836 -9.354 2.883) 10.513 23.077 ( 3.739 -8.704 -1.076) 9.535 ======================= Grid point 196 (86/102) ======================= q-point: (-0.18 -0.55 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.541 ( -0.566 -7.568 -4.566) 8.856 1.665 ( -4.013 -5.180 -0.911) 6.615 1.785 ( -0.849 -2.505 -2.845) 3.885 2.048 ( -12.005 -0.475 9.309) 15.199 2.143 ( 3.453 -0.778 -0.250) 3.549 2.307 ( -7.396 1.789 0.995) 7.674 2.470 ( -4.396 -2.004 4.034) 6.294 2.523 ( 5.027 -2.523 -3.524) 6.637 2.605 ( 3.520 0.769 -3.099) 4.752 2.718 ( 2.673 -0.088 3.446) 4.362 2.869 ( -3.953 -2.786 -1.602) 5.095 2.993 ( -4.455 0.603 -0.061) 4.496 3.090 ( -1.502 0.640 -2.448) 2.942 3.127 ( 3.678 -3.089 1.916) 5.171 3.218 ( 0.479 2.830 -1.706) 3.339 3.317 ( 1.305 -3.210 -1.485) 3.770 3.357 ( -4.808 3.010 2.930) 6.384 3.452 ( -1.058 2.311 -5.166) 5.758 3.463 ( -0.586 1.355 5.491) 5.686 3.574 ( 4.592 -0.570 -4.811) 6.675 3.642 ( 3.476 0.217 -0.825) 3.579 3.750 ( -4.262 2.810 1.371) 5.286 3.783 ( -1.253 -4.683 1.842) 5.186 3.894 ( -0.684 -4.240 1.724) 4.628 4.040 ( 6.746 0.488 -1.135) 6.858 4.187 ( 2.586 -0.292 0.317) 2.621 4.208 ( 5.266 0.804 -1.999) 5.690 4.450 ( -0.801 -3.540 2.673) 4.507 4.538 ( 1.815 0.043 -0.201) 1.826 4.626 ( 8.700 0.358 -0.695) 8.735 4.769 ( -2.812 -1.327 1.913) 3.652 4.961 ( 0.438 -2.579 -1.784) 3.166 5.057 ( -2.431 -0.714 1.406) 2.897 5.138 ( 3.069 -2.035 -0.671) 3.743 5.207 ( 0.481 -6.650 0.817) 6.717 5.370 ( 2.155 -3.503 -5.849) 7.150 5.453 ( -3.606 1.163 3.234) 4.981 5.555 ( 1.995 0.120 -0.421) 2.043 5.738 ( -2.667 -4.747 0.311) 5.454 5.822 ( 1.719 0.595 4.087) 4.473 5.934 ( -4.672 1.508 -1.886) 5.259 6.217 ( 1.709 -2.075 0.851) 2.819 6.521 ( -2.102 -2.235 4.129) 5.144 6.577 ( 0.378 3.729 -9.030) 9.777 6.718 ( -5.786 2.365 2.946) 6.910 6.904 ( -1.357 0.592 2.769) 3.140 6.958 ( 0.983 10.139 -0.180) 10.188 7.124 ( -4.390 2.621 -2.479) 5.682 7.297 ( 3.533 7.466 -0.382) 8.268 7.326 ( 4.200 3.991 0.787) 5.847 7.769 ( 4.623 0.073 -2.778) 5.394 7.879 ( 3.185 0.499 4.552) 5.578 8.060 ( 7.219 2.905 0.043) 7.782 8.180 ( 3.546 1.119 -8.366) 9.155 8.383 ( -5.302 5.844 1.003) 7.954 8.560 ( -3.472 -2.624 4.873) 6.534 8.795 ( -0.878 2.644 -1.275) 3.063 9.006 ( -0.062 3.386 1.337) 3.641 9.058 ( -3.418 1.031 1.446) 3.852 9.314 ( 5.096 -1.684 1.842) 5.674 9.721 ( -7.771 3.398 4.530) 9.616 9.822 ( -2.490 4.033 -8.738) 9.941 10.252 ( -3.282 0.283 1.428) 3.591 10.565 ( 6.400 -4.769 -4.176) 9.008 10.618 ( -1.435 -6.746 1.380) 7.034 10.760 ( 0.988 -0.810 1.441) 1.926 10.825 ( -4.207 1.866 0.726) 4.659 11.053 ( 4.796 -0.451 0.297) 4.827 11.325 ( -2.951 7.787 2.023) 8.569 11.408 ( -1.661 7.982 -2.435) 8.509 11.536 ( -13.050 7.643 2.728) 15.368 11.630 ( -6.532 4.875 -2.086) 8.413 11.988 ( 1.895 1.299 -1.248) 2.614 12.108 ( 2.620 2.756 1.364) 4.040 12.520 ( -4.262 3.836 -0.246) 5.740 12.564 ( -3.742 7.498 0.161) 8.382 13.052 ( -1.253 -5.031 -1.233) 5.330 13.108 ( -0.179 -6.455 1.768) 6.695 13.357 ( 2.791 7.326 -0.406) 7.850 13.498 ( 6.585 2.168 -0.267) 6.938 15.931 ( 3.251 -1.861 -1.888) 4.195 15.970 ( 3.956 1.589 1.915) 4.674 17.575 ( -4.120 -2.287 -0.102) 4.714 17.865 ( 7.041 -2.667 0.500) 7.546 18.110 ( -6.188 -0.505 -0.213) 6.212 18.434 ( 5.906 4.232 -2.529) 7.694 18.608 ( -10.062 4.924 3.556) 11.753 19.014 ( 3.250 6.859 -1.889) 7.822 19.339 ( -5.879 7.484 3.501) 10.140 19.456 ( -4.594 2.157 -2.471) 5.644 19.650 ( 3.135 11.580 -0.781) 12.022 19.842 ( 14.743 -7.866 0.161) 16.711 21.358 ( -14.940 3.334 0.801) 15.329 21.733 ( -1.055 -4.800 1.896) 5.268 21.986 ( 3.484 -2.539 -3.501) 5.554 22.034 ( 2.980 3.064 -2.579) 4.992 22.261 ( -2.203 -1.835 7.713) 8.229 22.367 ( 0.435 1.258 -4.789) 4.971 22.913 ( -1.611 -4.865 3.400) 6.150 22.965 ( 1.673 -0.113 -2.771) 3.239 23.175 ( 3.729 -5.193 1.074) 6.483 23.241 ( 3.339 -6.545 -0.965) 7.410 ======================= Grid point 197 (87/102) ======================= q-point: (-0.09 -0.55 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.629 ( -1.546 0.633 3.737) 4.093 1.698 ( -4.442 -1.097 -0.034) 4.576 1.775 ( 4.627 -0.314 -11.862) 12.737 2.051 ( -8.024 -4.943 7.866) 12.276 2.125 ( 3.268 4.765 2.512) 6.301 2.267 ( -1.891 -2.682 -0.561) 3.329 2.382 ( -0.464 6.739 0.494) 6.773 2.588 ( 0.097 -2.571 -2.156) 3.356 2.648 ( 1.710 -0.714 0.242) 1.869 2.786 ( 4.318 -2.297 2.459) 5.474 2.897 ( 1.958 -2.060 -2.286) 3.647 2.995 ( -6.631 -4.692 0.557) 8.142 3.046 ( 0.560 3.825 -2.514) 4.611 3.149 ( -0.328 2.712 -0.706) 2.821 3.184 ( -2.462 5.457 -1.045) 6.078 3.230 ( -0.517 -2.506 3.314) 4.187 3.325 ( -1.328 2.062 1.390) 2.820 3.461 ( -3.681 -2.511 2.522) 5.120 3.504 ( 7.069 -1.264 -1.559) 7.349 3.592 ( 0.258 4.547 -4.283) 6.252 3.637 ( -1.245 -3.823 1.350) 4.241 3.718 ( 1.015 -0.098 -1.734) 2.012 3.816 ( 1.201 -0.034 1.912) 2.258 3.985 ( -0.254 -4.118 0.433) 4.149 4.093 ( 6.359 -0.909 -3.455) 7.294 4.171 ( -2.363 1.817 2.636) 3.980 4.239 ( 6.113 0.804 -2.799) 6.771 4.489 ( -6.902 0.317 4.130) 8.049 4.584 ( 1.441 -6.804 -1.453) 7.105 4.688 ( 7.259 -0.526 1.836) 7.506 4.794 ( 2.313 -1.157 0.063) 2.588 4.992 ( -0.902 -1.439 -4.412) 4.727 5.052 ( -2.074 -0.131 1.384) 2.497 5.169 ( 0.268 0.592 3.343) 3.405 5.261 ( -5.813 0.622 -2.232) 6.258 5.425 ( -2.901 -2.120 1.727) 3.987 5.445 ( 2.208 -5.612 -0.769) 6.080 5.542 ( 4.515 3.243 -1.912) 5.878 5.791 ( -1.673 -2.283 1.289) 3.110 5.805 ( 1.881 3.534 1.675) 4.340 5.913 ( -3.570 -2.186 -0.361) 4.201 6.262 ( 0.816 -1.135 1.317) 1.920 6.443 ( 3.516 6.291 -2.925) 7.778 6.537 ( -2.715 1.198 0.066) 2.968 6.680 ( -2.857 -0.537 1.921) 3.485 6.759 ( 1.196 7.850 -0.025) 7.941 6.950 ( 0.737 -0.880 -2.151) 2.438 7.033 ( -2.787 2.956 0.016) 4.063 7.254 ( 3.612 0.579 1.296) 3.881 7.299 ( 5.302 2.771 -0.868) 6.046 7.827 ( 7.771 -1.979 -2.737) 8.473 7.924 ( 0.586 -1.921 3.968) 4.448 8.064 ( 8.617 4.114 -1.391) 9.650 8.114 ( -3.609 3.544 -2.829) 5.796 8.256 ( -6.387 2.044 1.487) 6.868 8.596 ( -2.714 -2.791 2.037) 4.393 8.730 ( -2.634 1.929 -3.170) 4.550 8.987 ( -0.372 -0.924 1.829) 2.083 9.060 ( -2.146 -2.059 1.159) 3.192 9.387 ( 2.334 -1.765 5.010) 5.802 9.605 ( -7.164 3.785 3.017) 8.646 9.726 ( -0.474 2.418 -8.943) 9.276 10.229 ( -2.158 0.225 0.404) 2.207 10.665 ( 2.616 -1.047 -0.111) 2.820 10.707 ( 0.256 -3.133 -2.863) 4.251 10.776 ( 4.316 1.055 2.529) 5.113 10.839 ( 0.757 -5.008 0.286) 5.073 11.099 ( 3.742 -0.405 0.694) 3.827 11.192 ( -1.259 5.928 2.769) 6.662 11.258 ( -2.583 3.720 -3.143) 5.513 11.342 ( -10.564 4.317 0.227) 11.415 11.488 ( -4.526 4.949 0.015) 6.706 11.974 ( 0.748 0.596 -1.438) 1.727 12.088 ( 1.011 1.118 1.729) 2.294 12.455 ( -1.501 2.385 -0.459) 2.855 12.470 ( -1.850 0.941 0.239) 2.090 13.110 ( -0.213 -2.099 -0.319) 2.134 13.218 ( -2.846 -6.517 0.739) 7.150 13.247 ( 2.777 6.832 -0.762) 7.415 13.520 ( 4.168 -0.224 0.278) 4.183 15.962 ( 1.687 1.519 1.441) 2.689 15.980 ( 2.155 -1.603 -1.454) 3.054 17.592 ( -2.354 -1.712 -0.147) 2.914 17.985 ( 6.717 -3.298 2.925) 8.035 18.109 ( -0.809 -3.350 -3.939) 5.234 18.354 ( -3.443 7.472 -1.987) 8.463 18.497 ( -3.764 0.623 4.383) 5.811 18.925 ( 1.631 3.152 -2.277) 4.217 19.180 ( -3.684 5.376 1.716) 6.739 19.378 ( -1.938 2.869 -0.479) 3.495 19.578 ( 1.089 0.163 -0.334) 1.151 20.078 ( 11.743 -6.037 0.064) 13.204 21.184 ( -11.632 4.130 0.315) 12.347 21.796 ( 0.935 -1.295 0.895) 1.831 21.969 ( 1.667 1.801 -0.699) 2.552 22.088 ( 1.887 -3.177 -2.561) 4.496 22.243 ( -2.131 2.543 4.409) 5.518 22.375 ( 1.150 -1.995 -3.365) 4.077 22.950 ( 0.148 1.661 0.269) 1.689 22.982 ( -0.947 -2.855 1.556) 3.387 23.263 ( 1.804 -2.354 0.065) 2.966 23.343 ( 1.305 -3.048 -0.824) 3.416 ======================= Grid point 204 (88/102) ======================= q-point: (-0.45 -0.45 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 102 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.512 ( -0.144 0.000 -4.585) 4.587 1.515 ( -0.378 0.000 -1.335) 1.387 1.804 ( -15.237 0.000 1.021) 15.271 1.833 ( -13.525 0.000 9.184) 16.349 2.162 ( 7.788 -0.000 2.796) 8.275 2.205 ( 2.625 -0.000 -2.624) 3.712 2.303 ( 2.400 -0.000 2.165) 3.232 2.421 ( 1.758 -0.000 -8.958) 9.129 2.447 ( -2.310 0.000 1.833) 2.949 2.562 ( 9.848 -0.000 -3.523) 10.460 2.812 ( -8.269 0.000 -2.936) 8.774 2.965 ( -10.605 0.000 2.755) 10.957 3.039 ( -3.576 0.000 0.597) 3.625 3.066 ( 14.832 -0.000 -2.610) 15.060 3.158 ( -2.555 0.000 5.546) 6.107 3.203 ( -3.931 0.000 -3.761) 5.440 3.275 ( -5.648 0.000 10.456) 11.884 3.526 ( -2.988 0.000 -3.814) 4.845 3.603 ( 8.999 -0.000 -7.481) 11.703 3.664 ( 4.024 -0.000 -2.158) 4.566 3.730 ( -2.052 0.000 3.880) 4.389 3.767 ( 6.757 -0.000 0.098) 6.757 3.962 ( -14.412 0.000 4.010) 14.960 4.144 ( -1.785 0.000 -8.362) 8.551 4.180 ( -3.674 0.000 5.347) 6.488 4.229 ( 3.177 -0.000 4.897) 5.837 4.393 ( 5.686 -0.000 2.505) 6.213 4.414 ( -4.334 0.000 1.991) 4.769 4.544 ( -0.167 0.000 -6.784) 6.786 4.575 ( -1.719 0.000 -0.545) 1.803 4.694 ( 11.690 -0.000 0.632) 11.707 4.769 ( 10.852 -0.000 -6.052) 12.425 4.907 ( 0.193 -0.000 -0.273) 0.335 4.923 ( 1.418 -0.000 -1.768) 2.266 5.008 ( 0.029 -0.000 3.979) 3.979 5.057 ( 0.857 -0.000 -2.521) 2.663 5.197 ( -6.149 0.000 9.465) 11.287 5.485 ( -2.916 0.000 10.281) 10.687 5.531 ( 8.561 -0.000 -8.798) 12.275 5.635 ( -4.115 0.000 -5.882) 7.178 6.088 ( 1.282 -0.000 0.661) 1.443 6.156 ( 4.154 -0.000 -0.546) 4.190 6.218 ( -6.635 0.000 2.832) 7.214 6.369 ( 1.263 -0.000 -1.994) 2.361 6.978 ( -6.618 0.000 -3.710) 7.587 7.020 ( 3.818 -0.000 2.656) 4.651 7.168 ( -3.507 0.000 0.683) 3.573 7.205 ( -0.551 0.000 1.135) 1.262 7.586 ( 0.219 -0.000 -4.707) 4.713 7.605 ( 3.669 -0.000 -0.834) 3.763 7.972 ( 6.563 -0.000 8.543) 10.773 8.042 ( -3.133 0.000 -9.057) 9.584 8.170 ( -2.616 0.000 4.596) 5.288 8.262 ( 0.040 -0.000 -1.124) 1.125 8.384 ( -4.125 0.000 5.105) 6.563 8.584 ( 6.506 -0.000 -4.964) 8.184 8.868 ( -1.156 0.000 3.056) 3.267 9.006 ( 3.908 -0.000 -4.443) 5.917 9.533 ( -0.850 0.000 0.053) 0.852 9.612 ( 6.491 -0.000 2.017) 6.797 9.881 ( -1.394 0.000 9.123) 9.229 10.066 ( -3.136 0.000 -10.159) 10.632 10.264 ( -3.521 0.000 3.335) 4.850 10.396 ( 2.036 -0.000 -4.818) 5.230 10.526 ( -3.898 0.000 5.557) 6.787 10.677 ( 2.401 -0.000 -5.028) 5.572 11.134 ( -1.109 0.000 4.967) 5.089 11.188 ( -1.806 0.000 -1.463) 2.324 11.557 ( -5.678 0.000 -1.538) 5.883 11.567 ( -6.635 0.000 -0.527) 6.656 11.680 ( 0.613 -0.000 -1.212) 1.358 11.697 ( 4.928 -0.000 2.245) 5.415 12.076 ( 0.421 -0.000 1.008) 1.093 12.081 ( -0.654 0.000 -1.265) 1.424 12.755 ( 1.741 -0.000 1.634) 2.388 12.784 ( 1.106 -0.000 -1.608) 1.952 13.470 ( -5.982 0.000 1.520) 6.172 13.554 ( -3.025 0.000 -1.306) 3.295 13.617 ( 5.314 -0.000 1.869) 5.633 13.659 ( 1.464 -0.000 -2.215) 2.655 15.790 ( 5.524 -0.000 3.668) 6.631 15.826 ( 2.912 -0.000 -3.163) 4.299 17.863 ( -3.871 0.000 -0.557) 3.911 17.865 ( -1.882 0.000 0.548) 1.960 18.478 ( -7.675 0.000 0.226) 7.679 18.545 ( 0.844 -0.000 0.487) 0.975 18.634 ( 1.836 -0.000 -1.226) 2.208 18.666 ( 7.970 -0.000 0.709) 8.002 19.829 ( 1.217 -0.000 2.310) 2.611 19.859 ( 1.378 -0.000 -1.173) 1.809 20.392 ( -2.400 0.000 9.988) 10.272 20.668 ( 0.899 -0.000 -16.094) 16.119 21.124 ( -4.252 0.000 9.564) 10.466 21.404 ( 4.460 -0.000 -15.024) 15.672 22.021 ( -3.669 0.000 13.110) 13.613 22.160 ( -1.732 0.000 11.671) 11.799 22.210 ( 0.236 -0.000 -4.867) 4.872 22.343 ( -1.402 0.000 -8.461) 8.577 22.521 ( -2.503 0.000 1.371) 2.854 22.592 ( 0.352 -0.000 -3.699) 3.716 22.711 ( 2.710 -0.000 1.286) 3.000 22.745 ( 4.077 -0.000 -0.039) 4.077 ======================= Grid point 205 (89/102) ======================= q-point: (-0.36 -0.45 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.395 ( -8.331 2.656 3.361) 9.368 1.555 ( -13.358 3.138 3.297) 14.112 1.703 ( -0.112 -8.118 -6.323) 10.291 1.780 ( -16.482 -2.238 -0.026) 16.634 2.210 ( 9.392 4.941 -2.427) 10.886 2.226 ( 0.738 -1.447 -4.267) 4.566 2.276 ( -4.634 -1.923 7.369) 8.914 2.467 ( -1.446 -3.153 2.123) 4.067 2.527 ( 3.190 -6.552 -1.356) 7.412 2.654 ( 10.193 -2.475 -5.726) 11.950 2.758 ( -4.261 0.513 -2.360) 4.898 2.906 ( -13.837 -3.052 3.276) 14.543 3.001 ( -6.948 -0.709 0.711) 7.021 3.108 ( -4.748 -1.341 5.252) 7.206 3.161 ( -2.876 0.172 -1.533) 3.263 3.201 ( 7.787 -0.428 -1.633) 7.967 3.309 ( 2.515 -3.034 5.981) 7.162 3.492 ( -1.710 0.473 -4.946) 5.255 3.612 ( 1.198 6.664 0.535) 6.792 3.640 ( -0.839 -0.407 -1.159) 1.488 3.673 ( 3.667 3.619 -2.223) 5.611 3.836 ( 6.310 1.444 -0.270) 6.479 3.910 ( -9.676 -4.028 2.581) 10.794 4.028 ( -3.345 6.399 -3.819) 8.169 4.118 ( -5.044 4.741 5.025) 8.554 4.242 ( 5.448 5.040 0.153) 7.423 4.369 ( -2.294 -1.288 1.018) 2.821 4.447 ( 5.243 1.981 -0.725) 5.652 4.529 ( 3.301 -1.156 -2.143) 4.102 4.604 ( 2.158 -0.672 -2.401) 3.298 4.723 ( 0.218 3.283 0.903) 3.412 4.824 ( 8.957 0.352 1.347) 9.065 4.917 ( 7.653 -2.992 -2.208) 8.509 4.985 ( 6.487 -2.103 -0.101) 6.820 5.056 ( 0.912 0.475 0.042) 1.029 5.153 ( 2.474 -10.405 0.269) 10.698 5.212 ( -2.842 -3.286 3.049) 5.308 5.403 ( 1.108 4.490 4.271) 6.295 5.563 ( -9.000 -2.382 -1.108) 9.376 5.719 ( 7.338 -6.591 -3.690) 10.531 6.030 ( -3.561 3.762 1.017) 5.279 6.189 ( 6.063 1.228 -1.790) 6.440 6.253 ( -4.890 -6.976 2.319) 8.829 6.408 ( -1.338 -4.150 -1.331) 4.559 6.908 ( -6.618 1.147 -3.882) 7.758 7.022 ( 0.899 2.499 3.925) 4.739 7.146 ( -3.914 -0.423 -0.794) 4.016 7.202 ( -2.561 -0.684 2.752) 3.821 7.563 ( 2.508 2.311 -4.467) 5.619 7.629 ( 4.140 0.917 -2.270) 4.810 7.971 ( -1.392 4.320 -5.695) 7.282 8.018 ( 5.000 2.088 8.437) 10.027 8.137 ( -2.555 1.138 0.593) 2.859 8.282 ( 2.455 -1.223 -2.174) 3.500 8.389 ( -1.968 -1.889 4.648) 5.389 8.540 ( 3.667 7.062 -0.774) 7.995 8.902 ( 2.408 -1.722 0.147) 2.964 9.000 ( 2.182 1.822 -2.428) 3.739 9.498 ( 3.060 5.171 -0.739) 6.054 9.663 ( 8.213 1.811 1.397) 8.526 9.818 ( -5.611 5.660 8.734) 11.824 10.000 ( -3.746 1.474 -9.880) 10.668 10.270 ( -3.000 -2.523 3.362) 5.165 10.371 ( 0.248 1.612 -4.662) 4.939 10.490 ( -5.399 1.429 3.818) 6.765 10.696 ( 1.871 -1.310 -3.200) 3.931 11.073 ( -3.994 4.831 2.944) 6.925 11.155 ( 0.027 2.851 0.056) 2.851 11.486 ( -9.258 -1.816 -0.465) 9.446 11.599 ( -5.621 -5.642 -1.115) 8.042 11.688 ( -0.531 -0.092 -0.608) 0.813 11.748 ( 2.269 -1.201 1.613) 3.032 12.041 ( -0.982 1.966 -0.577) 2.272 12.107 ( 1.428 -1.431 0.318) 2.046 12.794 ( 1.946 -2.261 0.639) 3.051 12.821 ( 2.189 -2.981 -0.796) 3.783 13.291 ( -9.729 12.844 0.670) 16.126 13.446 ( -6.574 13.451 0.556) 14.982 13.570 ( 5.724 1.910 -1.022) 6.120 13.671 ( 5.579 3.280 -0.190) 6.475 15.827 ( 5.825 0.459 1.005) 5.929 15.902 ( 9.360 -2.609 -0.521) 9.731 17.741 ( -7.719 6.575 -0.106) 10.141 17.841 ( -1.289 1.321 0.079) 1.847 18.320 ( -13.137 4.982 0.613) 14.063 18.669 ( 7.350 0.494 -1.318) 7.483 18.688 ( 0.476 -2.363 0.683) 2.505 18.781 ( 10.141 -12.505 0.267) 16.103 19.720 ( 2.950 11.803 3.399) 12.632 19.757 ( 2.043 11.102 -2.866) 11.647 20.303 ( -4.010 10.222 10.429) 15.144 20.532 ( -1.339 11.882 -14.164) 18.536 21.186 ( -6.044 -8.209 7.392) 12.593 21.442 ( 1.924 -5.184 -13.487) 14.576 21.977 ( -9.070 3.657 10.672) 14.475 22.084 ( -4.380 -0.017 4.452) 6.245 22.295 ( 2.909 3.187 -5.330) 6.858 22.390 ( 7.876 -5.958 -4.494) 10.850 22.547 ( -3.965 -8.988 4.694) 10.888 22.635 ( -2.029 -5.341 0.774) 5.765 22.787 ( 5.406 -4.108 -1.916) 7.055 22.819 ( 5.204 -4.179 0.203) 6.678 ======================= Grid point 206 (90/102) ======================= q-point: (-0.27 -0.45 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.327 ( -11.112 -2.227 6.172) 12.904 1.435 ( -12.757 -2.316 1.807) 13.091 1.694 ( -15.122 -3.163 -1.199) 15.495 1.892 ( 2.207 -10.899 -7.529) 13.429 2.150 ( 3.103 5.032 -1.790) 6.177 2.240 ( -3.412 -1.466 -5.588) 6.709 2.315 ( -2.053 -3.471 3.061) 5.063 2.534 ( -2.628 -4.602 3.149) 6.165 2.607 ( 0.240 -0.470 1.555) 1.642 2.723 ( -1.329 -1.562 1.801) 2.730 2.752 ( 0.944 -1.575 -0.540) 1.914 2.893 ( -9.664 -5.429 1.762) 11.224 3.014 ( -5.642 -4.955 -1.461) 7.650 3.086 ( -0.982 0.291 0.054) 1.026 3.174 ( -1.203 -2.644 0.565) 2.959 3.247 ( 1.601 -1.753 2.098) 3.168 3.404 ( 1.580 0.261 -2.764) 3.194 3.476 ( 1.239 -2.891 -1.050) 3.316 3.483 ( -3.114 4.627 2.067) 5.948 3.635 ( 5.651 1.951 -1.200) 6.097 3.645 ( 0.255 2.554 -0.524) 2.620 3.802 ( 1.220 3.429 -1.669) 4.004 3.874 ( -7.310 2.469 -2.879) 8.235 3.916 ( 0.291 6.148 3.977) 7.328 4.040 ( -2.791 -2.046 1.192) 3.660 4.179 ( 6.931 6.026 0.412) 9.194 4.341 ( 2.340 4.373 -1.976) 5.339 4.482 ( 3.632 -1.694 0.051) 4.008 4.554 ( 6.652 4.167 -1.852) 8.065 4.630 ( 7.062 -1.574 -0.892) 7.290 4.703 ( -5.218 -2.624 4.714) 7.505 4.893 ( 8.454 0.334 0.168) 8.462 5.006 ( 1.910 -3.404 -1.387) 4.142 5.045 ( -0.139 1.235 0.957) 1.569 5.091 ( 6.274 -2.350 -0.359) 6.709 5.251 ( 6.487 -1.641 -4.191) 7.895 5.361 ( 1.873 -10.211 0.744) 10.408 5.412 ( -1.587 -2.647 4.733) 5.651 5.554 ( -6.500 -4.050 0.490) 7.675 5.835 ( 2.243 -1.011 -0.912) 2.624 5.968 ( -2.084 -0.350 0.384) 2.148 6.190 ( 2.296 1.202 -1.289) 2.894 6.356 ( -4.321 -7.100 1.920) 8.531 6.468 ( -2.021 -4.080 -2.148) 5.035 6.827 ( -6.120 1.921 -3.044) 7.100 6.978 ( -0.504 2.884 3.445) 4.521 7.119 ( -4.720 -0.486 -2.062) 5.173 7.198 ( -3.797 0.083 5.091) 6.352 7.522 ( 2.871 3.922 -2.653) 5.537 7.587 ( 3.522 7.078 -4.031) 8.874 7.866 ( 0.719 4.784 -1.845) 5.178 8.000 ( 3.129 4.966 7.353) 9.409 8.127 ( -0.285 -1.417 -3.247) 3.555 8.280 ( 6.812 5.533 -5.287) 10.246 8.409 ( 0.650 -0.326 1.893) 2.028 8.496 ( -1.415 -1.744 4.410) 4.949 8.885 ( -0.578 3.568 -0.272) 3.625 9.028 ( 3.957 -2.201 0.167) 4.531 9.379 ( 3.829 10.988 -0.211) 11.638 9.563 ( 5.410 13.927 -1.100) 14.981 9.752 ( -8.078 -1.391 8.861) 12.071 9.923 ( -2.725 1.949 -10.859) 11.364 10.281 ( -2.918 0.387 3.358) 4.465 10.386 ( -0.888 -4.554 -0.466) 4.663 10.442 ( -2.775 -0.629 -1.069) 3.040 10.722 ( 0.205 -0.949 -0.625) 1.154 10.953 ( -5.350 4.668 0.767) 7.142 11.099 ( 1.076 3.191 1.404) 3.649 11.472 ( -7.169 -2.327 -0.695) 7.569 11.624 ( -2.108 2.813 0.309) 3.529 11.642 ( -7.186 -0.409 -1.686) 7.393 11.761 ( -3.701 0.514 1.752) 4.127 12.016 ( 2.003 0.801 -0.708) 2.270 12.145 ( 1.892 -1.132 0.497) 2.260 12.853 ( -1.612 -0.990 -1.853) 2.648 12.900 ( -1.437 -1.869 1.756) 2.939 12.937 ( -5.548 12.128 0.775) 13.359 13.083 ( -8.139 18.740 -0.094) 20.431 13.585 ( 6.766 1.958 -0.122) 7.045 13.622 ( 5.535 6.458 -0.572) 8.525 15.876 ( 5.999 -0.708 -0.301) 6.048 16.008 ( 10.197 -0.249 0.523) 10.213 17.575 ( -8.334 3.798 -0.031) 9.159 17.825 ( 0.926 -0.067 -0.056) 0.930 18.147 ( -14.326 2.568 0.531) 14.564 18.642 ( 5.528 5.661 -1.634) 8.080 18.719 ( 0.094 0.611 1.695) 1.804 19.109 ( 13.281 -9.302 -0.460) 16.221 19.549 ( 4.416 9.679 4.048) 11.383 19.580 ( 3.386 7.076 -2.446) 8.217 20.006 ( -9.382 17.816 3.010) 20.359 20.221 ( -1.680 16.725 -6.191) 17.913 21.300 ( -9.150 -7.493 3.820) 12.428 21.531 ( -2.654 -6.444 -6.432) 9.484 21.880 ( -6.156 0.293 2.497) 6.650 22.104 ( -5.542 -3.856 6.589) 9.434 22.242 ( 5.206 4.804 -3.404) 7.860 22.429 ( 1.823 0.950 -4.165) 4.645 22.707 ( -0.409 -6.123 2.181) 6.513 22.846 ( 5.004 -13.714 2.545) 14.819 22.893 ( 5.384 -4.288 -2.355) 7.274 22.966 ( 5.635 -7.278 0.195) 9.206 ======================= Grid point 207 (91/102) ======================= q-point: (-0.18 -0.45 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.357 ( -7.102 -8.238 -2.722) 11.212 1.457 ( -12.251 -9.162 4.988) 16.090 1.689 ( -7.137 -6.511 -3.189) 10.174 2.017 ( -6.839 1.770 4.963) 8.633 2.097 ( 2.041 -3.876 -3.040) 5.332 2.219 ( -8.446 -3.082 -3.789) 9.756 2.411 ( 2.275 -6.782 -1.115) 7.239 2.521 ( -2.898 3.813 2.405) 5.359 2.639 ( 0.812 -2.402 0.520) 2.589 2.744 ( -3.810 0.964 2.439) 4.626 2.766 ( -0.124 -3.172 0.169) 3.179 2.942 ( -5.506 -4.066 1.325) 6.972 3.020 ( -8.694 -3.750 -0.982) 9.520 3.133 ( 6.107 -1.143 -2.276) 6.617 3.216 ( 0.227 -2.188 1.130) 2.473 3.289 ( 1.989 -0.812 -0.964) 2.354 3.331 ( -5.143 0.794 -1.577) 5.438 3.432 ( -3.393 -1.065 3.180) 4.770 3.531 ( -1.514 6.927 -1.417) 7.231 3.608 ( 7.028 -3.419 -2.425) 8.184 3.685 ( 5.276 -1.468 0.072) 5.477 3.748 ( -3.127 4.214 -0.120) 5.249 3.755 ( -1.752 1.759 -0.393) 2.513 3.862 ( 2.029 0.912 0.725) 2.340 4.117 ( -1.090 -5.302 1.027) 5.510 4.146 ( 6.946 2.466 2.090) 7.661 4.270 ( 2.246 4.504 -0.707) 5.082 4.502 ( 5.675 3.688 -2.485) 7.210 4.543 ( 1.484 0.777 2.992) 3.429 4.692 ( 6.149 -0.100 -1.399) 6.307 4.752 ( 3.531 -1.994 1.279) 4.253 4.929 ( 1.602 -0.624 -0.977) 1.977 5.023 ( -2.668 -1.118 0.669) 2.969 5.096 ( 4.584 -4.317 -2.362) 6.726 5.152 ( 3.296 -1.407 1.260) 3.799 5.333 ( 2.838 -1.652 -3.858) 5.066 5.435 ( -2.370 -1.505 2.153) 3.538 5.530 ( 3.596 -5.829 0.743) 6.889 5.620 ( -1.986 -5.609 2.359) 6.401 5.815 ( -3.165 0.137 0.606) 3.226 5.970 ( 1.371 1.961 -0.773) 2.515 6.195 ( 0.382 -1.153 0.880) 1.500 6.437 ( -4.547 -4.936 2.796) 7.270 6.510 ( -4.262 -4.212 -5.618) 8.214 6.725 ( -8.149 3.660 0.280) 8.937 6.946 ( 1.644 1.250 0.391) 2.102 7.082 ( -6.351 0.796 1.525) 6.580 7.127 ( -3.362 6.127 1.487) 7.145 7.419 ( 0.064 6.823 0.273) 6.829 7.472 ( 3.082 6.773 -4.317) 8.603 7.823 ( 5.463 2.230 -2.297) 6.332 7.953 ( 2.368 3.531 7.038) 8.223 8.149 ( 1.401 -1.001 -3.992) 4.347 8.217 ( 7.878 5.031 -5.448) 10.820 8.421 ( -2.757 1.693 0.417) 3.262 8.496 ( -5.737 -0.240 3.118) 6.534 8.844 ( 1.830 0.877 1.965) 2.825 9.071 ( 1.444 1.142 1.175) 2.184 9.183 ( 2.723 12.713 1.351) 13.071 9.391 ( 5.575 6.663 -0.981) 8.744 9.704 ( -10.651 1.049 7.184) 12.890 9.842 ( -2.183 2.732 -11.073) 11.612 10.244 ( -3.690 0.993 2.681) 4.668 10.477 ( -2.542 -6.886 1.611) 7.515 10.505 ( 4.532 -5.113 -3.874) 7.854 10.740 ( 0.484 -1.389 0.705) 1.631 10.845 ( -4.364 3.091 0.503) 5.371 11.079 ( 1.595 0.639 1.574) 2.330 11.415 ( -5.529 4.138 -1.473) 7.061 11.499 ( -4.145 5.298 0.598) 6.753 11.586 ( -8.559 3.383 1.386) 9.307 11.649 ( -7.313 6.040 -0.643) 9.506 12.027 ( 3.438 0.907 -0.909) 3.670 12.165 ( 1.728 0.953 0.780) 2.122 12.583 ( -8.651 9.140 -0.117) 12.586 12.709 ( -8.870 13.551 0.045) 16.196 12.955 ( 0.691 -4.508 -0.468) 4.585 13.010 ( 0.935 -4.968 0.774) 5.114 13.527 ( 4.975 8.167 -0.392) 9.571 13.596 ( 7.089 2.742 -0.072) 7.602 15.931 ( 5.011 -0.954 -1.432) 5.299 16.047 ( 5.670 2.643 1.466) 6.425 17.510 ( -4.033 -1.518 -0.132) 4.311 17.862 ( 3.219 -2.481 -0.181) 4.068 18.039 ( -10.198 -0.882 0.383) 10.243 18.568 ( 4.636 5.925 -0.900) 7.577 18.655 ( -2.703 6.080 1.409) 6.801 19.165 ( 3.208 7.219 -0.285) 7.905 19.441 ( 0.488 6.938 3.935) 7.991 19.517 ( -5.473 8.697 -1.768) 10.427 19.806 ( 10.775 -4.587 -5.081) 12.765 19.920 ( 0.208 14.623 1.785) 14.733 21.280 ( -14.850 0.046 1.004) 14.884 21.610 ( -4.480 -6.687 0.817) 8.090 21.911 ( 0.897 -5.064 -3.480) 6.209 22.118 ( -2.628 1.256 2.377) 3.759 22.222 ( 2.458 -0.526 2.394) 3.472 22.400 ( 0.803 2.264 -3.715) 4.424 22.814 ( -1.322 -5.641 4.951) 7.621 22.956 ( 3.473 -1.934 -5.229) 6.569 23.115 ( 7.979 -7.151 1.703) 10.849 23.141 ( 5.276 -7.894 -0.088) 9.495 ======================= Grid point 208 (92/102) ======================= q-point: (-0.09 -0.45 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.483 ( -3.917 -11.111 -5.612) 13.050 1.574 ( -7.416 -9.896 2.508) 12.618 1.788 ( 2.265 -4.420 -5.884) 7.700 1.889 ( -13.847 0.406 9.194) 16.627 2.180 ( 1.017 -1.870 1.370) 2.531 2.204 ( -6.240 -1.973 -0.625) 6.574 2.423 ( -4.091 2.201 0.273) 4.654 2.591 ( 3.931 -8.379 -2.165) 9.505 2.635 ( 3.236 4.177 0.623) 5.320 2.733 ( -7.701 -5.310 1.190) 9.429 2.829 ( 3.876 -3.031 -1.421) 5.121 2.928 ( -3.741 1.684 1.383) 4.330 3.028 ( -4.194 -2.251 -1.132) 4.893 3.182 ( 0.371 -1.114 0.765) 1.401 3.230 ( 2.138 0.897 -2.294) 3.261 3.304 ( -2.114 3.453 1.137) 4.206 3.332 ( 1.129 -0.531 -0.237) 1.270 3.389 ( -3.105 0.999 -0.397) 3.286 3.459 ( -1.108 -3.584 -0.001) 3.752 3.621 ( -1.402 2.425 2.910) 4.039 3.672 ( 3.105 2.900 -4.565) 6.236 3.740 ( 2.046 0.870 -0.774) 2.354 3.811 ( 4.760 -4.938 0.459) 6.874 3.899 ( 0.167 -3.072 2.121) 3.737 4.119 ( 2.750 1.468 1.409) 3.421 4.221 ( 0.896 2.894 -1.652) 3.451 4.255 ( 2.729 -4.639 -0.906) 5.458 4.462 ( 0.980 2.576 4.520) 5.294 4.535 ( 0.330 0.106 -1.279) 1.325 4.739 ( 5.760 -0.074 -0.581) 5.790 4.799 ( 3.882 -0.640 -1.160) 4.102 4.948 ( -0.664 -1.437 -1.794) 2.393 5.048 ( 1.268 -0.980 2.123) 2.660 5.187 ( 3.036 -1.706 -2.815) 4.478 5.205 ( -1.142 -1.913 2.131) 3.083 5.350 ( -0.030 -3.751 -1.015) 3.886 5.425 ( -1.476 1.807 -0.035) 2.333 5.610 ( 4.849 0.407 -0.859) 4.941 5.703 ( -3.131 -4.728 2.426) 6.168 5.840 ( -0.930 -3.969 1.312) 4.283 5.912 ( 2.337 5.000 -0.093) 5.520 6.238 ( 0.718 -2.407 1.481) 2.916 6.470 ( -6.341 -2.542 1.856) 7.079 6.527 ( -1.686 0.578 -7.839) 8.039 6.595 ( -12.708 -1.063 2.911) 13.080 6.892 ( -2.900 8.946 5.279) 10.785 6.982 ( 2.078 1.039 -3.607) 4.291 7.049 ( -3.723 1.407 -2.570) 4.738 7.324 ( -0.290 5.381 0.867) 5.458 7.375 ( 1.099 3.548 -0.237) 3.722 7.856 ( 8.032 -0.871 -3.693) 8.884 7.943 ( 1.587 1.415 6.358) 6.704 8.158 ( -1.288 -0.561 -4.217) 4.444 8.177 ( 2.818 5.804 -2.234) 6.828 8.258 ( -6.799 6.362 -0.684) 9.337 8.498 ( -4.639 -1.993 3.269) 6.015 8.853 ( 7.765 4.257 -1.632) 9.005 9.017 ( -0.325 4.546 3.865) 5.976 9.051 ( 2.316 2.087 0.773) 3.212 9.400 ( 5.578 -0.432 1.746) 5.861 9.609 ( -9.698 2.185 6.159) 11.694 9.745 ( -1.708 3.314 -10.410) 11.058 10.220 ( -1.693 -0.104 0.894) 1.918 10.591 ( -2.698 -7.268 -0.535) 7.771 10.630 ( 4.330 -5.163 -2.491) 7.184 10.760 ( -2.994 -0.739 -0.579) 3.138 10.827 ( 4.870 -1.727 2.916) 5.934 11.094 ( -0.180 -0.772 1.905) 2.064 11.282 ( -2.537 5.042 -1.631) 5.875 11.351 ( -12.540 7.573 2.749) 14.904 11.388 ( -0.314 8.741 -0.467) 8.760 11.529 ( -5.219 3.534 -1.598) 6.502 12.013 ( 2.081 2.601 -1.001) 3.478 12.135 ( 0.161 3.035 1.376) 3.337 12.460 ( -3.372 0.997 -0.225) 3.523 12.495 ( -5.106 4.618 -0.056) 6.885 13.036 ( -0.446 -4.527 -0.313) 4.560 13.102 ( -1.076 -5.076 0.331) 5.200 13.410 ( 4.281 8.405 -0.334) 9.438 13.590 ( 5.467 3.158 0.275) 6.319 15.973 ( 3.067 -0.774 -1.853) 3.666 16.018 ( 0.979 3.161 1.827) 3.780 17.543 ( 0.075 -2.851 -0.263) 2.864 17.962 ( 5.526 -5.093 0.314) 7.521 18.029 ( -4.051 -3.468 -0.469) 5.354 18.469 ( -8.756 9.629 1.516) 13.103 18.516 ( 4.625 3.267 -0.713) 5.707 19.025 ( -1.122 7.419 0.529) 7.522 19.258 ( -5.564 7.011 -0.752) 8.982 19.414 ( -0.697 3.302 0.024) 3.375 19.685 ( 2.389 9.455 -0.477) 9.764 20.061 ( 13.799 -6.751 -0.173) 15.363 21.145 ( -13.121 1.828 0.534) 13.258 21.701 ( -4.189 -6.464 1.354) 7.820 22.016 ( 2.459 -5.132 -3.332) 6.594 22.060 ( 1.395 3.949 -0.831) 4.269 22.262 ( -2.278 -0.852 7.523) 7.906 22.359 ( 1.640 1.164 -6.038) 6.365 22.902 ( -2.228 -4.281 5.176) 7.077 22.984 ( 2.748 0.210 -3.871) 4.752 23.243 ( 4.440 -2.787 0.371) 5.255 23.297 ( 4.792 -4.378 -0.517) 6.511 ======================= Grid point 216 (93/102) ======================= q-point: (-0.36 -0.36 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 102 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.391 ( -16.909 0.000 3.911) 17.356 1.459 ( -3.467 0.000 -7.558) 8.315 1.587 ( -22.726 0.000 8.446) 24.245 1.598 ( -10.700 0.000 -6.497) 12.518 2.198 ( -12.654 0.000 7.544) 14.732 2.224 ( 0.857 -0.000 -2.769) 2.898 2.343 ( 4.231 -0.000 5.078) 6.609 2.460 ( 6.872 -0.000 -3.022) 7.508 2.463 ( 4.290 -0.000 -3.055) 5.267 2.669 ( 2.817 -0.000 -6.099) 6.719 2.747 ( -16.903 0.000 2.587) 17.100 2.772 ( 4.346 -0.000 -7.698) 8.841 2.952 ( -5.773 0.000 0.941) 5.849 3.037 ( -10.482 0.000 9.261) 13.987 3.126 ( -4.727 0.000 -1.732) 5.034 3.258 ( 4.500 -0.000 3.072) 5.449 3.336 ( 6.993 -0.000 1.618) 7.178 3.469 ( -1.792 0.000 -4.159) 4.529 3.608 ( -4.309 0.000 -0.831) 4.389 3.696 ( -3.252 0.000 2.487) 4.094 3.720 ( 7.055 -0.000 -4.411) 8.320 3.821 ( -3.555 0.000 4.895) 6.049 3.891 ( 3.926 -0.000 -6.894) 7.934 4.100 ( 5.997 -0.000 -3.163) 6.780 4.127 ( -8.667 0.000 5.677) 10.361 4.288 ( 0.845 -0.000 4.937) 5.008 4.375 ( -0.929 0.000 2.349) 2.526 4.477 ( 3.803 -0.000 -0.201) 3.809 4.551 ( 6.212 -0.000 -9.267) 11.156 4.581 ( 3.442 -0.000 2.477) 4.241 4.847 ( -1.978 0.000 2.112) 2.893 4.876 ( 7.930 -0.000 -2.315) 8.261 4.966 ( 7.942 -0.000 0.804) 7.983 4.984 ( 11.443 -0.000 -0.696) 11.464 5.063 ( 6.561 -0.000 -0.143) 6.563 5.073 ( 2.286 -0.000 -2.759) 3.583 5.170 ( -1.568 0.000 3.464) 3.802 5.474 ( -9.385 0.000 0.831) 9.422 5.500 ( -0.793 0.000 10.967) 10.995 5.673 ( 10.175 -0.000 -11.359) 15.250 6.072 ( -11.021 0.000 3.879) 11.684 6.125 ( 3.627 -0.000 -1.523) 3.933 6.266 ( 8.040 -0.000 -3.224) 8.663 6.336 ( -4.899 0.000 1.958) 5.276 6.860 ( -6.606 0.000 -3.786) 7.614 7.042 ( -4.662 0.000 5.052) 6.874 7.125 ( -0.797 0.000 -1.009) 1.286 7.167 ( -5.535 0.000 2.152) 5.938 7.610 ( 6.940 -0.000 -10.203) 12.339 7.643 ( 1.256 -0.000 -0.039) 1.256 7.987 ( 0.340 -0.000 -8.166) 8.173 8.053 ( -3.617 0.000 6.134) 7.121 8.199 ( 5.697 -0.000 7.828) 9.681 8.239 ( -1.663 0.000 -1.455) 2.210 8.371 ( -0.838 0.000 5.846) 5.906 8.672 ( 7.455 -0.000 -2.582) 7.890 8.885 ( 1.923 -0.000 0.064) 1.925 9.033 ( 1.063 -0.000 -1.296) 1.676 9.581 ( 7.732 -0.000 -4.529) 8.961 9.693 ( -2.147 0.000 8.864) 9.120 9.917 ( 6.157 -0.000 2.710) 6.727 9.944 ( -7.009 0.000 -9.096) 11.483 10.209 ( -5.233 0.000 3.132) 6.099 10.385 ( -0.639 0.000 -5.563) 5.600 10.489 ( -3.593 0.000 4.110) 5.460 10.688 ( 2.127 -0.000 -3.501) 4.096 11.134 ( -2.094 0.000 4.563) 5.021 11.141 ( -3.527 0.000 -1.200) 3.725 11.419 ( -10.124 0.000 -3.840) 10.828 11.457 ( -7.483 0.000 4.892) 8.940 11.659 ( -2.679 0.000 -2.676) 3.786 11.781 ( 3.665 -0.000 1.700) 4.040 12.069 ( 0.672 -0.000 -2.251) 2.349 12.084 ( -0.051 0.000 1.800) 1.801 12.801 ( 3.348 -0.000 0.853) 3.455 12.804 ( 2.032 -0.000 -1.150) 2.335 13.347 ( -10.787 0.000 1.052) 10.838 13.484 ( -5.686 0.000 -0.868) 5.752 13.694 ( 3.789 -0.000 -0.667) 3.847 13.706 ( 5.607 -0.000 0.532) 5.633 15.900 ( 8.442 -0.000 -4.728) 9.675 15.954 ( 13.844 -0.000 5.671) 14.961 17.761 ( -9.180 0.000 -0.056) 9.180 17.811 ( -5.228 0.000 0.218) 5.233 18.365 ( -8.026 0.000 1.635) 8.191 18.520 ( -2.508 0.000 -2.273) 3.385 18.716 ( 7.845 -0.000 1.072) 7.918 18.806 ( 10.753 -0.000 -0.476) 10.764 19.880 ( 3.933 -0.000 3.160) 5.045 19.882 ( 2.041 -0.000 -2.167) 2.977 20.382 ( -4.791 0.000 9.090) 10.275 20.605 ( -0.334 0.000 -13.445) 13.449 21.066 ( -8.935 0.000 8.146) 12.091 21.375 ( 1.408 -0.000 -18.710) 18.763 22.007 ( -4.543 0.000 8.785) 9.890 22.140 ( -5.425 0.000 -5.547) 7.759 22.204 ( -1.357 0.000 19.050) 19.098 22.341 ( 4.235 -0.000 -4.806) 6.405 22.482 ( -2.687 0.000 0.477) 2.729 22.566 ( -0.061 0.000 -5.131) 5.132 22.792 ( 6.684 -0.000 0.028) 6.684 22.825 ( 5.845 -0.000 0.318) 5.853 ======================= Grid point 217 (94/102) ======================= q-point: (-0.27 -0.36 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.234 ( -16.432 1.301 6.161) 17.597 1.346 ( -13.540 2.986 -2.920) 14.170 1.477 ( -22.105 -4.064 4.986) 23.022 1.653 ( -4.528 -12.376 -10.046) 16.570 2.116 ( -14.074 -1.600 3.386) 14.564 2.223 ( -6.528 -2.495 -1.603) 7.170 2.335 ( 2.930 4.315 0.953) 5.302 2.452 ( 0.397 -0.639 -3.234) 3.320 2.586 ( -3.489 -4.890 4.578) 7.553 2.611 ( -11.210 -2.364 0.642) 11.475 2.715 ( -0.068 -1.338 -4.468) 4.665 2.808 ( 2.466 -1.408 -0.905) 2.981 2.907 ( -2.421 -0.889 -1.065) 2.790 3.054 ( -2.491 -3.323 0.424) 4.174 3.099 ( -4.438 -2.812 2.775) 5.942 3.270 ( 1.909 1.909 4.763) 5.475 3.385 ( -0.415 -2.144 -3.622) 4.230 3.475 ( 5.744 0.079 0.156) 5.747 3.556 ( -6.302 2.648 3.732) 7.788 3.682 ( 3.690 2.386 -1.426) 4.620 3.698 ( 2.967 2.658 -2.998) 4.986 3.837 ( -0.695 -0.687 -0.067) 0.980 3.864 ( -0.840 1.923 -7.191) 7.491 4.030 ( -7.972 4.312 5.372) 10.536 4.075 ( 7.292 6.108 2.038) 9.727 4.311 ( 2.842 3.484 2.128) 4.974 4.381 ( 4.443 -1.961 -0.380) 4.871 4.524 ( 5.320 1.666 -2.922) 6.294 4.573 ( 1.471 -4.252 0.592) 4.538 4.649 ( 4.476 0.300 -1.130) 4.626 4.709 ( 3.798 4.990 0.724) 6.313 4.980 ( 1.664 2.294 0.448) 2.869 5.017 ( 11.818 -0.905 -1.318) 11.926 5.086 ( 1.465 1.572 -1.139) 2.432 5.114 ( 7.130 -0.907 -0.570) 7.210 5.142 ( 2.238 -10.149 2.715) 10.742 5.253 ( 5.789 -6.301 -2.367) 8.878 5.397 ( -7.368 1.904 1.746) 7.808 5.488 ( 2.245 0.007 5.765) 6.186 5.802 ( 5.716 -5.432 -4.632) 9.146 5.956 ( -6.723 2.562 1.037) 7.269 6.202 ( -2.446 -3.760 -0.095) 4.487 6.253 ( 2.430 1.256 -0.262) 2.748 6.386 ( 0.621 -3.959 -0.586) 4.050 6.799 ( -5.905 0.811 -3.112) 6.724 6.993 ( -6.975 1.017 3.161) 7.725 7.093 ( -3.775 1.232 -0.553) 4.010 7.158 ( -3.968 -1.875 3.760) 5.779 7.588 ( 2.788 2.981 -6.038) 7.288 7.672 ( 3.137 0.658 -5.072) 5.999 7.940 ( -0.004 3.410 -2.700) 4.350 8.051 ( -5.164 -2.891 -0.994) 6.001 8.139 ( 2.430 5.957 5.894) 8.725 8.334 ( 4.415 -3.441 1.416) 5.774 8.399 ( 0.513 -1.651 5.155) 5.437 8.603 ( 5.475 9.738 -0.753) 11.197 8.935 ( 1.215 0.420 -1.010) 1.635 9.021 ( 1.580 -0.771 0.732) 1.905 9.574 ( 6.545 6.148 -3.586) 9.669 9.677 ( -11.598 -0.371 9.365) 14.911 9.819 ( 3.523 6.745 -6.496) 10.005 9.935 ( 3.829 4.717 -5.556) 8.233 10.228 ( -4.304 -3.683 5.725) 8.054 10.340 ( -1.450 1.121 -3.394) 3.857 10.450 ( -0.919 2.059 -0.094) 2.257 10.709 ( 1.454 -0.914 -1.323) 2.168 11.002 ( -6.459 5.927 1.176) 8.845 11.157 ( -0.736 2.053 0.791) 2.320 11.345 ( -9.143 -3.782 -0.258) 9.898 11.505 ( -5.552 -5.551 1.722) 8.038 11.645 ( -4.209 -0.825 -0.102) 4.290 11.772 ( -1.046 2.398 -0.401) 2.647 12.051 ( 2.896 1.298 -0.432) 3.203 12.124 ( 1.097 -2.256 0.338) 2.531 12.820 ( 0.865 -0.946 -0.889) 1.560 12.856 ( 2.083 -2.537 0.452) 3.314 13.135 ( -11.122 13.060 1.197) 17.196 13.314 ( -10.963 13.599 -0.222) 17.469 13.668 ( 7.244 2.279 -0.805) 7.636 13.751 ( 5.136 2.557 0.058) 5.738 15.936 ( 8.577 1.351 -3.139) 9.233 16.096 ( 15.110 -0.554 4.111) 15.670 17.608 ( -9.876 6.742 0.246) 11.960 17.795 ( -4.506 -1.746 -0.212) 4.837 18.121 ( -13.942 8.455 0.160) 16.306 18.694 ( 0.545 -5.060 -0.746) 5.144 18.775 ( 8.031 0.748 0.513) 8.083 18.978 ( 15.084 -12.913 0.168) 19.857 19.777 ( 2.062 10.963 -3.040) 11.562 19.795 ( 4.591 11.213 3.714) 12.672 20.239 ( -9.910 13.872 4.889) 17.735 20.452 ( -1.999 12.189 -8.737) 15.130 21.094 ( -10.276 -7.992 5.465) 14.118 21.382 ( -2.062 -4.947 -14.724) 15.669 21.875 ( -9.229 5.863 8.337) 13.749 22.035 ( -4.573 -0.472 3.559) 5.814 22.328 ( 3.731 1.343 -3.002) 4.973 22.444 ( -0.296 1.166 -1.530) 1.947 22.582 ( 8.192 -18.379 2.776) 20.312 22.620 ( -0.278 -7.215 2.070) 7.512 22.869 ( 6.436 -2.638 -1.783) 7.180 22.905 ( 5.909 -4.232 0.664) 7.298 ======================= Grid point 218 (95/102) ======================= q-point: (-0.18 -0.36 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.157 ( -14.407 -4.841 3.207) 15.533 1.248 ( -11.957 -3.812 -1.171) 12.604 1.444 ( -17.975 -8.801 2.983) 20.235 1.843 ( -4.885 -13.367 -4.566) 14.946 2.072 ( -10.492 -3.309 -0.094) 11.002 2.199 ( -5.201 7.563 -1.565) 9.311 2.248 ( -9.324 -6.857 -0.146) 11.574 2.483 ( -2.565 -4.377 -3.724) 6.293 2.596 ( -12.555 -6.413 3.295) 14.478 2.629 ( -2.062 -0.717 1.769) 2.810 2.744 ( -0.143 -2.054 0.341) 2.087 2.846 ( -3.473 -1.770 2.295) 4.523 2.934 ( 2.694 -2.339 -2.554) 4.387 3.101 ( 0.929 -4.127 -3.166) 5.284 3.182 ( 0.004 -5.163 2.528) 5.749 3.252 ( -1.994 1.182 3.936) 4.567 3.358 ( -0.395 3.218 -2.746) 4.249 3.452 ( -1.970 4.273 3.758) 6.022 3.566 ( 5.850 -4.984 -1.019) 7.753 3.638 ( 0.792 4.357 -3.740) 5.797 3.697 ( 3.068 -0.292 0.385) 3.105 3.781 ( -0.864 5.119 -3.635) 6.338 3.836 ( 2.584 2.503 -2.024) 4.128 3.920 ( -1.001 2.904 2.189) 3.772 4.049 ( 1.707 0.534 3.578) 4.000 4.257 ( 2.390 4.436 2.576) 5.659 4.396 ( 5.752 5.896 -1.401) 8.356 4.533 ( 3.437 -0.342 -1.658) 3.831 4.620 ( 0.871 0.300 2.130) 2.321 4.691 ( 4.201 -3.943 -0.205) 5.765 4.760 ( 10.981 -0.104 -1.677) 11.108 4.941 ( -2.657 1.133 0.407) 2.917 5.016 ( -2.583 2.945 -1.673) 4.260 5.105 ( 10.624 -0.174 0.012) 10.625 5.176 ( 5.457 -0.441 -0.417) 5.490 5.327 ( -0.919 -0.016 -1.741) 1.968 5.373 ( 3.239 -6.671 1.051) 7.489 5.398 ( 1.362 -8.307 0.717) 8.448 5.561 ( 4.094 -3.261 4.553) 6.937 5.807 ( -4.259 2.162 -0.994) 4.879 5.971 ( 1.824 -3.315 -1.384) 4.029 6.191 ( -2.243 0.511 2.526) 3.416 6.307 ( -2.279 -4.900 -1.525) 5.615 6.428 ( -2.190 -1.362 -1.773) 3.130 6.719 ( -8.303 2.582 -0.377) 8.703 6.942 ( -4.073 -0.445 -0.793) 4.173 7.042 ( -6.317 0.292 0.928) 6.391 7.167 ( -2.282 0.052 4.585) 5.122 7.526 ( -2.566 4.769 -1.169) 5.540 7.585 ( -0.207 6.759 -7.542) 10.130 7.902 ( 4.574 2.316 -2.062) 5.526 8.043 ( -3.615 1.210 2.693) 4.668 8.090 ( -0.444 0.613 1.324) 1.525 8.379 ( 6.237 3.028 -3.609) 7.816 8.423 ( -1.482 1.424 0.616) 2.146 8.502 ( 3.498 3.670 2.453) 5.632 8.881 ( -0.087 2.224 2.864) 3.627 9.088 ( 3.015 -1.533 0.915) 3.504 9.440 ( 3.537 11.220 -2.067) 11.944 9.573 ( -6.129 5.917 4.681) 9.721 9.693 ( -1.645 8.635 2.650) 9.181 9.845 ( -0.309 2.033 -12.729) 12.894 10.233 ( -5.259 0.389 5.079) 7.322 10.368 ( -0.426 -3.818 1.659) 4.184 10.458 ( 5.286 -2.621 -3.694) 6.961 10.728 ( 0.868 -0.688 0.197) 1.125 10.867 ( -5.848 3.654 0.203) 6.899 11.106 ( -1.423 1.779 1.848) 2.933 11.367 ( -6.446 -3.224 -0.612) 7.233 11.514 ( -8.693 0.155 -0.174) 8.696 11.589 ( -2.362 3.397 1.577) 4.428 11.699 ( -5.580 3.563 -0.399) 6.632 12.066 ( 4.671 0.437 -0.135) 4.694 12.171 ( 1.932 -1.472 0.001) 2.429 12.707 ( -13.013 12.133 -0.305) 17.794 12.846 ( -9.537 6.865 0.588) 11.765 12.948 ( 0.905 1.306 0.745) 1.755 12.975 ( -1.849 5.878 -0.448) 6.178 13.688 ( 6.650 2.735 -0.962) 7.254 13.705 ( 5.950 5.955 0.284) 8.423 15.967 ( 6.394 0.714 -2.592) 6.936 16.161 ( 8.184 4.314 3.135) 9.768 17.466 ( -5.542 0.857 -0.089) 5.609 17.813 ( -2.174 -3.338 -0.815) 4.066 17.942 ( -12.902 0.273 0.524) 12.915 18.682 ( 0.569 4.684 1.643) 4.996 18.788 ( 7.728 4.826 -0.729) 9.140 19.289 ( 9.939 -0.949 0.210) 9.986 19.616 ( 1.855 8.775 0.420) 8.978 19.651 ( 4.274 8.237 1.690) 9.433 19.836 ( -8.779 10.697 -4.203) 14.462 20.182 ( -1.719 14.750 -0.769) 14.870 21.141 ( -13.544 -4.320 1.699) 14.317 21.437 ( -7.063 -7.334 -3.690) 10.830 21.822 ( -2.795 -3.365 1.134) 4.519 22.047 ( -5.272 -3.495 4.328) 7.664 22.299 ( 3.998 3.689 -2.240) 5.883 22.426 ( -0.199 0.812 -1.839) 2.020 22.724 ( 1.210 -5.395 3.575) 6.584 22.923 ( 6.027 -5.010 -5.656) 9.665 23.020 ( 11.233 -11.156 2.305) 15.999 23.057 ( 6.284 -6.957 1.347) 9.471 ======================= Grid point 219 (96/102) ======================= q-point: (-0.09 -0.36 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.212 ( -9.725 -11.298 -4.034) 15.443 1.308 ( -9.959 -11.528 2.207) 15.393 1.545 ( -10.647 -13.425 0.762) 17.152 1.946 ( -6.610 3.604 9.143) 11.844 2.056 ( -8.753 -4.435 -7.508) 12.355 2.104 ( -1.091 -6.024 0.027) 6.122 2.356 ( -11.319 -12.042 0.398) 16.531 2.493 ( 0.643 4.396 -4.097) 6.043 2.585 ( -8.477 -4.508 2.606) 9.949 2.677 ( -5.957 -5.238 0.199) 7.935 2.790 ( 2.009 -3.406 -4.149) 5.732 2.843 ( -4.778 -2.728 6.136) 8.241 3.011 ( 4.446 -1.353 -2.440) 5.249 3.156 ( -1.933 -2.960 -0.426) 3.561 3.211 ( -1.491 0.943 -2.284) 2.886 3.275 ( 0.385 -4.250 1.435) 4.502 3.323 ( 2.090 1.140 0.913) 2.550 3.414 ( -1.416 0.064 3.131) 3.437 3.514 ( 1.992 8.055 -4.614) 9.494 3.665 ( -4.166 3.789 1.718) 5.888 3.729 ( 2.749 0.916 -0.958) 3.052 3.730 ( 7.320 -6.252 -1.177) 9.698 3.786 ( 3.482 2.876 -1.831) 4.873 3.911 ( 3.399 1.249 0.848) 3.720 4.111 ( -1.702 -4.887 4.027) 6.557 4.219 ( 1.934 2.325 2.356) 3.833 4.304 ( 2.812 5.291 0.299) 5.999 4.541 ( 1.989 1.963 -2.442) 3.712 4.605 ( 4.711 4.653 0.862) 6.677 4.760 ( 2.422 -0.454 0.456) 2.506 4.813 ( 3.664 0.095 -4.816) 6.052 4.920 ( -2.428 -1.412 1.729) 3.298 5.022 ( 3.735 -3.566 0.059) 5.164 5.183 ( 6.871 -0.361 -1.092) 6.967 5.197 ( 0.240 -0.302 1.108) 1.173 5.319 ( 2.292 -0.393 -1.659) 2.856 5.443 ( 1.500 -0.046 -1.814) 2.354 5.565 ( -1.039 -7.123 2.982) 7.792 5.652 ( 4.180 -1.858 2.228) 5.088 5.768 ( -2.756 -2.069 -0.180) 3.451 6.001 ( 2.919 1.820 -0.142) 3.443 6.198 ( -0.969 -2.248 2.887) 3.785 6.370 ( -5.633 -5.902 -1.026) 8.223 6.408 ( -6.164 -0.966 -2.437) 6.698 6.571 ( -12.531 4.733 0.644) 13.411 6.953 ( 0.462 -2.163 -3.925) 4.505 6.988 ( -8.116 0.960 4.632) 9.394 7.086 ( -4.027 7.646 0.380) 8.650 7.391 ( -3.156 3.747 -0.798) 4.964 7.463 ( -2.272 6.482 -4.091) 7.995 7.900 ( 5.508 0.985 -2.640) 6.187 8.001 ( -1.227 2.426 7.344) 7.831 8.079 ( -6.235 -1.579 -2.388) 6.860 8.284 ( -10.147 6.433 -3.834) 12.611 8.359 ( 10.801 5.089 -2.691) 12.240 8.499 ( 2.600 1.810 1.742) 3.615 8.911 ( 4.822 -1.583 4.494) 6.779 9.082 ( -0.336 2.933 1.268) 3.213 9.244 ( 3.280 12.698 2.812) 13.413 9.468 ( 5.272 2.868 -2.527) 6.512 9.575 ( -9.814 1.634 7.760) 12.617 9.777 ( 0.397 3.356 -12.121) 12.583 10.200 ( -3.434 -0.249 2.734) 4.396 10.443 ( -2.965 -5.856 0.142) 6.565 10.568 ( 5.774 -4.605 -1.701) 7.579 10.739 ( -2.029 0.320 -0.502) 2.115 10.822 ( 1.989 -1.646 0.239) 2.592 11.088 ( -1.331 0.020 3.100) 3.373 11.326 ( -5.481 2.424 -1.289) 6.130 11.379 ( -10.699 5.494 2.150) 12.218 11.532 ( -1.395 5.590 -0.014) 5.761 11.546 ( -5.055 4.497 -1.095) 6.854 12.080 ( 3.935 2.255 -0.215) 4.541 12.187 ( 1.179 1.746 -0.018) 2.107 12.467 ( -6.522 4.357 0.050) 7.844 12.553 ( -11.465 8.669 -0.108) 14.374 12.972 ( 1.175 -2.617 0.776) 2.972 13.023 ( 0.831 -3.541 -0.608) 3.688 13.597 ( 4.430 8.578 0.044) 9.655 13.694 ( 5.907 3.475 -0.235) 6.858 15.989 ( 3.383 0.384 -2.199) 4.053 16.099 ( -0.262 5.291 2.363) 5.801 17.491 ( 2.080 -3.715 -0.403) 4.277 17.879 ( -1.036 -5.810 -2.458) 6.393 17.922 ( -4.769 -4.756 2.394) 7.148 18.560 ( -5.997 7.933 3.096) 10.416 18.705 ( 7.866 10.009 -1.939) 12.877 19.165 ( -2.749 10.167 0.879) 10.569 19.351 ( -8.720 10.062 -2.248) 13.503 19.509 ( 1.555 6.706 0.703) 6.920 19.904 ( 2.780 11.952 -2.137) 12.456 20.029 ( 14.015 -8.273 0.966) 16.303 21.061 ( -14.130 -0.017 0.577) 14.142 21.526 ( -7.511 -8.562 0.629) 11.407 21.914 ( 1.278 -6.580 -2.607) 7.192 22.077 ( -4.032 -2.185 3.061) 5.514 22.268 ( 2.085 1.968 1.583) 3.275 22.395 ( 1.070 2.095 -4.342) 4.938 22.824 ( -0.751 -4.274 6.752) 8.026 22.989 ( 4.116 -1.183 -6.018) 7.387 23.211 ( 4.536 -5.127 2.062) 7.149 23.266 ( 10.743 -5.358 -1.218) 12.067 ======================= Grid point 228 (97/102) ======================= q-point: (-0.27 -0.27 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 102 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.117 ( -21.955 0.000 7.907) 23.335 1.252 ( -25.140 0.000 6.078) 25.864 1.365 ( -5.256 0.000 -7.633) 9.268 1.397 ( -11.869 0.000 -9.841) 15.418 1.984 ( -17.227 0.000 4.362) 17.771 2.089 ( -24.787 0.000 1.067) 24.809 2.271 ( -15.906 0.000 -2.793) 16.149 2.431 ( -11.623 0.000 3.189) 12.052 2.549 ( 4.147 -0.000 6.994) 8.131 2.596 ( 6.945 -0.000 -4.165) 8.098 2.716 ( 3.862 -0.000 -6.344) 7.427 2.781 ( 2.370 -0.000 -8.899) 9.209 2.929 ( -9.180 0.000 9.708) 13.361 2.990 ( 10.548 -0.000 -2.392) 10.816 3.050 ( -5.713 0.000 2.204) 6.123 3.324 ( 3.169 -0.000 4.052) 5.144 3.336 ( -1.922 0.000 -1.573) 2.483 3.529 ( 5.513 -0.000 1.699) 5.769 3.533 ( -4.961 0.000 -1.188) 5.101 3.709 ( 3.736 -0.000 -0.112) 3.738 3.782 ( 3.593 -0.000 -4.368) 5.656 3.833 ( -3.880 0.000 -7.915) 8.814 3.834 ( 1.111 -0.000 2.891) 3.097 4.017 ( -6.892 0.000 2.966) 7.503 4.246 ( 7.655 -0.000 5.482) 9.416 4.299 ( -0.625 0.000 3.032) 3.096 4.413 ( 5.224 -0.000 0.880) 5.298 4.518 ( 4.014 -0.000 -2.112) 4.536 4.633 ( 8.918 -0.000 -7.813) 11.856 4.695 ( 7.954 -0.000 2.928) 8.475 4.828 ( 0.134 -0.000 0.911) 0.921 4.933 ( 3.584 -0.000 -0.758) 3.663 5.050 ( 3.304 -0.000 3.056) 4.500 5.083 ( 0.846 -0.000 -4.086) 4.173 5.138 ( 0.674 -0.000 -0.900) 1.124 5.187 ( 11.207 -0.000 -0.056) 11.207 5.219 ( 8.910 -0.000 -1.913) 9.113 5.358 ( -4.916 0.000 2.213) 5.391 5.558 ( 1.541 -0.000 11.370) 11.474 5.765 ( 8.261 -0.000 -10.311) 13.212 5.921 ( -10.279 0.000 2.186) 10.508 6.170 ( 3.114 -0.000 -2.566) 4.035 6.277 ( -3.711 0.000 4.731) 6.013 6.376 ( 8.474 -0.000 -3.789) 9.282 6.758 ( -5.174 0.000 -2.776) 5.872 6.943 ( -9.449 0.000 1.735) 9.607 7.063 ( -9.671 0.000 2.713) 10.045 7.121 ( -1.118 0.000 1.119) 1.582 7.633 ( -3.576 0.000 1.678) 3.950 7.666 ( 6.320 -0.000 -15.481) 16.721 7.965 ( -8.860 0.000 1.883) 9.058 7.973 ( 1.227 -0.000 -4.237) 4.411 8.221 ( 0.203 -0.000 -0.859) 0.882 8.328 ( 3.901 -0.000 11.182) 11.843 8.411 ( 3.789 -0.000 3.750) 5.332 8.783 ( 8.413 -0.000 0.180) 8.415 8.907 ( 1.056 -0.000 -2.050) 2.306 9.018 ( -3.580 0.000 1.816) 4.014 9.605 ( -12.832 0.000 10.364) 16.495 9.652 ( 0.039 -0.000 -4.990) 4.990 9.824 ( 1.039 -0.000 -13.906) 13.945 10.105 ( 15.820 -0.000 -1.353) 15.878 10.169 ( -1.420 0.000 5.545) 5.724 10.343 ( -0.565 0.000 -4.754) 4.788 10.466 ( -0.638 0.000 1.805) 1.914 10.710 ( 2.300 -0.000 -2.751) 3.585 11.080 ( -3.882 0.000 -1.163) 4.052 11.094 ( -5.202 0.000 1.692) 5.470 11.253 ( -8.677 0.000 -5.873) 10.477 11.423 ( -2.339 0.000 11.243) 11.484 11.601 ( -2.640 0.000 0.172) 2.645 11.778 ( -4.526 0.000 -1.868) 4.896 12.094 ( 0.573 -0.000 1.771) 1.862 12.107 ( 5.714 -0.000 -1.591) 5.931 12.818 ( -0.630 0.000 -0.219) 0.667 12.851 ( 3.042 -0.000 -0.060) 3.043 13.180 ( -11.960 0.000 2.889) 12.304 13.367 ( -9.432 0.000 -3.702) 10.132 13.757 ( 4.721 -0.000 0.113) 4.722 13.784 ( 4.831 -0.000 -0.172) 4.834 16.005 ( 8.213 -0.000 -6.997) 10.789 16.242 ( 20.763 -0.000 8.804) 22.552 17.612 ( -10.381 0.000 1.257) 10.457 17.722 ( -6.373 0.000 -0.976) 6.447 18.253 ( -8.516 0.000 2.533) 8.885 18.460 ( -3.515 0.000 -6.043) 6.991 18.855 ( 9.762 -0.000 2.206) 10.008 18.978 ( 12.827 -0.000 -0.785) 12.851 19.881 ( -0.988 0.000 -4.085) 4.203 19.959 ( 3.783 -0.000 4.720) 6.049 20.323 ( -7.570 0.000 6.320) 9.862 20.554 ( 0.302 -0.000 -9.163) 9.168 20.930 ( -13.205 0.000 5.916) 14.470 21.278 ( -2.814 0.000 -23.377) 23.546 21.968 ( -4.547 0.000 4.968) 6.735 22.037 ( -5.269 0.000 -3.783) 6.486 22.281 ( -0.704 0.000 22.951) 22.962 22.395 ( 3.991 -0.000 -1.791) 4.374 22.465 ( 0.331 -0.000 3.116) 3.134 22.567 ( 4.677 -0.000 -7.391) 8.747 22.893 ( 6.900 -0.000 -0.652) 6.930 22.909 ( 5.179 -0.000 0.158) 5.182 ======================= Grid point 229 (98/102) ======================= q-point: (-0.18 -0.27 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.986 ( -20.620 -1.687 9.133) 22.615 1.115 ( -18.703 -3.141 1.025) 18.992 1.203 ( -13.140 0.173 -3.644) 13.637 1.521 ( -7.009 -14.688 -8.735) 18.470 1.902 ( -18.807 -4.623 1.817) 19.452 1.950 ( -26.577 -8.543 3.002) 28.077 2.136 ( -21.570 -1.681 -2.617) 21.793 2.401 ( -6.900 -2.399 0.318) 7.312 2.566 ( 7.936 3.620 0.905) 8.769 2.631 ( -2.168 3.751 -2.085) 4.808 2.655 ( -4.392 -4.637 0.541) 6.410 2.838 ( 2.486 0.983 -0.098) 2.675 2.912 ( -1.058 -2.603 1.642) 3.254 3.027 ( -1.707 -2.860 -1.940) 3.854 3.113 ( 8.141 -3.612 0.717) 8.935 3.315 ( 1.199 3.802 1.601) 4.296 3.366 ( -0.273 -2.397 0.672) 2.505 3.487 ( -2.193 0.390 -0.475) 2.277 3.538 ( -0.163 0.902 1.584) 1.830 3.726 ( 3.511 2.633 -0.934) 4.487 3.746 ( 4.433 3.578 -3.658) 6.770 3.823 ( 0.175 -1.746 -5.990) 6.241 3.848 ( 1.096 -0.158 0.632) 1.275 3.959 ( -2.815 2.553 1.778) 4.195 4.172 ( 2.372 7.675 6.023) 10.040 4.336 ( -1.113 1.961 3.676) 4.313 4.486 ( 8.701 -2.452 -0.625) 9.062 4.555 ( 2.273 0.651 -0.687) 2.462 4.639 ( 7.975 3.072 -4.326) 9.579 4.702 ( 4.414 1.549 -0.662) 4.725 4.848 ( 10.727 -0.257 -0.554) 10.745 4.968 ( -2.693 4.626 0.549) 5.381 5.034 ( -3.667 -0.216 -1.430) 3.942 5.142 ( 2.463 -3.090 0.898) 4.052 5.196 ( 5.857 -5.123 -1.319) 7.893 5.259 ( 7.371 -3.048 1.424) 8.102 5.297 ( 1.261 -1.543 0.276) 2.012 5.370 ( 6.889 -1.488 -3.023) 7.669 5.573 ( 2.399 0.050 8.684) 9.009 5.814 ( -2.697 1.530 -2.550) 4.014 5.893 ( 1.075 -4.999 -2.808) 5.834 6.173 ( -1.579 0.321 -0.637) 1.732 6.268 ( -0.070 0.086 2.799) 2.801 6.423 ( 4.031 0.592 -3.698) 5.502 6.698 ( -7.851 2.013 -0.117) 8.106 6.883 ( -6.918 -1.206 -0.922) 7.082 6.992 ( -9.279 0.087 1.924) 9.477 7.134 ( -2.216 -2.335 2.088) 3.837 7.561 ( -6.272 3.047 0.429) 6.986 7.647 ( -1.730 3.003 -10.436) 10.996 7.926 ( -3.427 -2.298 -3.044) 5.127 7.969 ( -1.690 0.152 -2.986) 3.435 8.190 ( 1.968 4.187 3.171) 5.609 8.364 ( -2.941 0.070 8.079) 8.598 8.477 ( 7.908 -1.258 -0.499) 8.022 8.694 ( 6.628 10.488 0.158) 12.408 8.918 ( -3.769 1.970 3.374) 5.428 9.050 ( 1.791 -4.992 -0.748) 5.356 9.521 ( -12.072 1.185 5.716) 13.409 9.580 ( -5.014 3.043 -0.953) 5.942 9.825 ( 6.390 0.388 -15.348) 16.630 10.010 ( 3.191 15.875 -0.296) 16.195 10.224 ( 0.872 0.158 1.925) 2.120 10.356 ( 5.899 -0.266 2.640) 6.468 10.471 ( 5.227 -0.158 -2.025) 5.608 10.725 ( 1.272 -0.485 -1.048) 1.718 10.905 ( -6.670 6.459 0.785) 9.318 11.122 ( -3.521 1.687 -2.294) 4.529 11.229 ( -6.201 -6.399 -0.434) 8.921 11.446 ( -5.335 -1.424 2.840) 6.209 11.618 ( 0.532 -0.233 7.299) 7.322 11.699 ( -7.180 2.439 -3.783) 8.474 12.105 ( 3.104 0.025 0.774) 3.199 12.165 ( 5.348 -1.294 -0.857) 5.568 12.769 ( -8.828 4.572 0.499) 9.954 12.871 ( -1.367 1.120 -0.449) 1.823 13.016 ( -4.548 7.426 1.690) 8.871 13.122 ( -13.473 13.370 -2.291) 19.118 13.769 ( 6.653 1.374 -0.961) 6.861 13.821 ( 4.244 1.838 0.058) 4.626 16.028 ( 6.079 1.407 -6.487) 9.001 16.360 ( 15.813 7.192 8.379) 19.287 17.470 ( -8.181 5.284 0.355) 9.746 17.717 ( -5.219 -3.830 -1.524) 6.650 17.913 ( -13.808 10.167 -0.063) 17.147 18.688 ( -1.125 -7.776 -2.466) 8.235 18.913 ( 9.932 2.179 1.277) 10.248 19.219 ( 17.384 -15.155 -0.368) 23.065 19.770 ( -1.400 8.082 -4.211) 9.220 19.878 ( 3.968 10.600 3.781) 11.933 20.046 ( -17.439 21.994 0.608) 28.075 20.409 ( -0.341 11.737 -2.834) 12.079 20.938 ( -12.636 -7.624 2.876) 15.035 21.244 ( -8.296 -5.392 -15.205) 18.141 21.796 ( -5.976 5.096 7.950) 11.175 21.981 ( -4.302 -0.479 2.083) 4.804 22.370 ( 3.179 1.364 -2.309) 4.159 22.419 ( -2.143 -0.230 0.916) 2.342 22.649 ( 3.971 -5.960 0.831) 7.209 22.774 ( 14.823 -19.999 2.331) 25.002 22.958 ( 6.553 -3.182 -0.220) 7.288 22.993 ( 5.577 -4.781 0.477) 7.361 ======================= Grid point 230 (99/102) ======================= q-point: (-0.09 -0.27 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.948 ( -13.921 -8.021 0.391) 16.071 1.076 ( -10.686 -5.119 -1.895) 11.999 1.214 ( -14.092 -12.771 3.035) 19.259 1.724 ( -8.126 -14.634 -3.713) 17.146 1.925 ( -11.269 -11.188 0.161) 15.881 2.008 ( -19.840 -12.482 -1.567) 23.492 2.017 ( -14.966 -2.373 4.979) 15.951 2.372 ( -12.981 -3.014 6.176) 14.688 2.537 ( 6.633 1.328 -9.527) 11.684 2.616 ( -1.122 -0.391 -1.854) 2.202 2.729 ( -1.834 -3.425 0.300) 3.896 2.785 ( -5.416 -0.937 1.745) 5.767 2.963 ( -1.029 -3.687 1.182) 4.006 3.086 ( -2.922 -3.041 -0.146) 4.219 3.223 ( 5.845 -0.925 -3.169) 6.713 3.253 ( 2.743 0.869 1.381) 3.192 3.373 ( 1.506 1.285 2.427) 3.132 3.451 ( -1.463 3.471 2.710) 4.640 3.589 ( 0.102 -2.722 -1.272) 3.006 3.664 ( 4.198 1.975 -4.864) 6.722 3.751 ( 2.079 1.949 3.180) 4.270 3.778 ( 3.285 2.972 -5.400) 6.984 3.879 ( 4.160 2.937 -1.768) 5.391 3.941 ( 3.478 -1.764 0.574) 3.941 4.085 ( -0.257 3.226 5.810) 6.651 4.282 ( 0.453 3.076 2.829) 4.203 4.466 ( 2.402 9.073 -0.472) 9.398 4.564 ( 2.862 -0.544 -0.792) 3.019 4.666 ( 5.291 -0.255 -0.693) 5.342 4.764 ( 3.044 -1.483 -0.222) 3.394 4.861 ( -5.105 -0.547 3.307) 6.107 4.890 ( 2.190 5.510 -5.473) 8.069 5.010 ( 5.264 -1.494 -1.011) 5.564 5.178 ( -1.650 -1.366 2.209) 3.077 5.274 ( 9.572 2.839 -2.408) 10.271 5.341 ( 5.920 -1.707 -1.288) 6.294 5.404 ( -1.219 -5.198 3.009) 6.129 5.469 ( 7.441 -4.014 -3.392) 9.110 5.633 ( -0.318 -3.524 7.103) 7.935 5.748 ( -0.876 2.121 -2.436) 3.346 5.993 ( 2.026 -4.289 -2.357) 5.297 6.156 ( -3.959 -1.138 1.272) 4.311 6.262 ( -5.049 -0.422 3.046) 5.912 6.396 ( -0.280 2.043 -3.276) 3.871 6.558 ( -12.586 4.300 0.739) 13.321 6.892 ( -1.267 -2.840 -3.910) 4.996 6.937 ( -8.044 -0.467 3.398) 8.745 7.146 ( -4.556 1.418 2.444) 5.361 7.416 ( -10.365 4.419 0.463) 11.278 7.537 ( -1.753 5.038 -10.034) 11.364 7.931 ( -5.414 0.087 0.227) 5.419 7.954 ( -1.858 -2.470 -3.903) 4.979 8.117 ( 0.860 5.368 4.605) 7.124 8.288 ( -8.580 4.221 -0.025) 9.562 8.534 ( 11.863 3.520 -6.712) 14.078 8.587 ( 3.850 5.705 5.274) 8.671 8.916 ( 2.111 -2.103 5.391) 6.160 9.108 ( -0.576 -0.312 -0.107) 0.664 9.431 ( -3.366 2.713 -1.640) 4.624 9.499 ( -5.540 3.183 7.448) 9.813 9.679 ( -2.759 15.500 1.675) 15.833 9.812 ( 2.538 2.101 -12.119) 12.559 10.199 ( -0.368 2.209 1.344) 2.611 10.375 ( -0.311 0.295 1.411) 1.475 10.555 ( 7.702 -2.368 -0.112) 8.059 10.733 ( -0.744 0.217 -0.475) 0.909 10.814 ( 0.092 0.178 -0.633) 0.664 11.079 ( -2.453 -0.228 1.661) 2.971 11.276 ( -5.792 -2.743 -0.485) 6.427 11.387 ( -8.229 2.721 1.033) 8.729 11.581 ( -5.039 2.870 -2.966) 6.514 11.597 ( -3.008 4.431 5.257) 7.505 12.135 ( 3.926 0.230 -0.130) 3.935 12.219 ( 5.208 -0.223 -0.950) 5.299 12.521 ( -11.402 8.639 0.131) 14.306 12.627 ( -17.272 11.463 -0.384) 20.733 12.968 ( 1.177 0.648 1.581) 2.075 12.989 ( 1.975 -1.184 -1.079) 2.543 13.761 ( 3.509 5.607 0.635) 6.645 13.797 ( 6.168 3.388 -1.344) 7.165 16.024 ( 3.380 1.408 -4.823) 6.055 16.233 ( -2.432 11.022 5.919) 12.745 17.439 ( 2.729 -4.081 -0.297) 4.918 17.757 ( -3.559 -4.360 -2.632) 6.213 17.802 ( -6.273 -4.523 2.158) 8.029 18.657 ( -6.503 6.049 0.396) 8.890 18.920 ( 10.141 6.069 -0.070) 11.818 19.369 ( -0.782 13.257 -0.058) 13.280 19.493 ( -13.175 15.996 -1.347) 20.767 19.649 ( -0.003 7.114 -2.423) 7.515 19.930 ( 15.458 -11.570 1.435) 19.362 20.173 ( 1.234 13.779 0.085) 13.834 20.938 ( -13.587 -2.547 0.526) 13.834 21.288 ( -11.328 -9.871 -2.853) 15.294 21.803 ( -0.657 -5.368 1.685) 5.665 21.989 ( -4.401 -3.353 2.235) 5.967 22.338 ( 2.164 3.182 -0.767) 3.924 22.413 ( -0.147 0.226 -2.133) 2.150 22.772 ( 2.327 -3.911 5.470) 7.116 22.980 ( 5.046 -2.116 -6.163) 8.241 23.144 ( 5.538 -6.747 2.110) 8.981 23.236 ( 15.509 -9.481 -1.062) 18.208 ======================= Grid point 241 (100/102) ======================= q-point: (-0.18 -0.18 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 102 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.831 ( -22.044 0.000 10.753) 24.527 0.901 ( -26.010 0.000 9.395) 27.655 1.178 ( -10.863 0.000 -11.845) 16.072 1.276 ( -0.361 0.000 -11.593) 11.599 1.576 ( -42.239 0.000 9.994) 43.405 1.733 ( -19.223 0.000 -2.735) 19.417 1.968 ( -17.176 0.000 -4.741) 17.818 2.350 ( -2.639 0.000 -1.300) 2.942 2.533 ( -11.106 0.000 6.140) 12.690 2.559 ( -5.507 0.000 -4.728) 7.258 2.814 ( -1.401 0.000 5.825) 5.991 2.832 ( 7.009 -0.000 0.548) 7.030 2.895 ( 8.904 -0.000 -0.920) 8.952 2.971 ( -4.384 0.000 -0.496) 4.412 3.168 ( 12.453 -0.000 -1.801) 12.582 3.318 ( -0.560 0.000 0.182) 0.588 3.389 ( 3.177 -0.000 3.033) 4.392 3.462 ( -2.167 0.000 -5.586) 5.991 3.558 ( -2.990 0.000 2.422) 3.848 3.743 ( -3.935 0.000 -6.256) 7.391 3.788 ( 5.964 -0.000 0.559) 5.990 3.797 ( 1.373 -0.000 -3.507) 3.767 3.860 ( 0.943 -0.000 2.742) 2.900 3.970 ( -0.554 0.000 -0.295) 0.628 4.292 ( -5.660 0.000 10.728) 12.130 4.323 ( 3.268 -0.000 -1.077) 3.441 4.540 ( 9.675 -0.000 1.282) 9.760 4.590 ( 7.147 -0.000 -2.793) 7.674 4.715 ( 5.710 -0.000 -5.510) 7.935 4.794 ( 3.749 -0.000 0.808) 3.835 4.892 ( 9.220 -0.000 -5.066) 10.520 4.961 ( -2.143 0.000 0.502) 2.201 5.070 ( -3.181 0.000 3.390) 4.649 5.087 ( 3.054 -0.000 -0.696) 3.132 5.173 ( 7.365 -0.000 -3.837) 8.305 5.253 ( 1.525 -0.000 1.848) 2.396 5.344 ( 8.790 -0.000 -1.406) 8.902 5.408 ( 8.107 -0.000 -2.235) 8.410 5.593 ( -5.831 0.000 12.081) 13.415 5.830 ( 5.964 -0.000 -8.449) 10.343 5.832 ( -0.651 0.000 0.456) 0.795 6.178 ( -1.029 0.000 -1.786) 2.061 6.289 ( 2.766 -0.000 2.673) 3.847 6.463 ( 4.083 -0.000 -5.113) 6.544 6.678 ( -5.374 0.000 2.319) 5.853 6.795 ( -10.189 0.000 -1.139) 10.252 6.927 ( -7.930 0.000 -0.255) 7.934 7.079 ( -5.677 0.000 0.454) 5.695 7.521 ( -15.206 0.000 7.062) 16.766 7.636 ( -1.224 0.000 -14.687) 14.737 7.851 ( -4.286 0.000 -4.209) 6.007 7.955 ( -2.886 0.000 -5.911) 6.578 8.250 ( 3.746 -0.000 2.807) 4.681 8.392 ( -1.538 0.000 11.133) 11.239 8.520 ( 10.345 -0.000 -2.151) 10.566 8.880 ( -4.819 0.000 9.707) 10.837 8.892 ( -1.849 0.000 -1.311) 2.266 8.973 ( 4.152 -0.000 -2.477) 4.835 9.457 ( -11.989 0.000 9.688) 15.413 9.542 ( -7.019 0.000 -6.769) 9.751 9.840 ( 5.189 -0.000 -13.001) 13.998 10.221 ( 2.698 -0.000 -11.181) 11.502 10.234 ( 7.216 -0.000 3.929) 8.216 10.450 ( 14.934 -0.000 4.211) 15.516 10.507 ( 6.302 -0.000 -1.040) 6.387 10.724 ( 1.200 -0.000 -2.599) 2.862 11.012 ( -5.879 0.000 0.541) 5.904 11.018 ( -3.892 0.000 -1.032) 4.026 11.126 ( -4.580 0.000 -6.456) 7.915 11.404 ( -5.231 0.000 2.670) 5.873 11.651 ( -9.927 0.000 -4.347) 10.837 11.670 ( 8.720 -0.000 13.855) 16.371 12.122 ( 2.547 -0.000 0.839) 2.681 12.203 ( 7.118 -0.000 -1.030) 7.192 12.756 ( -8.818 0.000 2.986) 9.310 12.878 ( -0.206 0.000 -2.397) 2.406 13.054 ( -6.012 0.000 2.983) 6.711 13.157 ( -15.094 0.000 -9.567) 17.871 13.827 ( 4.401 -0.000 0.171) 4.404 13.847 ( 3.695 -0.000 -0.429) 3.720 16.064 ( 4.613 -0.000 -9.191) 10.284 16.639 ( 27.004 -0.000 10.602) 29.011 17.493 ( -6.180 0.000 2.404) 6.631 17.615 ( -6.937 0.000 -4.455) 8.245 18.132 ( -9.460 0.000 2.780) 9.860 18.330 ( -10.412 0.000 -15.499) 18.672 19.018 ( 10.448 -0.000 3.951) 11.170 19.178 ( 14.490 -0.000 -0.172) 14.491 19.814 ( -5.096 0.000 -4.057) 6.514 19.997 ( -4.046 0.000 7.814) 8.800 20.225 ( -6.798 0.000 0.839) 6.850 20.535 ( 1.177 -0.000 -5.843) 5.960 20.748 ( -13.124 0.000 3.452) 13.570 21.063 ( -12.427 0.000 -28.721) 31.294 21.923 ( -3.275 0.000 2.210) 3.951 21.958 ( -3.756 0.000 -1.829) 4.178 22.346 ( -1.110 0.000 10.480) 10.538 22.423 ( 0.766 -0.000 -1.177) 1.405 22.580 ( 10.245 -0.000 19.498) 22.026 22.656 ( 11.002 -0.000 -6.588) 12.824 22.976 ( 3.791 -0.000 0.111) 3.793 22.984 ( 5.679 -0.000 -1.104) 5.785 ======================= Grid point 242 (101/102) ======================= q-point: (-0.09 -0.18 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.722 ( -19.969 -4.253 9.975) 22.723 0.837 ( -20.085 -10.111 9.184) 24.289 1.043 ( -4.689 1.990 -13.635) 14.556 1.401 ( -4.495 -13.131 -7.097) 15.588 1.463 ( -31.623 -17.528 10.025) 37.520 1.642 ( -22.525 -8.677 -8.756) 25.677 1.890 ( -7.359 -2.741 1.886) 8.077 2.309 ( -6.125 1.722 -1.857) 6.628 2.515 ( -7.311 -5.433 1.512) 9.233 2.563 ( -6.890 -6.691 -2.215) 9.857 2.697 ( 2.741 8.250 6.792) 11.032 2.845 ( 0.037 6.058 -1.303) 6.197 2.918 ( 0.181 -1.252 0.646) 1.420 3.025 ( 2.155 -1.876 -0.642) 2.928 3.261 ( 9.847 -0.586 -4.059) 10.667 3.309 ( 0.449 2.518 -0.307) 2.576 3.385 ( 0.845 -0.811 2.902) 3.129 3.485 ( -0.483 -0.023 -1.233) 1.325 3.510 ( -1.136 -2.164 -0.152) 2.449 3.741 ( -0.158 0.345 -3.734) 3.754 3.789 ( 2.691 0.631 -1.681) 3.236 3.819 ( 0.230 1.320 -1.464) 1.985 3.882 ( 4.216 -2.306 0.410) 4.822 3.967 ( 2.950 0.453 -0.295) 2.999 4.191 ( -3.548 6.213 6.722) 9.817 4.334 ( 0.717 1.782 0.109) 1.924 4.576 ( 3.027 3.436 1.797) 4.919 4.632 ( 8.033 1.701 -2.437) 8.565 4.735 ( 5.493 0.205 -2.944) 6.235 4.770 ( 3.846 3.072 1.564) 5.165 4.866 ( -6.445 5.150 0.771) 8.286 4.951 ( -2.269 1.049 -4.977) 5.570 5.036 ( 4.522 1.038 -0.455) 4.662 5.149 ( 4.594 -2.896 1.134) 5.548 5.282 ( 3.210 -4.591 -0.104) 5.603 5.337 ( 7.277 -4.598 -1.444) 8.728 5.404 ( 9.105 0.622 -0.995) 9.180 5.477 ( 9.342 -1.449 -3.507) 10.083 5.567 ( -7.609 -1.801 9.170) 12.051 5.808 ( 3.429 3.226 -2.584) 5.370 5.910 ( 1.132 -4.555 -3.180) 5.669 6.125 ( -5.244 2.070 -3.362) 6.564 6.274 ( -2.947 3.478 5.542) 7.176 6.427 ( -4.261 2.285 -3.575) 6.013 6.565 ( -6.180 5.329 1.214) 8.250 6.808 ( -3.468 -4.841 0.657) 5.991 6.881 ( -4.286 -0.283 -1.992) 4.735 7.080 ( -6.350 -4.169 -0.396) 7.606 7.383 ( -17.222 2.279 5.412) 18.196 7.562 ( -3.591 2.479 -14.182) 14.838 7.844 ( -5.000 -1.752 -1.716) 5.569 7.906 ( -5.483 -0.958 -6.832) 8.812 8.241 ( 3.406 5.273 3.215) 7.053 8.342 ( -3.822 5.586 6.843) 9.624 8.607 ( 10.208 -0.898 -3.189) 10.732 8.772 ( 1.469 7.917 3.225) 8.673 8.880 ( -2.534 -3.095 5.679) 6.946 9.065 ( 1.316 -2.991 -1.844) 3.752 9.393 ( -8.443 0.051 6.352) 10.566 9.490 ( -3.579 -0.669 -4.873) 6.083 9.831 ( 0.760 1.581 -7.304) 7.512 10.019 ( -1.391 19.958 -3.119) 20.248 10.281 ( 8.205 3.429 -2.288) 9.183 10.471 ( 5.525 7.403 2.124) 9.479 10.590 ( 8.190 -0.380 1.790) 8.392 10.732 ( -0.042 0.019 -0.515) 0.517 10.836 ( -1.163 3.213 -0.054) 3.417 11.059 ( -2.443 0.498 -2.672) 3.655 11.146 ( -5.439 -6.810 0.066) 8.716 11.365 ( -5.789 0.587 0.706) 5.861 11.547 ( -9.896 1.457 -4.447) 10.946 11.713 ( 3.756 6.504 11.480) 13.719 12.152 ( 3.611 -0.622 -0.577) 3.710 12.255 ( 6.141 -0.511 -0.885) 6.226 12.590 ( -15.230 9.652 0.641) 18.042 12.693 ( -20.495 11.266 -4.186) 23.759 12.992 ( 0.125 1.003 -0.604) 1.178 13.005 ( -1.310 1.838 1.018) 2.476 13.848 ( 4.044 1.661 -0.499) 4.401 13.878 ( 3.982 0.595 -1.024) 4.154 16.062 ( 3.864 1.351 -8.435) 9.376 16.551 ( -0.930 26.424 9.682) 28.157 17.394 ( -0.690 -1.090 -0.441) 1.363 17.643 ( -2.227 -6.607 -3.436) 7.772 17.740 ( -8.220 5.820 0.775) 10.102 18.584 ( -12.782 -9.650 -9.384) 18.563 19.074 ( 10.478 2.927 3.525) 11.436 19.468 ( 14.995 -11.474 -2.022) 18.989 19.684 ( -8.774 9.995 -2.823) 13.596 19.779 ( -15.162 19.484 2.526) 24.817 19.946 ( 4.300 6.449 3.415) 8.470 20.419 ( 2.330 11.512 -0.350) 11.751 20.766 ( -10.900 -6.875 0.178) 12.888 20.999 ( -16.200 -9.614 -13.992) 23.466 21.769 ( -2.226 3.761 7.575) 8.745 21.929 ( -3.343 -0.334 0.605) 3.413 22.395 ( -1.540 -0.845 1.048) 2.045 22.397 ( 1.821 1.512 -2.320) 3.314 22.740 ( 6.566 -3.898 3.238) 8.294 22.961 ( 7.751 -4.504 -4.924) 10.228 23.073 ( 4.824 -5.607 0.690) 7.429 23.124 ( 17.559 -16.893 1.065) 24.389 ======================= Grid point 253 (102/102) ======================= q-point: (-0.09 -0.09 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 102 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.554 ( -21.460 0.000 12.382) 24.776 0.593 ( -21.477 0.000 15.557) 26.519 0.980 ( -13.519 0.000 -4.273) 14.178 1.052 ( -29.166 0.000 14.320) 32.492 1.261 ( -0.399 0.000 -12.636) 12.642 1.379 ( -12.977 0.000 -21.274) 24.919 1.838 ( -0.648 0.000 4.645) 4.689 2.317 ( -0.392 0.000 -4.528) 4.545 2.357 ( -12.522 0.000 5.498) 13.676 2.461 ( -4.030 0.000 -5.206) 6.583 2.777 ( -4.769 0.000 9.181) 10.346 2.896 ( -2.849 0.000 2.714) 3.934 2.964 ( 4.954 -0.000 2.428) 5.517 3.069 ( 11.475 -0.000 -3.923) 12.127 3.314 ( -0.449 0.000 1.661) 1.720 3.318 ( 8.851 -0.000 -3.210) 9.415 3.429 ( 1.990 -0.000 -8.365) 8.598 3.440 ( 2.252 -0.000 1.444) 2.675 3.489 ( -6.055 0.000 1.350) 6.204 3.662 ( -3.580 0.000 -6.488) 7.410 3.814 ( 4.233 -0.000 -4.860) 6.445 3.844 ( -1.649 0.000 5.468) 5.712 3.901 ( 3.902 -0.000 -0.061) 3.902 3.979 ( 1.343 -0.000 -1.300) 1.869 4.220 ( -7.363 0.000 7.824) 10.744 4.361 ( 2.612 -0.000 -5.981) 6.526 4.660 ( 4.042 -0.000 4.770) 6.253 4.695 ( 7.262 -0.000 -1.994) 7.531 4.776 ( 5.871 -0.000 -5.512) 8.053 4.812 ( -1.118 0.000 1.565) 1.923 4.889 ( -5.030 0.000 -3.538) 6.150 4.920 ( -6.521 0.000 1.759) 6.754 5.108 ( 8.659 -0.000 -3.198) 9.230 5.158 ( 3.729 -0.000 3.044) 4.813 5.294 ( 13.034 -0.000 -8.027) 15.307 5.301 ( 5.203 -0.000 -0.122) 5.204 5.475 ( 8.617 -0.000 1.414) 8.732 5.505 ( -9.742 0.000 7.665) 12.396 5.535 ( 10.563 -0.000 -3.203) 11.038 5.841 ( -2.625 0.000 -7.875) 8.301 5.885 ( 5.063 -0.000 1.695) 5.339 6.095 ( -9.988 0.000 -6.235) 11.774 6.330 ( -1.678 0.000 0.191) 1.689 6.370 ( -13.208 0.000 -0.924) 13.240 6.662 ( -4.801 0.000 -0.826) 4.872 6.677 ( 3.209 -0.000 3.541) 4.779 6.856 ( -1.073 0.000 -4.581) 4.705 6.954 ( -9.383 0.000 -2.392) 9.683 7.273 ( -19.753 0.000 9.245) 21.810 7.502 ( -9.249 0.000 -15.804) 18.311 7.815 ( -12.535 0.000 0.149) 12.536 7.816 ( 2.542 -0.000 -7.709) 8.118 8.349 ( 7.954 -0.000 1.605) 8.114 8.394 ( -3.079 0.000 8.035) 8.604 8.683 ( 13.507 -0.000 -7.837) 15.615 8.757 ( -13.105 0.000 10.298) 16.667 8.869 ( -0.587 0.000 3.885) 3.929 9.080 ( 6.137 -0.000 -2.116) 6.491 9.346 ( -8.434 0.000 9.190) 12.473 9.444 ( -0.569 0.000 -9.031) 9.049 9.848 ( 0.762 -0.000 -0.997) 1.254 10.191 ( 0.293 -0.000 -11.935) 11.939 10.423 ( 19.000 -0.000 -3.488) 19.317 10.625 ( 9.228 -0.000 -1.739) 9.390 10.676 ( 11.420 -0.000 2.688) 11.732 10.727 ( 0.265 -0.000 -0.925) 0.962 10.932 ( -5.050 0.000 -0.102) 5.051 10.949 ( -5.209 0.000 -0.458) 5.229 11.070 ( 0.902 -0.000 -5.540) 5.613 11.334 ( -4.009 0.000 0.126) 4.011 11.477 ( -9.918 0.000 -3.579) 10.544 11.888 ( 6.052 -0.000 -1.846) 6.327 12.189 ( 7.434 -0.000 3.998) 8.441 12.285 ( 4.005 -0.000 -1.206) 4.183 12.595 ( -35.848 0.000 -17.153) 39.740 12.613 ( -11.646 0.000 5.341) 12.812 12.995 ( -0.482 0.000 -1.541) 1.615 13.013 ( -1.706 0.000 1.125) 2.044 13.882 ( 2.835 -0.000 -0.181) 2.840 13.887 ( 1.827 -0.000 -0.209) 1.839 16.096 ( 7.207 -0.000 -8.955) 11.495 17.075 ( 19.347 -0.000 -11.421) 22.467 17.417 ( -17.584 0.000 -13.185) 21.978 17.455 ( -0.872 0.000 2.380) 2.535 17.925 ( -31.136 0.000 -11.195) 33.088 17.997 ( -9.830 0.000 1.600) 9.959 19.224 ( 15.915 -0.000 8.934) 18.251 19.401 ( 15.143 -0.000 1.263) 15.196 19.734 ( -3.247 0.000 -0.189) 3.253 19.869 ( -16.583 0.000 6.448) 17.793 20.156 ( -2.688 0.000 -1.812) 3.242 20.493 ( -8.572 0.000 -13.509) 16.000 20.608 ( -6.400 0.000 1.374) 6.545 20.671 ( -19.659 0.000 -14.268) 24.291 21.895 ( -1.353 0.000 0.576) 1.471 21.910 ( -2.080 0.000 -0.632) 2.174 22.359 ( -0.621 0.000 3.813) 3.863 22.421 ( 0.226 -0.000 -1.859) 1.872 22.807 ( 10.846 -0.000 -2.575) 11.147 22.892 ( 17.269 -0.000 11.345) 20.663 23.024 ( 2.937 -0.000 1.516) 3.305 23.048 ( 3.651 -0.000 -1.284) 3.870 =================== 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 3/37026 10.0 237.671 134.129 98.942 0.000 -30.266 -0.000 3/37026 20.0 73.229 46.798 26.325 0.000 -10.391 -0.000 3/37026 30.0 35.197 22.969 12.331 0.000 -5.007 -0.000 3/37026 40.0 21.637 14.146 7.592 0.000 -3.102 -0.000 3/37026 50.0 15.255 9.948 5.395 0.000 -2.214 -0.000 3/37026 60.0 11.694 7.597 4.172 0.000 -1.717 -0.000 3/37026 70.0 9.464 6.124 3.405 0.000 -1.403 -0.000 3/37026 80.0 7.949 5.125 2.882 0.000 -1.188 -0.000 3/37026 90.0 6.857 4.407 2.503 0.000 -1.031 -0.000 3/37026 100.0 6.035 3.869 2.216 0.000 -0.912 -0.000 3/37026 110.0 5.393 3.451 1.991 0.000 -0.818 -0.000 3/37026 120.0 4.879 3.117 1.809 0.000 -0.742 -0.000 3/37026 130.0 4.458 2.845 1.659 0.000 -0.680 -0.000 3/37026 140.0 4.107 2.619 1.534 0.000 -0.628 -0.000 3/37026 150.0 3.809 2.429 1.427 0.000 -0.583 -0.000 3/37026 160.0 3.554 2.266 1.335 0.000 -0.544 -0.000 3/37026 170.0 3.333 2.125 1.255 0.000 -0.511 -0.000 3/37026 180.0 3.139 2.002 1.184 0.000 -0.481 -0.000 3/37026 190.0 2.968 1.894 1.122 0.000 -0.455 -0.000 3/37026 200.0 2.816 1.798 1.066 0.000 -0.432 -0.000 3/37026 210.0 2.679 1.712 1.015 0.000 -0.411 -0.000 3/37026 220.0 2.556 1.634 0.970 0.000 -0.392 -0.000 3/37026 230.0 2.444 1.564 0.929 0.000 -0.374 -0.000 3/37026 240.0 2.342 1.500 0.891 0.000 -0.359 -0.000 3/37026 250.0 2.248 1.441 0.857 0.000 -0.344 -0.000 3/37026 260.0 2.162 1.387 0.825 0.000 -0.331 -0.000 3/37026 270.0 2.083 1.338 0.796 0.000 -0.319 -0.000 3/37026 280.0 2.010 1.292 0.768 0.000 -0.307 -0.000 3/37026 290.0 1.942 1.249 0.743 0.000 -0.297 -0.000 3/37026 300.0 1.878 1.209 0.719 0.000 -0.287 -0.000 3/37026 310.0 1.818 1.171 0.697 0.000 -0.278 -0.000 3/37026 320.0 1.763 1.136 0.676 0.000 -0.269 -0.000 3/37026 330.0 1.711 1.104 0.657 0.000 -0.261 -0.000 3/37026 340.0 1.661 1.073 0.639 0.000 -0.254 -0.000 3/37026 350.0 1.615 1.043 0.621 0.000 -0.247 -0.000 3/37026 360.0 1.571 1.016 0.605 0.000 -0.240 -0.000 3/37026 370.0 1.530 0.990 0.589 0.000 -0.234 -0.000 3/37026 380.0 1.490 0.965 0.574 0.000 -0.228 -0.000 3/37026 390.0 1.453 0.941 0.560 0.000 -0.222 -0.000 3/37026 400.0 1.418 0.919 0.547 0.000 -0.216 -0.000 3/37026 410.0 1.384 0.897 0.534 0.000 -0.211 -0.000 3/37026 420.0 1.352 0.877 0.522 0.000 -0.206 -0.000 3/37026 430.0 1.321 0.857 0.511 0.000 -0.202 -0.000 3/37026 440.0 1.292 0.839 0.500 0.000 -0.197 -0.000 3/37026 450.0 1.264 0.821 0.489 0.000 -0.193 -0.000 3/37026 460.0 1.237 0.804 0.479 0.000 -0.189 -0.000 3/37026 470.0 1.211 0.788 0.469 0.000 -0.185 -0.000 3/37026 480.0 1.187 0.772 0.460 0.000 -0.181 -0.000 3/37026 490.0 1.163 0.757 0.451 0.000 -0.177 -0.000 3/37026 500.0 1.140 0.742 0.442 0.000 -0.174 -0.000 3/37026 510.0 1.118 0.728 0.434 0.000 -0.170 -0.000 3/37026 520.0 1.097 0.715 0.426 0.000 -0.167 -0.000 3/37026 530.0 1.077 0.702 0.418 0.000 -0.164 -0.000 3/37026 540.0 1.058 0.689 0.411 0.000 -0.161 -0.000 3/37026 550.0 1.039 0.677 0.403 0.000 -0.158 -0.000 3/37026 560.0 1.021 0.665 0.397 0.000 -0.156 -0.000 3/37026 570.0 1.003 0.654 0.390 0.000 -0.153 -0.000 3/37026 580.0 0.986 0.643 0.383 0.000 -0.150 -0.000 3/37026 590.0 0.970 0.633 0.377 0.000 -0.148 -0.000 3/37026 600.0 0.954 0.623 0.371 0.000 -0.145 -0.000 3/37026 610.0 0.938 0.613 0.365 0.000 -0.143 -0.000 3/37026 620.0 0.924 0.603 0.359 0.000 -0.141 -0.000 3/37026 630.0 0.909 0.594 0.354 0.000 -0.139 -0.000 3/37026 640.0 0.895 0.585 0.349 0.000 -0.136 -0.000 3/37026 650.0 0.882 0.576 0.343 0.000 -0.134 -0.000 3/37026 660.0 0.869 0.568 0.338 0.000 -0.132 -0.000 3/37026 670.0 0.856 0.559 0.333 0.000 -0.130 -0.000 3/37026 680.0 0.843 0.551 0.329 0.000 -0.128 -0.000 3/37026 690.0 0.831 0.544 0.324 0.000 -0.127 -0.000 3/37026 700.0 0.820 0.536 0.319 0.000 -0.125 -0.000 3/37026 710.0 0.808 0.529 0.315 0.000 -0.123 -0.000 3/37026 720.0 0.797 0.522 0.311 0.000 -0.121 -0.000 3/37026 730.0 0.786 0.515 0.307 0.000 -0.120 -0.000 3/37026 740.0 0.776 0.508 0.303 0.000 -0.118 -0.000 3/37026 750.0 0.766 0.501 0.299 0.000 -0.117 -0.000 3/37026 760.0 0.756 0.495 0.295 0.000 -0.115 -0.000 3/37026 770.0 0.746 0.488 0.291 0.000 -0.114 -0.000 3/37026 780.0 0.737 0.482 0.288 0.000 -0.112 -0.000 3/37026 790.0 0.728 0.476 0.284 0.000 -0.111 -0.000 3/37026 800.0 0.719 0.471 0.280 0.000 -0.109 -0.000 3/37026 810.0 0.710 0.465 0.277 0.000 -0.108 -0.000 3/37026 820.0 0.701 0.459 0.274 0.000 -0.107 -0.000 3/37026 830.0 0.693 0.454 0.271 0.000 -0.106 -0.000 3/37026 840.0 0.685 0.449 0.267 0.000 -0.104 -0.000 3/37026 850.0 0.677 0.443 0.264 0.000 -0.103 -0.000 3/37026 860.0 0.669 0.438 0.261 0.000 -0.102 -0.000 3/37026 870.0 0.661 0.433 0.258 0.000 -0.101 -0.000 3/37026 880.0 0.654 0.429 0.256 0.000 -0.100 -0.000 3/37026 890.0 0.647 0.424 0.253 0.000 -0.098 -0.000 3/37026 900.0 0.640 0.419 0.250 0.000 -0.097 -0.000 3/37026 910.0 0.633 0.415 0.247 0.000 -0.096 -0.000 3/37026 920.0 0.626 0.410 0.245 0.000 -0.095 -0.000 3/37026 930.0 0.619 0.406 0.242 0.000 -0.094 -0.000 3/37026 940.0 0.613 0.402 0.239 0.000 -0.093 -0.000 3/37026 950.0 0.606 0.398 0.237 0.000 -0.092 -0.000 3/37026 960.0 0.600 0.393 0.235 0.000 -0.091 -0.000 3/37026 970.0 0.594 0.389 0.232 0.000 -0.090 -0.000 3/37026 980.0 0.588 0.386 0.230 0.000 -0.090 -0.000 3/37026 990.0 0.582 0.382 0.228 0.000 -0.089 -0.000 3/37026 1000.0 0.576 0.378 0.225 0.000 -0.088 -0.000 3/37026 Thermal conductivity related properties were written into "kappa-m11113.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 09:25:43]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|