----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 10:13:03]------------------------- Compiled with OpenMP support (max 32 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_12_12_1 (19) Number of symmetry operations in supercell: 16 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.824509770000000 0.000000000000000 0.000000000000000 b 0.000000000000000 7.039648000000000 0.000000000000000 c 0.000000000000000 0.000000000000000 9.927011179999999 Atomic positions (fractional): *1 Ba 0.50355915309321 0.42121409775896 0.07846363989094 137.327 2 Ba 0.00355915309321 0.07878590224104 0.92153636010906 137.327 3 Ba 0.49644084690679 0.92121409775896 0.42153636010906 137.327 4 Ba 0.99644084690679 0.57878590224104 0.57846363989094 137.327 *5 Nd 0.51216635994761 0.25236711653436 0.70159781686475 144.242 6 Nd 0.01216635994762 0.24763288346564 0.29840218313525 144.242 7 Nd 0.48783364005238 0.75236711653436 0.79840218313525 144.242 8 Nd 0.98783364005239 0.74763288346564 0.20159781686475 144.242 *9 Ga 0.48796021734209 0.46181148178298 0.41876464820403 69.723 10 Ga 0.98796021734209 0.03818851821702 0.58123535179597 69.723 11 Ga 0.51203978265791 0.96181148178298 0.08123535179597 69.723 12 Ga 0.01203978265791 0.53818851821702 0.91876464820403 69.723 *13 O 0.50252766687354 0.59931197303519 0.57856463414117 15.999 14 O 0.00252766687354 0.90068802696481 0.42143536585883 15.999 15 O 0.49747233312646 0.09931197303519 0.92143536585883 15.999 16 O 0.99747233312646 0.40068802696481 0.07856463414117 15.999 *17 O 0.25647524000008 0.55044207525070 0.30290985998706 15.999 18 O 0.75647524000008 0.94955792474930 0.69709014001294 15.999 19 O 0.74352475999992 0.05044207525070 0.19709014001294 15.999 20 O 0.24352475999992 0.44955792474930 0.80290985998706 15.999 *21 O 0.32090057362032 0.25064019646738 0.47642522352361 15.999 22 O 0.82090057362032 0.24935980353262 0.52357477647639 15.999 23 O 0.67909942637968 0.75064019646738 0.02357477647639 15.999 24 O 0.17909942637968 0.74935980353262 0.97642522352361 15.999 *25 O 0.74416042845795 0.51546576625350 0.31532512255361 15.999 26 O 0.24416042845795 0.98453423374650 0.68467487744639 15.999 27 O 0.25583957154205 0.01546576625350 0.18467487744639 15.999 28 O 0.75583957154205 0.48453423374650 0.81532512255361 15.999 -------------------------------- unit cell --------------------------------- Lattice vectors: a 5.824509770000000 0.000000000000000 0.000000000000000 b 0.000000000000000 7.039648000000000 0.000000000000000 c 0.000000000000000 0.000000000000000 9.927011179999999 Atomic positions (fractional): *1 Ba 0.50355915309321 0.42121409775896 0.07846363989094 137.327 > 1 2 Ba 0.00355915309321 0.07878590224104 0.92153636010906 137.327 > 2 3 Ba 0.49644084690679 0.92121409775896 0.42153636010906 137.327 > 3 4 Ba 0.99644084690679 0.57878590224104 0.57846363989094 137.327 > 4 *5 Nd 0.51216635994761 0.25236711653436 0.70159781686475 144.242 > 5 6 Nd 0.01216635994762 0.24763288346564 0.29840218313525 144.242 > 6 7 Nd 0.48783364005238 0.75236711653436 0.79840218313525 144.242 > 7 8 Nd 0.98783364005239 0.74763288346564 0.20159781686475 144.242 > 8 *9 Ga 0.48796021734209 0.46181148178298 0.41876464820403 69.723 > 9 10 Ga 0.98796021734209 0.03818851821702 0.58123535179597 69.723 > 10 11 Ga 0.51203978265791 0.96181148178298 0.08123535179597 69.723 > 11 12 Ga 0.01203978265791 0.53818851821702 0.91876464820403 69.723 > 12 *13 O 0.50252766687354 0.59931197303519 0.57856463414117 15.999 > 13 14 O 0.00252766687354 0.90068802696481 0.42143536585883 15.999 > 14 15 O 0.49747233312646 0.09931197303519 0.92143536585883 15.999 > 15 16 O 0.99747233312646 0.40068802696481 0.07856463414117 15.999 > 16 *17 O 0.25647524000008 0.55044207525070 0.30290985998706 15.999 > 17 18 O 0.75647524000008 0.94955792474930 0.69709014001294 15.999 > 18 19 O 0.74352475999992 0.05044207525070 0.19709014001294 15.999 > 19 20 O 0.24352475999992 0.44955792474930 0.80290985998706 15.999 > 20 *21 O 0.32090057362032 0.25064019646738 0.47642522352361 15.999 > 21 22 O 0.82090057362032 0.24935980353262 0.52357477647639 15.999 > 22 23 O 0.67909942637968 0.75064019646738 0.02357477647639 15.999 > 23 24 O 0.17909942637968 0.74935980353262 0.97642522352361 15.999 > 24 *25 O 0.74416042845795 0.51546576625350 0.31532512255361 15.999 > 25 26 O 0.24416042845795 0.98453423374650 0.68467487744639 15.999 > 26 27 O 0.25583957154205 0.01546576625350 0.18467487744639 15.999 > 27 28 O 0.75583957154205 0.48453423374650 0.81532512255361 15.999 > 28 -------------------------------- super cell -------------------------------- Lattice vectors: a 11.649019539999999 0.000000000000000 0.000000000000000 b 0.000000000000000 14.079295999999999 0.000000000000000 c 0.000000000000000 0.000000000000000 9.927011179999999 Atomic positions (fractional): *1 Ba 0.25177957654661 0.21060704887948 0.07846363989094 137.327 > 1 2 Ba 0.75177957654661 0.21060704887948 0.07846363989094 137.327 > 1 3 Ba 0.25177957654661 0.71060704887948 0.07846363989094 137.327 > 1 4 Ba 0.75177957654661 0.71060704887948 0.07846363989094 137.327 > 1 5 Ba 0.00177957654661 0.03939295112052 0.92153636010906 137.327 > 2 6 Ba 0.50177957654661 0.03939295112052 0.92153636010906 137.327 > 2 7 Ba 0.00177957654661 0.53939295112052 0.92153636010906 137.327 > 2 8 Ba 0.50177957654661 0.53939295112052 0.92153636010906 137.327 > 2 9 Ba 0.24822042345339 0.46060704887948 0.42153636010906 137.327 > 3 10 Ba 0.74822042345339 0.46060704887948 0.42153636010906 137.327 > 3 11 Ba 0.24822042345339 0.96060704887948 0.42153636010906 137.327 > 3 12 Ba 0.74822042345339 0.96060704887948 0.42153636010906 137.327 > 3 13 Ba 0.49822042345339 0.28939295112052 0.57846363989094 137.327 > 4 14 Ba 0.99822042345339 0.28939295112052 0.57846363989094 137.327 > 4 15 Ba 0.49822042345339 0.78939295112052 0.57846363989094 137.327 > 4 16 Ba 0.99822042345339 0.78939295112052 0.57846363989094 137.327 > 4 *17 Nd 0.25608317997381 0.12618355826718 0.70159781686475 144.242 > 5 18 Nd 0.75608317997381 0.12618355826718 0.70159781686475 144.242 > 5 19 Nd 0.25608317997381 0.62618355826718 0.70159781686475 144.242 > 5 20 Nd 0.75608317997381 0.62618355826718 0.70159781686475 144.242 > 5 21 Nd 0.00608317997381 0.12381644173282 0.29840218313525 144.242 > 6 22 Nd 0.50608317997381 0.12381644173282 0.29840218313525 144.242 > 6 23 Nd 0.00608317997381 0.62381644173282 0.29840218313525 144.242 > 6 24 Nd 0.50608317997381 0.62381644173282 0.29840218313525 144.242 > 6 25 Nd 0.24391682002619 0.37618355826718 0.79840218313525 144.242 > 7 26 Nd 0.74391682002619 0.37618355826718 0.79840218313525 144.242 > 7 27 Nd 0.24391682002619 0.87618355826718 0.79840218313525 144.242 > 7 28 Nd 0.74391682002619 0.87618355826718 0.79840218313525 144.242 > 7 29 Nd 0.49391682002619 0.37381644173282 0.20159781686475 144.242 > 8 30 Nd 0.99391682002619 0.37381644173282 0.20159781686475 144.242 > 8 31 Nd 0.49391682002619 0.87381644173282 0.20159781686475 144.242 > 8 32 Nd 0.99391682002619 0.87381644173282 0.20159781686475 144.242 > 8 *33 Ga 0.24398010867105 0.23090574089149 0.41876464820403 69.723 > 9 34 Ga 0.74398010867105 0.23090574089149 0.41876464820403 69.723 > 9 35 Ga 0.24398010867105 0.73090574089149 0.41876464820403 69.723 > 9 36 Ga 0.74398010867105 0.73090574089149 0.41876464820403 69.723 > 9 37 Ga 0.49398010867105 0.01909425910851 0.58123535179597 69.723 > 10 38 Ga 0.99398010867105 0.01909425910851 0.58123535179597 69.723 > 10 39 Ga 0.49398010867105 0.51909425910851 0.58123535179597 69.723 > 10 40 Ga 0.99398010867105 0.51909425910851 0.58123535179597 69.723 > 10 41 Ga 0.25601989132895 0.48090574089149 0.08123535179597 69.723 > 11 42 Ga 0.75601989132895 0.48090574089149 0.08123535179597 69.723 > 11 43 Ga 0.25601989132895 0.98090574089149 0.08123535179597 69.723 > 11 44 Ga 0.75601989132895 0.98090574089149 0.08123535179597 69.723 > 11 45 Ga 0.00601989132895 0.26909425910851 0.91876464820403 69.723 > 12 46 Ga 0.50601989132895 0.26909425910851 0.91876464820403 69.723 > 12 47 Ga 0.00601989132895 0.76909425910851 0.91876464820403 69.723 > 12 48 Ga 0.50601989132895 0.76909425910851 0.91876464820403 69.723 > 12 *49 O 0.25126383343677 0.29965598651759 0.57856463414117 15.999 > 13 50 O 0.75126383343677 0.29965598651759 0.57856463414117 15.999 > 13 51 O 0.25126383343677 0.79965598651759 0.57856463414117 15.999 > 13 52 O 0.75126383343677 0.79965598651759 0.57856463414117 15.999 > 13 53 O 0.00126383343677 0.45034401348241 0.42143536585883 15.999 > 14 54 O 0.50126383343677 0.45034401348241 0.42143536585883 15.999 > 14 55 O 0.00126383343677 0.95034401348241 0.42143536585883 15.999 > 14 56 O 0.50126383343677 0.95034401348241 0.42143536585883 15.999 > 14 57 O 0.24873616656323 0.04965598651759 0.92143536585883 15.999 > 15 58 O 0.74873616656323 0.04965598651759 0.92143536585883 15.999 > 15 59 O 0.24873616656323 0.54965598651759 0.92143536585883 15.999 > 15 60 O 0.74873616656323 0.54965598651759 0.92143536585883 15.999 > 15 61 O 0.49873616656323 0.20034401348241 0.07856463414117 15.999 > 16 62 O 0.99873616656323 0.20034401348241 0.07856463414117 15.999 > 16 63 O 0.49873616656323 0.70034401348241 0.07856463414117 15.999 > 16 64 O 0.99873616656323 0.70034401348241 0.07856463414117 15.999 > 16 *65 O 0.12823762000004 0.27522103762535 0.30290985998706 15.999 > 17 66 O 0.62823762000004 0.27522103762535 0.30290985998706 15.999 > 17 67 O 0.12823762000004 0.77522103762535 0.30290985998706 15.999 > 17 68 O 0.62823762000004 0.77522103762535 0.30290985998706 15.999 > 17 69 O 0.37823762000004 0.47477896237465 0.69709014001294 15.999 > 18 70 O 0.87823762000004 0.47477896237465 0.69709014001294 15.999 > 18 71 O 0.37823762000004 0.97477896237465 0.69709014001294 15.999 > 18 72 O 0.87823762000004 0.97477896237465 0.69709014001294 15.999 > 18 73 O 0.37176237999996 0.02522103762535 0.19709014001294 15.999 > 19 74 O 0.87176237999996 0.02522103762535 0.19709014001294 15.999 > 19 75 O 0.37176237999996 0.52522103762535 0.19709014001294 15.999 > 19 76 O 0.87176237999996 0.52522103762535 0.19709014001294 15.999 > 19 77 O 0.12176237999996 0.22477896237465 0.80290985998706 15.999 > 20 78 O 0.62176237999996 0.22477896237465 0.80290985998706 15.999 > 20 79 O 0.12176237999996 0.72477896237465 0.80290985998706 15.999 > 20 80 O 0.62176237999996 0.72477896237465 0.80290985998706 15.999 > 20 *81 O 0.16045028681016 0.12532009823369 0.47642522352361 15.999 > 21 82 O 0.66045028681016 0.12532009823369 0.47642522352361 15.999 > 21 83 O 0.16045028681016 0.62532009823369 0.47642522352361 15.999 > 21 84 O 0.66045028681016 0.62532009823369 0.47642522352361 15.999 > 21 85 O 0.41045028681016 0.12467990176631 0.52357477647639 15.999 > 22 86 O 0.91045028681016 0.12467990176631 0.52357477647639 15.999 > 22 87 O 0.41045028681016 0.62467990176631 0.52357477647639 15.999 > 22 88 O 0.91045028681016 0.62467990176631 0.52357477647639 15.999 > 22 89 O 0.33954971318984 0.37532009823369 0.02357477647639 15.999 > 23 90 O 0.83954971318984 0.37532009823369 0.02357477647639 15.999 > 23 91 O 0.33954971318984 0.87532009823369 0.02357477647639 15.999 > 23 92 O 0.83954971318984 0.87532009823369 0.02357477647639 15.999 > 23 93 O 0.08954971318984 0.37467990176631 0.97642522352361 15.999 > 24 94 O 0.58954971318984 0.37467990176631 0.97642522352361 15.999 > 24 95 O 0.08954971318984 0.87467990176631 0.97642522352361 15.999 > 24 96 O 0.58954971318984 0.87467990176631 0.97642522352361 15.999 > 24 *97 O 0.37208021422898 0.25773288312675 0.31532512255361 15.999 > 25 98 O 0.87208021422898 0.25773288312675 0.31532512255361 15.999 > 25 99 O 0.37208021422898 0.75773288312675 0.31532512255361 15.999 > 25 100 O 0.87208021422898 0.75773288312675 0.31532512255361 15.999 > 25 101 O 0.12208021422898 0.49226711687325 0.68467487744639 15.999 > 26 102 O 0.62208021422898 0.49226711687325 0.68467487744639 15.999 > 26 103 O 0.12208021422898 0.99226711687325 0.68467487744639 15.999 > 26 104 O 0.62208021422898 0.99226711687325 0.68467487744639 15.999 > 26 105 O 0.12791978577102 0.00773288312675 0.18467487744639 15.999 > 27 106 O 0.62791978577102 0.00773288312675 0.18467487744639 15.999 > 27 107 O 0.12791978577102 0.50773288312675 0.18467487744639 15.999 > 27 108 O 0.62791978577102 0.50773288312675 0.18467487744639 15.999 > 27 109 O 0.37791978577102 0.24226711687325 0.81532512255361 15.999 > 28 110 O 0.87791978577102 0.24226711687325 0.81532512255361 15.999 > 28 111 O 0.37791978577102 0.74226711687325 0.81532512255361 15.999 > 28 112 O 0.87791978577102 0.74226711687325 0.81532512255361 15.999 > 28 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.4657057 0.0000000 0.0000000 0.0000000 4.4984842 0.0000000 0.0000000 0.0000000 4.4824881 -------------------------- Born effective charges -------------------------- 1 Ba 2.7652736 0.0445016 -0.0172040 0.1123430 2.7654080 0.0843454 0.0221384 0.1026643 2.6107236 2 Ba 2.7652736 -0.0445016 0.0172040 -0.1123430 2.7654080 0.0843454 -0.0221384 0.1026643 2.6107236 3 Ba 2.7652736 -0.0445016 -0.0172040 -0.1123430 2.7654080 -0.0843454 0.0221384 -0.1026643 2.6107236 4 Ba 2.7652736 0.0445016 0.0172040 0.1123430 2.7654080 -0.0843454 -0.0221384 -0.1026643 2.6107236 5 Nd 3.7013862 0.0166161 -0.1061719 -0.1208314 4.2018879 0.1146860 -0.1199779 0.1659262 4.1822088 6 Nd 3.7013862 -0.0166161 0.1061719 0.1208314 4.2018879 0.1146860 0.1199779 0.1659262 4.1822088 7 Nd 3.7013862 -0.0166161 -0.1061719 0.1208314 4.2018879 -0.1146860 -0.1199779 -0.1659262 4.1822088 8 Nd 3.7013862 0.0166161 0.1061719 -0.1208314 4.2018879 -0.1146860 0.1199779 -0.1659262 4.1822088 9 Ga 3.1150971 0.0483124 0.0854763 0.0519585 2.5156323 -0.2198271 0.0844617 -0.1976037 2.8894714 10 Ga 3.1150971 -0.0483124 -0.0854763 -0.0519585 2.5156323 -0.2198271 -0.0844617 -0.1976037 2.8894714 11 Ga 3.1150971 -0.0483124 0.0854763 -0.0519585 2.5156323 0.2198271 0.0844617 0.1976037 2.8894714 12 Ga 3.1150971 0.0483124 -0.0854763 0.0519585 2.5156323 0.2198271 -0.0844617 0.1976037 2.8894714 13 O -1.9714329 -0.0169200 -0.0627726 -0.0009278 -2.3987336 -0.3600173 -0.0077801 -0.2815444 -2.8194676 14 O -1.9714329 0.0169200 0.0627726 0.0009278 -2.3987336 -0.3600173 0.0077801 -0.2815444 -2.8194676 15 O -1.9714329 0.0169200 -0.0627726 0.0009278 -2.3987336 0.3600173 -0.0077801 0.2815444 -2.8194676 16 O -1.9714329 -0.0169200 0.0627726 -0.0009278 -2.3987336 0.3600173 0.0077801 0.2815444 -2.8194676 17 O -2.6384739 0.3285895 -0.4423342 0.3046002 -2.3810263 0.3538849 -0.4702605 0.2687339 -2.2870866 18 O -2.6384739 -0.3285895 0.4423342 -0.3046002 -2.3810263 0.3538849 0.4702605 0.2687339 -2.2870866 19 O -2.6384739 -0.3285895 -0.4423342 -0.3046002 -2.3810263 -0.3538849 -0.4702605 -0.2687339 -2.2870866 20 O -2.6384739 0.3285895 0.4423342 0.3046002 -2.3810263 -0.3538849 0.4702605 -0.2687339 -2.2870866 21 O -2.2874955 -0.0756496 -0.4263005 -0.2187789 -2.4451238 0.0691998 -0.4236037 0.0628149 -2.3295792 22 O -2.2874955 0.0756496 0.4263005 0.2187789 -2.4451238 0.0691998 0.4236037 0.0628149 -2.3295792 23 O -2.2874955 0.0756496 -0.4263005 0.2187789 -2.4451238 -0.0691998 -0.4236037 -0.0628149 -2.3295792 24 O -2.2874955 -0.0756496 0.4263005 -0.2187789 -2.4451238 -0.0691998 0.4236037 -0.0628149 -2.3295792 25 O -2.6843547 -0.1217655 0.3949851 0.0357157 -2.2580445 0.1901267 0.3724384 0.1659112 -2.2462703 26 O -2.6843547 0.1217655 -0.3949851 -0.0357157 -2.2580445 0.1901267 -0.3724384 0.1659112 -2.2462703 27 O -2.6843547 0.1217655 0.3949851 -0.0357157 -2.2580445 -0.1901267 0.3724384 -0.1659112 -2.2462703 28 O -2.6843547 -0.1217655 -0.3949851 0.0357157 -2.2580445 -0.1901267 -0.3724384 -0.1659112 -2.2462703 ---------------------------------------------------------------------------- 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: 336/336 Permutation basis: 14448/14448 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 3612 Number of blocks in projector: 3612 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: 784 Use submatrix version of eigh solver. (1) Block: 500 / 784 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 784 / 784 (1) 270 eigenvectors found. (1) Complementary block size: 28 (1) Compute compressed projector. (1) Use standard solver. (1) 14 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 784 Use submatrix version of eigh solver. (1) Block: 500 / 784 (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) 14 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 784 / 784 (1) 274 eigenvectors found. (1) Complementary block size: 24 (1) Compute compressed projector. (1) Use standard solver. (1) 10 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 784 Use submatrix version of eigh solver. (1) Block: 500 / 784 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 784 / 784 (1) 272 eigenvectors found. (1) Complementary block size: 26 (1) Compute compressed projector. (1) Use standard solver. (1) 12 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 420 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 420 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 420 Use standard eigh solver. Tree of FC basis block matrices: - (3612, 3549), data: False |-- (420, 413), data: True |-- (420, 413), data: True |-- (420, 413), data: True |-- (784, 770), data: False |-- (784, 12), data: (784, 26) @ (26, 12) |-- (284, 272), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), data: True |-- (784, 770), data: False |-- (784, 10), data: (784, 24) @ (24, 10) |-- (284, 274), data: True |-- (500, 486), data: False |-- (500, 14), data: (500, 28) @ (28, 14) |-- (250, 236), data: True |-- (250, 236), data: True |-- (784, 770), data: False |-- (784, 14), data: (784, 28) @ (28, 14) |-- (284, 270), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), data: True ----- Solver_atoms: 1 -- 112 / 112 Time (Solver_compr_matrix_reshape): 0.004 Solver_block: 100 / 880 - Time: 0.932 Solver_block: 200 / 880 - Time: 0.845 Solver_block: 300 / 880 - Time: 0.848 Solver_block: 400 / 880 - Time: 0.847 Solver_block: 500 / 880 - Time: 0.845 Solver_block: 600 / 880 - Time: 0.844 Solver_block: 700 / 880 - Time: 0.842 Solver_block: 800 / 880 - Time: 0.844 Solver_block: 880 / 880 - Time: 0.749 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 7.774 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (yy) 0.00000000 (yy) Permutation basis: 336/336 Permutation basis: 14448/14448 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 3612 Number of blocks in projector: 3612 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: 784 Use submatrix version of eigh solver. (1) Block: 500 / 784 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 784 / 784 (1) 270 eigenvectors found. (1) Complementary block size: 28 (1) Compute compressed projector. (1) Use standard solver. (1) 14 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 784 Use submatrix version of eigh solver. (1) Block: 500 / 784 (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) 14 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 784 / 784 (1) 274 eigenvectors found. (1) Complementary block size: 24 (1) Compute compressed projector. (1) Use standard solver. (1) 10 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 784 Use submatrix version of eigh solver. (1) Block: 500 / 784 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 784 / 784 (1) 272 eigenvectors found. (1) Complementary block size: 26 (1) Compute compressed projector. (1) Use standard solver. (1) 12 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 420 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 420 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 420 Use standard eigh solver. Tree of FC basis block matrices: - (3612, 3549), data: False |-- (420, 413), data: True |-- (420, 413), data: True |-- (420, 413), data: True |-- (784, 770), data: False |-- (784, 12), data: (784, 26) @ (26, 12) |-- (284, 272), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), data: True |-- (784, 770), data: False |-- (784, 10), data: (784, 24) @ (24, 10) |-- (284, 274), data: True |-- (500, 486), data: False |-- (500, 14), data: (500, 28) @ (28, 14) |-- (250, 236), data: True |-- (250, 236), data: True |-- (784, 770), data: False |-- (784, 14), data: (784, 28) @ (28, 14) |-- (284, 270), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), data: True Max drift after symmetrization by symfc projector: -0.00000000 (zz) -0.00000000 (zz) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 10:13:54]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 10:13:54]------------------------- Compiled with OpenMP support (max 32 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_12_12_1 (19) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.824509770000000 0.000000000000000 0.000000000000000 b 0.000000000000000 7.039648000000000 0.000000000000000 c 0.000000000000000 0.000000000000000 9.927011179999999 Atomic positions (fractional): 1 Ba 0.50355915309321 0.42121409775896 0.07846363989094 137.327 2 Ba 0.00355915309321 0.07878590224104 0.92153636010906 137.327 3 Ba 0.49644084690679 0.92121409775896 0.42153636010906 137.327 4 Ba 0.99644084690679 0.57878590224104 0.57846363989094 137.327 5 Nd 0.51216635994761 0.25236711653436 0.70159781686475 144.242 6 Nd 0.01216635994762 0.24763288346564 0.29840218313525 144.242 7 Nd 0.48783364005238 0.75236711653436 0.79840218313525 144.242 8 Nd 0.98783364005239 0.74763288346564 0.20159781686475 144.242 9 Ga 0.48796021734209 0.46181148178298 0.41876464820403 69.723 10 Ga 0.98796021734209 0.03818851821702 0.58123535179597 69.723 11 Ga 0.51203978265791 0.96181148178298 0.08123535179597 69.723 12 Ga 0.01203978265791 0.53818851821702 0.91876464820403 69.723 13 O 0.50252766687354 0.59931197303519 0.57856463414117 15.999 14 O 0.00252766687354 0.90068802696481 0.42143536585883 15.999 15 O 0.49747233312646 0.09931197303519 0.92143536585883 15.999 16 O 0.99747233312646 0.40068802696481 0.07856463414117 15.999 17 O 0.25647524000008 0.55044207525070 0.30290985998706 15.999 18 O 0.75647524000008 0.94955792474930 0.69709014001294 15.999 19 O 0.74352475999992 0.05044207525070 0.19709014001294 15.999 20 O 0.24352475999992 0.44955792474930 0.80290985998706 15.999 21 O 0.32090057362032 0.25064019646738 0.47642522352361 15.999 22 O 0.82090057362032 0.24935980353262 0.52357477647639 15.999 23 O 0.67909942637968 0.75064019646738 0.02357477647639 15.999 24 O 0.17909942637968 0.74935980353262 0.97642522352361 15.999 25 O 0.74416042845795 0.51546576625350 0.31532512255361 15.999 26 O 0.24416042845795 0.98453423374650 0.68467487744639 15.999 27 O 0.25583957154205 0.01546576625350 0.18467487744639 15.999 28 O 0.75583957154205 0.48453423374650 0.81532512255361 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.649019539999999 0.000000000000000 0.000000000000000 b 0.000000000000000 14.079295999999999 0.000000000000000 c 0.000000000000000 0.000000000000000 9.927011179999999 Atomic positions (fractional): 1 Ba 0.25177957654661 0.21060704887948 0.07846363989094 137.327 > 1 2 Ba 0.75177957654661 0.21060704887948 0.07846363989094 137.327 > 1 3 Ba 0.25177957654661 0.71060704887948 0.07846363989094 137.327 > 1 4 Ba 0.75177957654661 0.71060704887948 0.07846363989094 137.327 > 1 5 Ba 0.00177957654661 0.03939295112052 0.92153636010906 137.327 > 5 6 Ba 0.50177957654661 0.03939295112052 0.92153636010906 137.327 > 5 7 Ba 0.00177957654661 0.53939295112052 0.92153636010906 137.327 > 5 8 Ba 0.50177957654661 0.53939295112052 0.92153636010906 137.327 > 5 9 Ba 0.24822042345339 0.46060704887948 0.42153636010906 137.327 > 9 10 Ba 0.74822042345339 0.46060704887948 0.42153636010906 137.327 > 9 11 Ba 0.24822042345339 0.96060704887948 0.42153636010906 137.327 > 9 12 Ba 0.74822042345339 0.96060704887948 0.42153636010906 137.327 > 9 13 Ba 0.49822042345339 0.28939295112052 0.57846363989094 137.327 > 13 14 Ba 0.99822042345339 0.28939295112052 0.57846363989094 137.327 > 13 15 Ba 0.49822042345339 0.78939295112052 0.57846363989094 137.327 > 13 16 Ba 0.99822042345339 0.78939295112052 0.57846363989094 137.327 > 13 17 Nd 0.25608317997381 0.12618355826718 0.70159781686475 144.242 > 17 18 Nd 0.75608317997381 0.12618355826718 0.70159781686475 144.242 > 17 19 Nd 0.25608317997381 0.62618355826718 0.70159781686475 144.242 > 17 20 Nd 0.75608317997381 0.62618355826718 0.70159781686475 144.242 > 17 21 Nd 0.00608317997381 0.12381644173282 0.29840218313525 144.242 > 21 22 Nd 0.50608317997381 0.12381644173282 0.29840218313525 144.242 > 21 23 Nd 0.00608317997381 0.62381644173282 0.29840218313525 144.242 > 21 24 Nd 0.50608317997381 0.62381644173282 0.29840218313525 144.242 > 21 25 Nd 0.24391682002619 0.37618355826718 0.79840218313525 144.242 > 25 26 Nd 0.74391682002619 0.37618355826718 0.79840218313525 144.242 > 25 27 Nd 0.24391682002619 0.87618355826718 0.79840218313525 144.242 > 25 28 Nd 0.74391682002619 0.87618355826718 0.79840218313525 144.242 > 25 29 Nd 0.49391682002619 0.37381644173282 0.20159781686475 144.242 > 29 30 Nd 0.99391682002619 0.37381644173282 0.20159781686475 144.242 > 29 31 Nd 0.49391682002619 0.87381644173282 0.20159781686475 144.242 > 29 32 Nd 0.99391682002619 0.87381644173282 0.20159781686475 144.242 > 29 33 Ga 0.24398010867105 0.23090574089149 0.41876464820403 69.723 > 33 34 Ga 0.74398010867105 0.23090574089149 0.41876464820403 69.723 > 33 35 Ga 0.24398010867105 0.73090574089149 0.41876464820403 69.723 > 33 36 Ga 0.74398010867105 0.73090574089149 0.41876464820403 69.723 > 33 37 Ga 0.49398010867105 0.01909425910851 0.58123535179597 69.723 > 37 38 Ga 0.99398010867105 0.01909425910851 0.58123535179597 69.723 > 37 39 Ga 0.49398010867105 0.51909425910851 0.58123535179597 69.723 > 37 40 Ga 0.99398010867105 0.51909425910851 0.58123535179597 69.723 > 37 41 Ga 0.25601989132895 0.48090574089149 0.08123535179597 69.723 > 41 42 Ga 0.75601989132895 0.48090574089149 0.08123535179597 69.723 > 41 43 Ga 0.25601989132895 0.98090574089149 0.08123535179597 69.723 > 41 44 Ga 0.75601989132895 0.98090574089149 0.08123535179597 69.723 > 41 45 Ga 0.00601989132895 0.26909425910851 0.91876464820403 69.723 > 45 46 Ga 0.50601989132895 0.26909425910851 0.91876464820403 69.723 > 45 47 Ga 0.00601989132895 0.76909425910851 0.91876464820403 69.723 > 45 48 Ga 0.50601989132895 0.76909425910851 0.91876464820403 69.723 > 45 49 O 0.25126383343677 0.29965598651759 0.57856463414117 15.999 > 49 50 O 0.75126383343677 0.29965598651759 0.57856463414117 15.999 > 49 51 O 0.25126383343677 0.79965598651759 0.57856463414117 15.999 > 49 52 O 0.75126383343677 0.79965598651759 0.57856463414117 15.999 > 49 53 O 0.00126383343677 0.45034401348241 0.42143536585883 15.999 > 53 54 O 0.50126383343677 0.45034401348241 0.42143536585883 15.999 > 53 55 O 0.00126383343677 0.95034401348241 0.42143536585883 15.999 > 53 56 O 0.50126383343677 0.95034401348241 0.42143536585883 15.999 > 53 57 O 0.24873616656323 0.04965598651759 0.92143536585883 15.999 > 57 58 O 0.74873616656323 0.04965598651759 0.92143536585883 15.999 > 57 59 O 0.24873616656323 0.54965598651759 0.92143536585883 15.999 > 57 60 O 0.74873616656323 0.54965598651759 0.92143536585883 15.999 > 57 61 O 0.49873616656323 0.20034401348241 0.07856463414117 15.999 > 61 62 O 0.99873616656323 0.20034401348241 0.07856463414117 15.999 > 61 63 O 0.49873616656323 0.70034401348241 0.07856463414117 15.999 > 61 64 O 0.99873616656323 0.70034401348241 0.07856463414117 15.999 > 61 65 O 0.12823762000004 0.27522103762535 0.30290985998706 15.999 > 65 66 O 0.62823762000004 0.27522103762535 0.30290985998706 15.999 > 65 67 O 0.12823762000004 0.77522103762535 0.30290985998706 15.999 > 65 68 O 0.62823762000004 0.77522103762535 0.30290985998706 15.999 > 65 69 O 0.37823762000004 0.47477896237465 0.69709014001294 15.999 > 69 70 O 0.87823762000004 0.47477896237465 0.69709014001294 15.999 > 69 71 O 0.37823762000004 0.97477896237465 0.69709014001294 15.999 > 69 72 O 0.87823762000004 0.97477896237465 0.69709014001294 15.999 > 69 73 O 0.37176237999996 0.02522103762535 0.19709014001294 15.999 > 73 74 O 0.87176237999996 0.02522103762535 0.19709014001294 15.999 > 73 75 O 0.37176237999996 0.52522103762535 0.19709014001294 15.999 > 73 76 O 0.87176237999996 0.52522103762535 0.19709014001294 15.999 > 73 77 O 0.12176237999996 0.22477896237465 0.80290985998706 15.999 > 77 78 O 0.62176237999996 0.22477896237465 0.80290985998706 15.999 > 77 79 O 0.12176237999996 0.72477896237465 0.80290985998706 15.999 > 77 80 O 0.62176237999996 0.72477896237465 0.80290985998706 15.999 > 77 81 O 0.16045028681016 0.12532009823369 0.47642522352361 15.999 > 81 82 O 0.66045028681016 0.12532009823369 0.47642522352361 15.999 > 81 83 O 0.16045028681016 0.62532009823369 0.47642522352361 15.999 > 81 84 O 0.66045028681016 0.62532009823369 0.47642522352361 15.999 > 81 85 O 0.41045028681016 0.12467990176631 0.52357477647639 15.999 > 85 86 O 0.91045028681016 0.12467990176631 0.52357477647639 15.999 > 85 87 O 0.41045028681016 0.62467990176631 0.52357477647639 15.999 > 85 88 O 0.91045028681016 0.62467990176631 0.52357477647639 15.999 > 85 89 O 0.33954971318984 0.37532009823369 0.02357477647639 15.999 > 89 90 O 0.83954971318984 0.37532009823369 0.02357477647639 15.999 > 89 91 O 0.33954971318984 0.87532009823369 0.02357477647639 15.999 > 89 92 O 0.83954971318984 0.87532009823369 0.02357477647639 15.999 > 89 93 O 0.08954971318984 0.37467990176631 0.97642522352361 15.999 > 93 94 O 0.58954971318984 0.37467990176631 0.97642522352361 15.999 > 93 95 O 0.08954971318984 0.87467990176631 0.97642522352361 15.999 > 93 96 O 0.58954971318984 0.87467990176631 0.97642522352361 15.999 > 93 97 O 0.37208021422898 0.25773288312675 0.31532512255361 15.999 > 97 98 O 0.87208021422898 0.25773288312675 0.31532512255361 15.999 > 97 99 O 0.37208021422898 0.75773288312675 0.31532512255361 15.999 > 97 100 O 0.87208021422898 0.75773288312675 0.31532512255361 15.999 > 97 101 O 0.12208021422898 0.49226711687325 0.68467487744639 15.999 > 101 102 O 0.62208021422898 0.49226711687325 0.68467487744639 15.999 > 101 103 O 0.12208021422898 0.99226711687325 0.68467487744639 15.999 > 101 104 O 0.62208021422898 0.99226711687325 0.68467487744639 15.999 > 101 105 O 0.12791978577102 0.00773288312675 0.18467487744639 15.999 > 105 106 O 0.62791978577102 0.00773288312675 0.18467487744639 15.999 > 105 107 O 0.12791978577102 0.50773288312675 0.18467487744639 15.999 > 105 108 O 0.62791978577102 0.50773288312675 0.18467487744639 15.999 > 105 109 O 0.37791978577102 0.24226711687325 0.81532512255361 15.999 > 109 110 O 0.87791978577102 0.24226711687325 0.81532512255361 15.999 > 109 111 O 0.37791978577102 0.74226711687325 0.81532512255361 15.999 > 109 112 O 0.87791978577102 0.74226711687325 0.81532512255361 15.999 > 109 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.4657057 0.0000000 0.0000000 0.0000000 4.4984842 0.0000000 0.0000000 0.0000000 4.4824881 -------------------------- Born effective charges -------------------------- 1 Ba 2.7652736 0.0445016 -0.0172040 0.1123430 2.7654080 0.0843454 0.0221384 0.1026643 2.6107236 2 Ba 2.7652736 -0.0445016 0.0172040 -0.1123430 2.7654080 0.0843454 -0.0221384 0.1026643 2.6107236 3 Ba 2.7652736 -0.0445016 -0.0172040 -0.1123430 2.7654080 -0.0843454 0.0221384 -0.1026643 2.6107236 4 Ba 2.7652736 0.0445016 0.0172040 0.1123430 2.7654080 -0.0843454 -0.0221384 -0.1026643 2.6107236 5 Nd 3.7013862 0.0166161 -0.1061719 -0.1208314 4.2018879 0.1146860 -0.1199779 0.1659262 4.1822088 6 Nd 3.7013862 -0.0166161 0.1061719 0.1208314 4.2018879 0.1146860 0.1199779 0.1659262 4.1822088 7 Nd 3.7013862 -0.0166161 -0.1061719 0.1208314 4.2018879 -0.1146860 -0.1199779 -0.1659262 4.1822088 8 Nd 3.7013862 0.0166161 0.1061719 -0.1208314 4.2018879 -0.1146860 0.1199779 -0.1659262 4.1822088 9 Ga 3.1150971 0.0483124 0.0854763 0.0519585 2.5156323 -0.2198271 0.0844617 -0.1976037 2.8894714 10 Ga 3.1150971 -0.0483124 -0.0854763 -0.0519585 2.5156323 -0.2198271 -0.0844617 -0.1976037 2.8894714 11 Ga 3.1150971 -0.0483124 0.0854763 -0.0519585 2.5156323 0.2198271 0.0844617 0.1976037 2.8894714 12 Ga 3.1150971 0.0483124 -0.0854763 0.0519585 2.5156323 0.2198271 -0.0844617 0.1976037 2.8894714 13 O -1.9714329 -0.0169200 -0.0627726 -0.0009278 -2.3987336 -0.3600173 -0.0077801 -0.2815444 -2.8194676 14 O -1.9714329 0.0169200 0.0627726 0.0009278 -2.3987336 -0.3600173 0.0077801 -0.2815444 -2.8194676 15 O -1.9714329 0.0169200 -0.0627726 0.0009278 -2.3987336 0.3600173 -0.0077801 0.2815444 -2.8194676 16 O -1.9714329 -0.0169200 0.0627726 -0.0009278 -2.3987336 0.3600173 0.0077801 0.2815444 -2.8194676 17 O -2.6384739 0.3285895 -0.4423342 0.3046002 -2.3810263 0.3538849 -0.4702605 0.2687339 -2.2870866 18 O -2.6384739 -0.3285895 0.4423342 -0.3046002 -2.3810263 0.3538849 0.4702605 0.2687339 -2.2870866 19 O -2.6384739 -0.3285895 -0.4423342 -0.3046002 -2.3810263 -0.3538849 -0.4702605 -0.2687339 -2.2870866 20 O -2.6384739 0.3285895 0.4423342 0.3046002 -2.3810263 -0.3538849 0.4702605 -0.2687339 -2.2870866 21 O -2.2874955 -0.0756496 -0.4263005 -0.2187789 -2.4451238 0.0691998 -0.4236037 0.0628149 -2.3295792 22 O -2.2874955 0.0756496 0.4263005 0.2187789 -2.4451238 0.0691998 0.4236037 0.0628149 -2.3295792 23 O -2.2874955 0.0756496 -0.4263005 0.2187789 -2.4451238 -0.0691998 -0.4236037 -0.0628149 -2.3295792 24 O -2.2874955 -0.0756496 0.4263005 -0.2187789 -2.4451238 -0.0691998 0.4236037 -0.0628149 -2.3295792 25 O -2.6843547 -0.1217655 0.3949851 0.0357157 -2.2580445 0.1901267 0.3724384 0.1659112 -2.2462703 26 O -2.6843547 0.1217655 -0.3949851 -0.0357157 -2.2580445 0.1901267 -0.3724384 0.1659112 -2.2462703 27 O -2.6843547 0.1217655 0.3949851 -0.0357157 -2.2580445 -0.1901267 0.3724384 -0.1659112 -2.2462703 28 O -2.6843547 -0.1217655 -0.3949851 0.0357157 -2.2580445 -0.1901267 -0.3724384 -0.1659112 -2.2462703 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 17, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] 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] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 65, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 81, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] 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] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000000 (zzz) 0.00000000 (zzz) 0.00000000 (zzz) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000000 (xz) -0.00000000 (xz) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 10:14:29]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 10:14:30]------------------------- Compiled with OpenMP support (max 32 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_12_12_1 (19) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.824509770000000 0.000000000000000 0.000000000000000 b 0.000000000000000 7.039648000000000 0.000000000000000 c 0.000000000000000 0.000000000000000 9.927011179999999 Atomic positions (fractional): 1 Ba 0.50355915309321 0.42121409775896 0.07846363989094 137.327 2 Ba 0.00355915309321 0.07878590224104 0.92153636010906 137.327 3 Ba 0.49644084690679 0.92121409775896 0.42153636010906 137.327 4 Ba 0.99644084690679 0.57878590224104 0.57846363989094 137.327 5 Nd 0.51216635994761 0.25236711653436 0.70159781686475 144.242 6 Nd 0.01216635994762 0.24763288346564 0.29840218313525 144.242 7 Nd 0.48783364005238 0.75236711653436 0.79840218313525 144.242 8 Nd 0.98783364005239 0.74763288346564 0.20159781686475 144.242 9 Ga 0.48796021734209 0.46181148178298 0.41876464820403 69.723 10 Ga 0.98796021734209 0.03818851821702 0.58123535179597 69.723 11 Ga 0.51203978265791 0.96181148178298 0.08123535179597 69.723 12 Ga 0.01203978265791 0.53818851821702 0.91876464820403 69.723 13 O 0.50252766687354 0.59931197303519 0.57856463414117 15.999 14 O 0.00252766687354 0.90068802696481 0.42143536585883 15.999 15 O 0.49747233312646 0.09931197303519 0.92143536585883 15.999 16 O 0.99747233312646 0.40068802696481 0.07856463414117 15.999 17 O 0.25647524000008 0.55044207525070 0.30290985998706 15.999 18 O 0.75647524000008 0.94955792474930 0.69709014001294 15.999 19 O 0.74352475999992 0.05044207525070 0.19709014001294 15.999 20 O 0.24352475999992 0.44955792474930 0.80290985998706 15.999 21 O 0.32090057362032 0.25064019646738 0.47642522352361 15.999 22 O 0.82090057362032 0.24935980353262 0.52357477647639 15.999 23 O 0.67909942637968 0.75064019646738 0.02357477647639 15.999 24 O 0.17909942637968 0.74935980353262 0.97642522352361 15.999 25 O 0.74416042845795 0.51546576625350 0.31532512255361 15.999 26 O 0.24416042845795 0.98453423374650 0.68467487744639 15.999 27 O 0.25583957154205 0.01546576625350 0.18467487744639 15.999 28 O 0.75583957154205 0.48453423374650 0.81532512255361 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.649019539999999 0.000000000000000 0.000000000000000 b 0.000000000000000 14.079295999999999 0.000000000000000 c 0.000000000000000 0.000000000000000 9.927011179999999 Atomic positions (fractional): 1 Ba 0.25177957654661 0.21060704887948 0.07846363989094 137.327 > 1 2 Ba 0.75177957654661 0.21060704887948 0.07846363989094 137.327 > 1 3 Ba 0.25177957654661 0.71060704887948 0.07846363989094 137.327 > 1 4 Ba 0.75177957654661 0.71060704887948 0.07846363989094 137.327 > 1 5 Ba 0.00177957654661 0.03939295112052 0.92153636010906 137.327 > 5 6 Ba 0.50177957654661 0.03939295112052 0.92153636010906 137.327 > 5 7 Ba 0.00177957654661 0.53939295112052 0.92153636010906 137.327 > 5 8 Ba 0.50177957654661 0.53939295112052 0.92153636010906 137.327 > 5 9 Ba 0.24822042345339 0.46060704887948 0.42153636010906 137.327 > 9 10 Ba 0.74822042345339 0.46060704887948 0.42153636010906 137.327 > 9 11 Ba 0.24822042345339 0.96060704887948 0.42153636010906 137.327 > 9 12 Ba 0.74822042345339 0.96060704887948 0.42153636010906 137.327 > 9 13 Ba 0.49822042345339 0.28939295112052 0.57846363989094 137.327 > 13 14 Ba 0.99822042345339 0.28939295112052 0.57846363989094 137.327 > 13 15 Ba 0.49822042345339 0.78939295112052 0.57846363989094 137.327 > 13 16 Ba 0.99822042345339 0.78939295112052 0.57846363989094 137.327 > 13 17 Nd 0.25608317997381 0.12618355826718 0.70159781686475 144.242 > 17 18 Nd 0.75608317997381 0.12618355826718 0.70159781686475 144.242 > 17 19 Nd 0.25608317997381 0.62618355826718 0.70159781686475 144.242 > 17 20 Nd 0.75608317997381 0.62618355826718 0.70159781686475 144.242 > 17 21 Nd 0.00608317997381 0.12381644173282 0.29840218313525 144.242 > 21 22 Nd 0.50608317997381 0.12381644173282 0.29840218313525 144.242 > 21 23 Nd 0.00608317997381 0.62381644173282 0.29840218313525 144.242 > 21 24 Nd 0.50608317997381 0.62381644173282 0.29840218313525 144.242 > 21 25 Nd 0.24391682002619 0.37618355826718 0.79840218313525 144.242 > 25 26 Nd 0.74391682002619 0.37618355826718 0.79840218313525 144.242 > 25 27 Nd 0.24391682002619 0.87618355826718 0.79840218313525 144.242 > 25 28 Nd 0.74391682002619 0.87618355826718 0.79840218313525 144.242 > 25 29 Nd 0.49391682002619 0.37381644173282 0.20159781686475 144.242 > 29 30 Nd 0.99391682002619 0.37381644173282 0.20159781686475 144.242 > 29 31 Nd 0.49391682002619 0.87381644173282 0.20159781686475 144.242 > 29 32 Nd 0.99391682002619 0.87381644173282 0.20159781686475 144.242 > 29 33 Ga 0.24398010867105 0.23090574089149 0.41876464820403 69.723 > 33 34 Ga 0.74398010867105 0.23090574089149 0.41876464820403 69.723 > 33 35 Ga 0.24398010867105 0.73090574089149 0.41876464820403 69.723 > 33 36 Ga 0.74398010867105 0.73090574089149 0.41876464820403 69.723 > 33 37 Ga 0.49398010867105 0.01909425910851 0.58123535179597 69.723 > 37 38 Ga 0.99398010867105 0.01909425910851 0.58123535179597 69.723 > 37 39 Ga 0.49398010867105 0.51909425910851 0.58123535179597 69.723 > 37 40 Ga 0.99398010867105 0.51909425910851 0.58123535179597 69.723 > 37 41 Ga 0.25601989132895 0.48090574089149 0.08123535179597 69.723 > 41 42 Ga 0.75601989132895 0.48090574089149 0.08123535179597 69.723 > 41 43 Ga 0.25601989132895 0.98090574089149 0.08123535179597 69.723 > 41 44 Ga 0.75601989132895 0.98090574089149 0.08123535179597 69.723 > 41 45 Ga 0.00601989132895 0.26909425910851 0.91876464820403 69.723 > 45 46 Ga 0.50601989132895 0.26909425910851 0.91876464820403 69.723 > 45 47 Ga 0.00601989132895 0.76909425910851 0.91876464820403 69.723 > 45 48 Ga 0.50601989132895 0.76909425910851 0.91876464820403 69.723 > 45 49 O 0.25126383343677 0.29965598651759 0.57856463414117 15.999 > 49 50 O 0.75126383343677 0.29965598651759 0.57856463414117 15.999 > 49 51 O 0.25126383343677 0.79965598651759 0.57856463414117 15.999 > 49 52 O 0.75126383343677 0.79965598651759 0.57856463414117 15.999 > 49 53 O 0.00126383343677 0.45034401348241 0.42143536585883 15.999 > 53 54 O 0.50126383343677 0.45034401348241 0.42143536585883 15.999 > 53 55 O 0.00126383343677 0.95034401348241 0.42143536585883 15.999 > 53 56 O 0.50126383343677 0.95034401348241 0.42143536585883 15.999 > 53 57 O 0.24873616656323 0.04965598651759 0.92143536585883 15.999 > 57 58 O 0.74873616656323 0.04965598651759 0.92143536585883 15.999 > 57 59 O 0.24873616656323 0.54965598651759 0.92143536585883 15.999 > 57 60 O 0.74873616656323 0.54965598651759 0.92143536585883 15.999 > 57 61 O 0.49873616656323 0.20034401348241 0.07856463414117 15.999 > 61 62 O 0.99873616656323 0.20034401348241 0.07856463414117 15.999 > 61 63 O 0.49873616656323 0.70034401348241 0.07856463414117 15.999 > 61 64 O 0.99873616656323 0.70034401348241 0.07856463414117 15.999 > 61 65 O 0.12823762000004 0.27522103762535 0.30290985998706 15.999 > 65 66 O 0.62823762000004 0.27522103762535 0.30290985998706 15.999 > 65 67 O 0.12823762000004 0.77522103762535 0.30290985998706 15.999 > 65 68 O 0.62823762000004 0.77522103762535 0.30290985998706 15.999 > 65 69 O 0.37823762000004 0.47477896237465 0.69709014001294 15.999 > 69 70 O 0.87823762000004 0.47477896237465 0.69709014001294 15.999 > 69 71 O 0.37823762000004 0.97477896237465 0.69709014001294 15.999 > 69 72 O 0.87823762000004 0.97477896237465 0.69709014001294 15.999 > 69 73 O 0.37176237999996 0.02522103762535 0.19709014001294 15.999 > 73 74 O 0.87176237999996 0.02522103762535 0.19709014001294 15.999 > 73 75 O 0.37176237999996 0.52522103762535 0.19709014001294 15.999 > 73 76 O 0.87176237999996 0.52522103762535 0.19709014001294 15.999 > 73 77 O 0.12176237999996 0.22477896237465 0.80290985998706 15.999 > 77 78 O 0.62176237999996 0.22477896237465 0.80290985998706 15.999 > 77 79 O 0.12176237999996 0.72477896237465 0.80290985998706 15.999 > 77 80 O 0.62176237999996 0.72477896237465 0.80290985998706 15.999 > 77 81 O 0.16045028681016 0.12532009823369 0.47642522352361 15.999 > 81 82 O 0.66045028681016 0.12532009823369 0.47642522352361 15.999 > 81 83 O 0.16045028681016 0.62532009823369 0.47642522352361 15.999 > 81 84 O 0.66045028681016 0.62532009823369 0.47642522352361 15.999 > 81 85 O 0.41045028681016 0.12467990176631 0.52357477647639 15.999 > 85 86 O 0.91045028681016 0.12467990176631 0.52357477647639 15.999 > 85 87 O 0.41045028681016 0.62467990176631 0.52357477647639 15.999 > 85 88 O 0.91045028681016 0.62467990176631 0.52357477647639 15.999 > 85 89 O 0.33954971318984 0.37532009823369 0.02357477647639 15.999 > 89 90 O 0.83954971318984 0.37532009823369 0.02357477647639 15.999 > 89 91 O 0.33954971318984 0.87532009823369 0.02357477647639 15.999 > 89 92 O 0.83954971318984 0.87532009823369 0.02357477647639 15.999 > 89 93 O 0.08954971318984 0.37467990176631 0.97642522352361 15.999 > 93 94 O 0.58954971318984 0.37467990176631 0.97642522352361 15.999 > 93 95 O 0.08954971318984 0.87467990176631 0.97642522352361 15.999 > 93 96 O 0.58954971318984 0.87467990176631 0.97642522352361 15.999 > 93 97 O 0.37208021422898 0.25773288312675 0.31532512255361 15.999 > 97 98 O 0.87208021422898 0.25773288312675 0.31532512255361 15.999 > 97 99 O 0.37208021422898 0.75773288312675 0.31532512255361 15.999 > 97 100 O 0.87208021422898 0.75773288312675 0.31532512255361 15.999 > 97 101 O 0.12208021422898 0.49226711687325 0.68467487744639 15.999 > 101 102 O 0.62208021422898 0.49226711687325 0.68467487744639 15.999 > 101 103 O 0.12208021422898 0.99226711687325 0.68467487744639 15.999 > 101 104 O 0.62208021422898 0.99226711687325 0.68467487744639 15.999 > 101 105 O 0.12791978577102 0.00773288312675 0.18467487744639 15.999 > 105 106 O 0.62791978577102 0.00773288312675 0.18467487744639 15.999 > 105 107 O 0.12791978577102 0.50773288312675 0.18467487744639 15.999 > 105 108 O 0.62791978577102 0.50773288312675 0.18467487744639 15.999 > 105 109 O 0.37791978577102 0.24226711687325 0.81532512255361 15.999 > 109 110 O 0.87791978577102 0.24226711687325 0.81532512255361 15.999 > 109 111 O 0.37791978577102 0.74226711687325 0.81532512255361 15.999 > 109 112 O 0.87791978577102 0.74226711687325 0.81532512255361 15.999 > 109 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 4.4657057 0.0000000 0.0000000 0.0000000 4.4984842 0.0000000 0.0000000 0.0000000 4.4824881 -------------------------- Born effective charges -------------------------- 1 Ba 2.7652736 0.0445016 -0.0172040 0.1123430 2.7654080 0.0843454 0.0221384 0.1026643 2.6107236 2 Ba 2.7652736 -0.0445016 0.0172040 -0.1123430 2.7654080 0.0843454 -0.0221384 0.1026643 2.6107236 3 Ba 2.7652736 -0.0445016 -0.0172040 -0.1123430 2.7654080 -0.0843454 0.0221384 -0.1026643 2.6107236 4 Ba 2.7652736 0.0445016 0.0172040 0.1123430 2.7654080 -0.0843454 -0.0221384 -0.1026643 2.6107236 5 Nd 3.7013862 0.0166161 -0.1061719 -0.1208314 4.2018879 0.1146860 -0.1199779 0.1659262 4.1822088 6 Nd 3.7013862 -0.0166161 0.1061719 0.1208314 4.2018879 0.1146860 0.1199779 0.1659262 4.1822088 7 Nd 3.7013862 -0.0166161 -0.1061719 0.1208314 4.2018879 -0.1146860 -0.1199779 -0.1659262 4.1822088 8 Nd 3.7013862 0.0166161 0.1061719 -0.1208314 4.2018879 -0.1146860 0.1199779 -0.1659262 4.1822088 9 Ga 3.1150971 0.0483124 0.0854763 0.0519585 2.5156323 -0.2198271 0.0844617 -0.1976037 2.8894714 10 Ga 3.1150971 -0.0483124 -0.0854763 -0.0519585 2.5156323 -0.2198271 -0.0844617 -0.1976037 2.8894714 11 Ga 3.1150971 -0.0483124 0.0854763 -0.0519585 2.5156323 0.2198271 0.0844617 0.1976037 2.8894714 12 Ga 3.1150971 0.0483124 -0.0854763 0.0519585 2.5156323 0.2198271 -0.0844617 0.1976037 2.8894714 13 O -1.9714329 -0.0169200 -0.0627726 -0.0009278 -2.3987336 -0.3600173 -0.0077801 -0.2815444 -2.8194676 14 O -1.9714329 0.0169200 0.0627726 0.0009278 -2.3987336 -0.3600173 0.0077801 -0.2815444 -2.8194676 15 O -1.9714329 0.0169200 -0.0627726 0.0009278 -2.3987336 0.3600173 -0.0077801 0.2815444 -2.8194676 16 O -1.9714329 -0.0169200 0.0627726 -0.0009278 -2.3987336 0.3600173 0.0077801 0.2815444 -2.8194676 17 O -2.6384739 0.3285895 -0.4423342 0.3046002 -2.3810263 0.3538849 -0.4702605 0.2687339 -2.2870866 18 O -2.6384739 -0.3285895 0.4423342 -0.3046002 -2.3810263 0.3538849 0.4702605 0.2687339 -2.2870866 19 O -2.6384739 -0.3285895 -0.4423342 -0.3046002 -2.3810263 -0.3538849 -0.4702605 -0.2687339 -2.2870866 20 O -2.6384739 0.3285895 0.4423342 0.3046002 -2.3810263 -0.3538849 0.4702605 -0.2687339 -2.2870866 21 O -2.2874955 -0.0756496 -0.4263005 -0.2187789 -2.4451238 0.0691998 -0.4236037 0.0628149 -2.3295792 22 O -2.2874955 0.0756496 0.4263005 0.2187789 -2.4451238 0.0691998 0.4236037 0.0628149 -2.3295792 23 O -2.2874955 0.0756496 -0.4263005 0.2187789 -2.4451238 -0.0691998 -0.4236037 -0.0628149 -2.3295792 24 O -2.2874955 -0.0756496 0.4263005 -0.2187789 -2.4451238 -0.0691998 0.4236037 -0.0628149 -2.3295792 25 O -2.6843547 -0.1217655 0.3949851 0.0357157 -2.2580445 0.1901267 0.3724384 0.1659112 -2.2462703 26 O -2.6843547 0.1217655 -0.3949851 -0.0357157 -2.2580445 0.1901267 -0.3724384 0.1659112 -2.2462703 27 O -2.6843547 0.1217655 0.3949851 -0.0357157 -2.2580445 -0.1901267 0.3724384 -0.1659112 -2.2462703 28 O -2.6843547 -0.1217655 -0.3949851 0.0357157 -2.2580445 -0.1901267 -0.3724384 -0.1659112 -2.2462703 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000000 (zzz) 0.00000000 (zzz) 0.00000000 (zzz) Max drift of fc2: -0.00000000 (zz) -0.00000000 (zz) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 9 7 5 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.56, Number of G-points: 311, Lambda: 0.12 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/60) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 2.005 ( 0.000 0.000 0.000) 0.000 2.131 ( 0.000 0.000 0.000) 0.000 2.214 ( 0.000 0.000 0.000) 0.000 2.304 ( 0.000 0.000 0.000) 0.000 2.461 ( 0.000 0.000 0.000) 0.000 2.544 ( 0.000 0.000 0.000) 0.000 2.681 ( 0.000 0.000 0.000) 0.000 2.738 ( 0.000 0.000 0.000) 0.000 2.746 ( 0.000 0.000 0.000) 0.000 2.936 ( 0.000 0.000 0.000) 0.000 3.189 ( 0.000 0.000 0.000) 0.000 3.272 ( 0.000 0.000 0.000) 0.000 3.337 ( 0.000 0.000 0.000) 0.000 3.442 ( 0.000 0.000 0.000) 0.000 3.595 ( 0.000 0.000 0.000) 0.000 3.673 ( 0.000 0.000 0.000) 0.000 3.714 ( 0.000 0.000 0.000) 0.000 3.889 ( 0.000 0.000 0.000) 0.000 3.973 ( 0.000 0.000 0.000) 0.000 4.136 ( 0.000 0.000 0.000) 0.000 4.313 ( 0.000 0.000 0.000) 0.000 4.654 ( 0.000 0.000 0.000) 0.000 4.816 ( 0.000 0.000 0.000) 0.000 4.916 ( 0.000 0.000 0.000) 0.000 4.948 ( 0.000 0.000 0.000) 0.000 4.982 ( 0.000 0.000 0.000) 0.000 5.086 ( 0.000 0.000 0.000) 0.000 5.349 ( 0.000 0.000 0.000) 0.000 5.433 ( 0.000 0.000 0.000) 0.000 5.477 ( 0.000 0.000 0.000) 0.000 5.714 ( 0.000 0.000 0.000) 0.000 5.720 ( 0.000 0.000 0.000) 0.000 5.921 ( 0.000 0.000 0.000) 0.000 5.925 ( 0.000 0.000 0.000) 0.000 6.070 ( 0.000 0.000 0.000) 0.000 6.155 ( 0.000 0.000 0.000) 0.000 6.349 ( 0.000 0.000 0.000) 0.000 6.429 ( 0.000 0.000 0.000) 0.000 6.578 ( 0.000 0.000 0.000) 0.000 6.669 ( 0.000 0.000 0.000) 0.000 6.876 ( 0.000 0.000 0.000) 0.000 7.343 ( 0.000 0.000 0.000) 0.000 7.452 ( 0.000 0.000 0.000) 0.000 7.479 ( 0.000 0.000 0.000) 0.000 7.776 ( 0.000 0.000 0.000) 0.000 7.818 ( 0.000 0.000 0.000) 0.000 7.906 ( 0.000 0.000 0.000) 0.000 8.176 ( 0.000 0.000 0.000) 0.000 8.310 ( 0.000 0.000 0.000) 0.000 8.350 ( 0.000 0.000 0.000) 0.000 8.937 ( 0.000 0.000 0.000) 0.000 8.991 ( 0.000 0.000 0.000) 0.000 9.024 ( 0.000 0.000 0.000) 0.000 9.483 ( 0.000 0.000 0.000) 0.000 9.597 ( 0.000 0.000 0.000) 0.000 9.736 ( 0.000 0.000 0.000) 0.000 10.115 ( 0.000 0.000 0.000) 0.000 10.334 ( 0.000 0.000 0.000) 0.000 10.856 ( 0.000 0.000 0.000) 0.000 10.983 ( 0.000 0.000 0.000) 0.000 11.333 ( 0.000 0.000 0.000) 0.000 11.654 ( 0.000 0.000 0.000) 0.000 11.996 ( 0.000 0.000 0.000) 0.000 12.703 ( 0.000 0.000 0.000) 0.000 12.728 ( 0.000 0.000 0.000) 0.000 15.440 ( 0.000 0.000 0.000) 0.000 15.470 ( 0.000 0.000 0.000) 0.000 15.945 ( 0.000 0.000 0.000) 0.000 16.134 ( 0.000 0.000 0.000) 0.000 16.951 ( 0.000 0.000 0.000) 0.000 17.436 ( 0.000 0.000 0.000) 0.000 17.595 ( 0.000 0.000 0.000) 0.000 17.664 ( 0.000 0.000 0.000) 0.000 17.836 ( 0.000 0.000 0.000) 0.000 18.156 ( 0.000 0.000 0.000) 0.000 18.317 ( 0.000 0.000 0.000) 0.000 19.398 ( 0.000 0.000 0.000) 0.000 20.107 ( 0.000 0.000 0.000) 0.000 20.176 ( 0.000 0.000 0.000) 0.000 20.297 ( 0.000 0.000 0.000) 0.000 20.507 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/60) ======================= q-point: ( 0.11 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.402 ( 21.376 0.000 0.000) 21.376 0.595 ( 30.503 0.000 0.000) 30.503 1.064 ( 54.070 0.000 0.000) 54.070 2.020 ( 0.929 0.000 0.000) 0.929 2.123 ( -0.704 0.000 0.000) 0.704 2.205 ( -1.921 0.000 0.000) 1.921 2.325 ( 1.421 0.000 0.000) 1.421 2.458 ( -0.169 0.000 0.000) 0.169 2.551 ( 0.592 0.000 0.000) 0.592 2.681 ( -2.894 0.000 0.000) 2.894 2.693 ( 1.225 0.000 0.000) 1.225 2.815 ( 1.723 0.000 0.000) 1.723 3.049 ( 10.154 0.000 0.000) 10.154 3.168 ( -3.686 0.000 0.000) 3.686 3.318 ( 5.756 0.000 0.000) 5.756 3.420 ( -2.395 0.000 0.000) 2.395 3.513 ( -5.484 0.000 0.000) 5.484 3.644 ( 0.419 0.000 0.000) 0.419 3.705 ( -1.915 0.000 0.000) 1.915 3.720 ( 2.791 0.000 0.000) 2.791 4.049 ( 2.072 0.000 0.000) 2.072 4.111 ( 8.220 0.000 0.000) 8.220 4.125 ( 3.441 0.000 0.000) 3.441 4.417 ( 10.067 0.000 0.000) 10.067 4.655 ( 1.772 0.000 0.000) 1.772 4.839 ( -8.183 0.000 0.000) 8.183 4.948 ( 10.541 0.000 0.000) 10.541 5.018 ( 4.714 0.000 0.000) 4.714 5.084 ( 1.381 0.000 0.000) 1.381 5.086 ( 9.134 0.000 0.000) 9.134 5.426 ( -0.770 0.000 0.000) 0.770 5.443 ( 8.812 0.000 0.000) 8.812 5.610 ( 6.048 0.000 0.000) 6.048 5.681 ( -3.230 0.000 0.000) 3.230 5.850 ( 6.448 0.000 0.000) 6.448 5.971 ( 4.204 0.000 0.000) 4.204 6.055 ( -2.416 0.000 0.000) 2.416 6.090 ( 13.836 0.000 0.000) 13.836 6.151 ( -0.840 0.000 0.000) 0.840 6.409 ( -1.505 0.000 0.000) 1.505 6.528 ( -0.205 0.000 0.000) 0.205 6.685 ( 2.747 0.000 0.000) 2.747 6.810 ( 1.603 0.000 0.000) 1.603 7.129 ( -4.950 0.000 0.000) 4.950 7.344 ( -5.909 0.000 0.000) 5.909 7.388 ( 3.132 0.000 0.000) 3.132 7.658 ( 12.008 0.000 0.000) 12.008 7.829 ( 6.227 0.000 0.000) 6.227 7.935 ( 1.970 0.000 0.000) 1.970 7.992 ( 1.601 0.000 0.000) 1.601 8.168 ( 1.268 0.000 0.000) 1.268 8.365 ( 4.206 0.000 0.000) 4.206 8.441 ( 7.941 0.000 0.000) 7.941 8.916 ( -5.184 0.000 0.000) 5.184 9.039 ( -0.685 0.000 0.000) 0.685 9.499 ( 1.393 0.000 0.000) 1.393 9.661 ( 6.649 0.000 0.000) 6.649 9.706 ( -3.136 0.000 0.000) 3.136 10.014 ( -1.788 0.000 0.000) 1.788 10.205 ( 7.471 0.000 0.000) 7.471 10.789 ( -5.647 0.000 0.000) 5.647 10.951 ( -3.136 0.000 0.000) 3.136 11.295 ( 4.258 0.000 0.000) 4.258 11.477 ( -5.721 0.000 0.000) 5.721 11.997 ( -0.029 0.000 0.000) 0.029 12.434 ( -1.159 0.000 0.000) 1.159 12.556 ( -11.215 0.000 0.000) 11.215 12.738 ( -2.748 0.000 0.000) 2.748 15.503 ( 6.408 0.000 0.000) 6.408 15.922 ( -0.877 0.000 0.000) 0.877 15.981 ( 1.327 0.000 0.000) 1.327 16.220 ( 6.975 0.000 0.000) 6.975 17.000 ( 4.989 0.000 0.000) 4.989 17.448 ( 1.843 0.000 0.000) 1.843 17.694 ( 2.542 0.000 0.000) 2.542 17.721 ( -5.690 0.000 0.000) 5.690 18.024 ( 9.205 0.000 0.000) 9.205 18.282 ( -3.495 0.000 0.000) 3.495 19.407 ( 1.081 0.000 0.000) 1.081 19.826 ( -0.429 0.000 0.000) 0.429 20.074 ( -3.277 0.000 0.000) 3.277 20.157 ( -1.808 0.000 0.000) 1.808 20.298 ( -0.070 0.000 0.000) 0.070 20.506 ( -5.617 0.000 0.000) 5.617 ======================= Grid point 2 (3/60) ======================= q-point: ( 0.22 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.808 ( 21.102 0.000 0.000) 21.102 1.157 ( 28.104 0.000 0.000) 28.104 1.958 ( 19.544 0.000 0.000) 19.544 2.062 ( 19.328 0.000 0.000) 19.328 2.109 ( -0.662 0.000 0.000) 0.662 2.156 ( -2.910 0.000 0.000) 2.910 2.350 ( 1.696 0.000 0.000) 1.696 2.489 ( 5.594 0.000 0.000) 5.594 2.560 ( 0.173 0.000 0.000) 0.173 2.633 ( -2.655 0.000 0.000) 2.655 2.729 ( 2.543 0.000 0.000) 2.543 2.836 ( 1.060 0.000 0.000) 1.060 3.072 ( -4.789 0.000 0.000) 4.789 3.188 ( 1.506 0.000 0.000) 1.506 3.354 ( -5.742 0.000 0.000) 5.742 3.358 ( -2.799 0.000 0.000) 2.799 3.485 ( 4.307 0.000 0.000) 4.307 3.640 ( -4.277 0.000 0.000) 4.277 3.753 ( 1.737 0.000 0.000) 1.737 3.791 ( 14.291 0.000 0.000) 14.291 4.110 ( 0.157 0.000 0.000) 0.157 4.114 ( 4.448 0.000 0.000) 4.448 4.373 ( 12.083 0.000 0.000) 12.083 4.594 ( -5.107 0.000 0.000) 5.107 4.684 ( 4.143 0.000 0.000) 4.143 4.730 ( 5.739 0.000 0.000) 5.739 5.086 ( 5.485 0.000 0.000) 5.485 5.130 ( 6.967 0.000 0.000) 6.967 5.235 ( 12.099 0.000 0.000) 12.099 5.294 ( 10.590 0.000 0.000) 10.590 5.433 ( 2.149 0.000 0.000) 2.149 5.561 ( -2.953 0.000 0.000) 2.953 5.673 ( 6.378 0.000 0.000) 6.378 5.700 ( 3.719 0.000 0.000) 3.719 5.993 ( -3.048 0.000 0.000) 3.048 6.001 ( -0.165 0.000 0.000) 0.165 6.062 ( 7.110 0.000 0.000) 7.110 6.153 ( 9.342 0.000 0.000) 9.342 6.370 ( 13.866 0.000 0.000) 13.866 6.373 ( -2.854 0.000 0.000) 2.854 6.619 ( 6.293 0.000 0.000) 6.293 6.779 ( 5.872 0.000 0.000) 5.872 6.892 ( 9.956 0.000 0.000) 9.956 7.036 ( -3.210 0.000 0.000) 3.210 7.273 ( -0.570 0.000 0.000) 0.570 7.444 ( 3.397 0.000 0.000) 3.397 7.786 ( -0.553 0.000 0.000) 0.553 7.984 ( 5.881 0.000 0.000) 5.881 8.016 ( 6.685 0.000 0.000) 6.685 8.054 ( 7.432 0.000 0.000) 7.432 8.239 ( 4.521 0.000 0.000) 4.521 8.453 ( 5.821 0.000 0.000) 5.821 8.597 ( 7.465 0.000 0.000) 7.465 8.810 ( -5.965 0.000 0.000) 5.965 9.012 ( -1.469 0.000 0.000) 1.469 9.547 ( 4.645 0.000 0.000) 4.645 9.611 ( -7.116 0.000 0.000) 7.116 9.813 ( 7.832 0.000 0.000) 7.832 9.970 ( -3.176 0.000 0.000) 3.176 10.367 ( 8.548 0.000 0.000) 8.548 10.709 ( -1.066 0.000 0.000) 1.066 10.882 ( -3.389 0.000 0.000) 3.389 11.322 ( -9.233 0.000 0.000) 9.233 11.396 ( 5.590 0.000 0.000) 5.590 11.979 ( -2.689 0.000 0.000) 2.689 12.311 ( -13.509 0.000 0.000) 13.509 12.412 ( -1.011 0.000 0.000) 1.011 12.626 ( -8.254 0.000 0.000) 8.254 15.669 ( 10.555 0.000 0.000) 10.555 15.935 ( 2.124 0.000 0.000) 2.124 16.016 ( 2.283 0.000 0.000) 2.283 16.342 ( 4.860 0.000 0.000) 4.860 17.133 ( 8.581 0.000 0.000) 8.581 17.526 ( 6.359 0.000 0.000) 6.359 17.639 ( -2.766 0.000 0.000) 2.766 17.735 ( 1.321 0.000 0.000) 1.321 18.192 ( -5.740 0.000 0.000) 5.740 18.194 ( 8.031 0.000 0.000) 8.031 19.448 ( 3.441 0.000 0.000) 3.441 19.799 ( -2.859 0.000 0.000) 2.859 19.991 ( -5.169 0.000 0.000) 5.169 20.116 ( -2.138 0.000 0.000) 2.138 20.289 ( -0.931 0.000 0.000) 0.931 20.367 ( -8.261 0.000 0.000) 8.261 ======================= Grid point 3 (4/60) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.198 ( 19.506 0.000 0.000) 19.506 1.651 ( 23.081 0.000 0.000) 23.081 1.939 ( -5.229 0.000 0.000) 5.229 2.101 ( -2.191 0.000 0.000) 2.191 2.106 ( 0.759 0.000 0.000) 0.759 2.376 ( 3.262 0.000 0.000) 3.262 2.405 ( 4.260 0.000 0.000) 4.260 2.553 ( -1.061 0.000 0.000) 1.061 2.558 ( -4.955 0.000 0.000) 4.955 2.718 ( 5.122 0.000 0.000) 5.122 2.784 ( 2.978 0.000 0.000) 2.978 2.859 ( 0.182 0.000 0.000) 0.182 3.116 ( 5.037 0.000 0.000) 5.037 3.132 ( -4.878 0.000 0.000) 4.878 3.279 ( 9.761 0.000 0.000) 9.761 3.355 ( 2.436 0.000 0.000) 2.436 3.521 ( -0.837 0.000 0.000) 0.837 3.559 ( -3.533 0.000 0.000) 3.533 3.820 ( 5.157 0.000 0.000) 5.157 4.028 ( 5.109 0.000 0.000) 5.109 4.154 ( 6.119 0.000 0.000) 6.119 4.187 ( -0.015 0.000 0.000) 0.015 4.358 ( -9.389 0.000 0.000) 9.389 4.514 ( 2.250 0.000 0.000) 2.250 4.873 ( 9.213 0.000 0.000) 9.213 4.876 ( 9.996 0.000 0.000) 9.996 5.230 ( 1.880 0.000 0.000) 1.880 5.242 ( 10.956 0.000 0.000) 10.956 5.384 ( -1.626 0.000 0.000) 1.626 5.439 ( 4.464 0.000 0.000) 4.464 5.492 ( 0.920 0.000 0.000) 0.920 5.530 ( 8.007 0.000 0.000) 8.007 5.738 ( 0.768 0.000 0.000) 0.768 5.797 ( 6.058 0.000 0.000) 6.058 5.878 ( -7.814 0.000 0.000) 7.814 5.933 ( -2.286 0.000 0.000) 2.286 6.272 ( -4.237 0.000 0.000) 4.237 6.344 ( -2.826 0.000 0.000) 2.826 6.347 ( 16.778 0.000 0.000) 16.778 6.525 ( 9.622 0.000 0.000) 9.622 6.825 ( 17.483 0.000 0.000) 17.483 6.871 ( 4.257 0.000 0.000) 4.257 7.009 ( 1.780 0.000 0.000) 1.780 7.215 ( 17.934 0.000 0.000) 17.934 7.303 ( 1.451 0.000 0.000) 1.451 7.518 ( 3.619 0.000 0.000) 3.619 7.719 ( -5.273 0.000 0.000) 5.273 8.031 ( 2.301 0.000 0.000) 2.301 8.058 ( -3.878 0.000 0.000) 3.878 8.260 ( 11.139 0.000 0.000) 11.139 8.289 ( 0.768 0.000 0.000) 0.768 8.612 ( 8.638 0.000 0.000) 8.638 8.701 ( -3.422 0.000 0.000) 3.422 8.715 ( 5.054 0.000 0.000) 5.054 8.980 ( -2.333 0.000 0.000) 2.333 9.429 ( -11.766 0.000 0.000) 11.766 9.714 ( 13.161 0.000 0.000) 13.161 9.902 ( -3.131 0.000 0.000) 3.131 9.912 ( 1.955 0.000 0.000) 1.955 10.475 ( 0.948 0.000 0.000) 0.948 10.759 ( 4.512 0.000 0.000) 4.512 10.845 ( -0.362 0.000 0.000) 0.362 11.173 ( -3.092 0.000 0.000) 3.092 11.520 ( 7.279 0.000 0.000) 7.279 11.844 ( -12.095 0.000 0.000) 12.095 12.082 ( -10.313 0.000 0.000) 10.313 12.397 ( -0.599 0.000 0.000) 0.599 12.468 ( -6.889 0.000 0.000) 6.889 15.886 ( 11.442 0.000 0.000) 11.442 15.991 ( 3.239 0.000 0.000) 3.239 16.063 ( 2.565 0.000 0.000) 2.565 16.381 ( -1.015 0.000 0.000) 1.015 17.312 ( 9.646 0.000 0.000) 9.646 17.621 ( 1.181 0.000 0.000) 1.181 17.632 ( 1.052 0.000 0.000) 1.052 17.786 ( 6.799 0.000 0.000) 6.799 18.074 ( -6.042 0.000 0.000) 6.042 18.303 ( 2.507 0.000 0.000) 2.507 19.541 ( 6.127 0.000 0.000) 6.127 19.718 ( -4.833 0.000 0.000) 4.833 19.888 ( -5.142 0.000 0.000) 5.142 20.077 ( -2.962 0.000 0.000) 2.962 20.221 ( -5.734 0.000 0.000) 5.734 20.262 ( -1.793 0.000 0.000) 1.793 ======================= Grid point 4 (5/60) ======================= q-point: ( 0.44 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.538 ( 15.799 0.000 0.000) 15.799 1.791 ( -10.503 0.000 0.000) 10.503 1.986 ( 9.590 0.000 0.000) 9.590 2.067 ( -1.896 0.000 0.000) 1.896 2.176 ( 8.564 0.000 0.000) 8.564 2.361 ( -6.514 0.000 0.000) 6.514 2.475 ( -0.733 0.000 0.000) 0.733 2.512 ( 1.985 0.000 0.000) 1.985 2.516 ( 2.124 0.000 0.000) 2.124 2.656 ( -7.176 0.000 0.000) 7.176 2.839 ( 2.906 0.000 0.000) 2.906 2.874 ( 0.276 0.000 0.000) 0.276 3.046 ( -3.563 0.000 0.000) 3.563 3.052 ( -3.104 0.000 0.000) 3.104 3.438 ( 4.599 0.000 0.000) 4.599 3.486 ( -1.757 0.000 0.000) 1.757 3.534 ( 2.351 0.000 0.000) 2.351 3.591 ( 4.560 0.000 0.000) 4.560 3.974 ( 12.217 0.000 0.000) 12.217 4.038 ( -1.190 0.000 0.000) 1.190 4.064 ( -3.697 0.000 0.000) 3.697 4.202 ( -4.701 0.000 0.000) 4.701 4.381 ( 5.627 0.000 0.000) 5.627 4.484 ( -4.405 0.000 0.000) 4.405 5.049 ( 7.586 0.000 0.000) 7.586 5.049 ( 7.685 0.000 0.000) 7.685 5.212 ( -2.514 0.000 0.000) 2.514 5.257 ( -7.572 0.000 0.000) 7.572 5.472 ( 11.281 0.000 0.000) 11.281 5.490 ( 1.541 0.000 0.000) 1.541 5.517 ( -0.057 0.000 0.000) 0.057 5.642 ( -1.739 0.000 0.000) 1.739 5.734 ( -2.491 0.000 0.000) 2.491 5.736 ( -0.243 0.000 0.000) 0.243 5.940 ( 7.312 0.000 0.000) 7.312 5.969 ( 5.426 0.000 0.000) 5.426 6.122 ( -8.437 0.000 0.000) 8.437 6.158 ( -10.989 0.000 0.000) 10.989 6.650 ( 9.543 0.000 0.000) 9.543 6.695 ( 4.031 0.000 0.000) 4.031 6.999 ( 9.790 0.000 0.000) 9.790 7.051 ( 5.297 0.000 0.000) 5.297 7.197 ( 12.956 0.000 0.000) 12.956 7.269 ( -4.241 0.000 0.000) 4.241 7.375 ( -0.030 0.000 0.000) 0.030 7.569 ( -11.533 0.000 0.000) 11.533 7.664 ( 13.501 0.000 0.000) 13.501 7.905 ( -10.796 0.000 0.000) 10.796 8.128 ( 7.414 0.000 0.000) 7.414 8.255 ( -4.644 0.000 0.000) 4.644 8.444 ( 7.954 0.000 0.000) 7.954 8.570 ( -5.666 0.000 0.000) 5.666 8.800 ( 4.148 0.000 0.000) 4.148 8.839 ( 5.203 0.000 0.000) 5.203 8.950 ( 4.298 0.000 0.000) 4.298 9.178 ( -14.031 0.000 0.000) 14.031 9.873 ( 0.247 0.000 0.000) 0.247 9.901 ( -2.009 0.000 0.000) 2.009 10.025 ( 18.056 0.000 0.000) 18.056 10.346 ( -13.823 0.000 0.000) 13.823 10.823 ( 2.483 0.000 0.000) 2.483 10.849 ( -0.092 0.000 0.000) 0.092 11.282 ( 12.589 0.000 0.000) 12.589 11.565 ( -15.749 0.000 0.000) 15.749 11.677 ( 9.403 0.000 0.000) 9.403 11.878 ( -11.205 0.000 0.000) 11.205 12.388 ( -0.375 0.000 0.000) 0.375 12.392 ( -1.418 0.000 0.000) 1.418 16.043 ( 1.842 0.000 0.000) 1.842 16.044 ( 2.810 0.000 0.000) 2.810 16.150 ( 8.197 0.000 0.000) 8.197 16.305 ( -6.658 0.000 0.000) 6.658 17.474 ( 6.823 0.000 0.000) 6.823 17.580 ( -4.616 0.000 0.000) 4.616 17.697 ( 6.799 0.000 0.000) 6.799 17.841 ( -5.902 0.000 0.000) 5.902 18.084 ( 9.620 0.000 0.000) 9.620 18.264 ( -6.666 0.000 0.000) 6.666 19.642 ( 2.486 0.000 0.000) 2.486 19.655 ( -1.214 0.000 0.000) 1.214 19.841 ( 2.261 0.000 0.000) 2.261 19.962 ( -8.044 0.000 0.000) 8.044 20.188 ( 1.112 0.000 0.000) 1.112 20.223 ( -2.175 0.000 0.000) 2.175 ======================= Grid point 9 (6/60) ======================= q-point: ( 0.00 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.429 ( 0.000 21.222 0.000) 21.222 0.584 ( 0.000 28.470 0.000) 28.470 0.925 ( 0.000 44.158 0.000) 44.158 2.041 ( 0.000 3.250 0.000) 3.250 2.042 ( 0.000 -0.792 0.000) 0.792 2.268 ( 0.000 0.611 0.000) 0.611 2.481 ( 0.000 -8.175 0.000) 8.175 2.489 ( 0.000 -0.669 0.000) 0.669 2.500 ( 0.000 14.384 0.000) 14.384 2.684 ( 0.000 -3.219 0.000) 3.219 2.747 ( 0.000 1.537 0.000) 1.537 2.856 ( 0.000 4.659 0.000) 4.659 2.994 ( 0.000 5.165 0.000) 5.165 3.085 ( 0.000 -10.150 0.000) 10.150 3.219 ( 0.000 3.600 0.000) 3.600 3.368 ( 0.000 2.953 0.000) 2.953 3.576 ( 0.000 -0.150 0.000) 0.150 3.647 ( 0.000 9.411 0.000) 9.411 3.705 ( 0.000 3.370 0.000) 3.370 3.713 ( 0.000 -0.317 0.000) 0.317 3.885 ( 0.000 -0.653 0.000) 0.653 4.023 ( 0.000 4.343 0.000) 4.343 4.087 ( 0.000 -1.011 0.000) 1.011 4.504 ( 0.000 13.708 0.000) 13.708 4.512 ( 0.000 -12.998 0.000) 12.998 4.871 ( 0.000 -5.209 0.000) 5.209 4.881 ( 0.000 1.148 0.000) 1.148 4.898 ( 0.000 -6.166 0.000) 6.166 4.994 ( 0.000 4.211 0.000) 4.211 5.360 ( 0.000 -7.455 0.000) 7.455 5.418 ( 0.000 2.701 0.000) 2.701 5.487 ( 0.000 4.506 0.000) 4.506 5.635 ( 0.000 -5.476 0.000) 5.476 5.743 ( 0.000 -1.245 0.000) 1.245 5.854 ( 0.000 -2.089 0.000) 2.089 5.907 ( 0.000 -1.528 0.000) 1.528 6.068 ( 0.000 -2.357 0.000) 2.357 6.087 ( 0.000 0.672 0.000) 0.672 6.204 ( 0.000 3.848 0.000) 3.848 6.311 ( 0.000 -3.669 0.000) 3.669 6.392 ( 0.000 -2.443 0.000) 2.443 6.579 ( 0.000 -0.714 0.000) 0.714 6.664 ( 0.000 0.544 0.000) 0.544 6.983 ( 0.000 9.447 0.000) 9.447 7.291 ( 0.000 -4.141 0.000) 4.141 7.450 ( 0.000 -0.685 0.000) 0.685 7.451 ( 0.000 -4.837 0.000) 4.837 7.802 ( 0.000 -1.017 0.000) 1.017 7.820 ( 0.000 3.163 0.000) 3.163 7.935 ( 0.000 -8.231 0.000) 8.231 8.349 ( 0.000 3.414 0.000) 3.414 8.383 ( 0.000 2.514 0.000) 2.514 8.668 ( 0.000 6.814 0.000) 6.814 8.938 ( 0.000 0.489 0.000) 0.489 9.009 ( 0.000 1.188 0.000) 1.188 9.265 ( 0.000 -4.649 0.000) 4.649 9.540 ( 0.000 -4.706 0.000) 4.706 9.717 ( 0.000 -1.654 0.000) 1.654 10.133 ( 0.000 1.554 0.000) 1.554 10.325 ( 0.000 -0.884 0.000) 0.884 10.663 ( 0.000 -16.253 0.000) 16.253 10.703 ( 0.000 -19.667 0.000) 19.667 11.516 ( 0.000 11.171 0.000) 11.171 11.759 ( 0.000 9.162 0.000) 9.162 11.895 ( 0.000 8.880 0.000) 8.880 12.400 ( 0.000 -2.580 0.000) 2.580 12.725 ( 0.000 -0.267 0.000) 0.267 12.980 ( 0.000 -3.417 0.000) 3.417 15.444 ( 0.000 0.391 0.000) 0.391 15.449 ( 0.000 -1.435 0.000) 1.435 16.046 ( 0.000 8.989 0.000) 8.989 16.889 ( 0.000 -2.129 0.000) 2.129 16.981 ( 0.000 2.864 0.000) 2.864 17.536 ( 0.000 -4.249 0.000) 4.249 17.735 ( 0.000 5.097 0.000) 5.097 17.827 ( 0.000 -0.849 0.000) 0.849 18.075 ( 0.000 -4.551 0.000) 4.551 18.442 ( 0.000 9.093 0.000) 9.093 18.529 ( 0.000 -1.714 0.000) 1.714 19.359 ( 0.000 -5.295 0.000) 5.295 20.100 ( 0.000 -0.551 0.000) 0.551 20.193 ( 0.000 1.534 0.000) 1.534 20.356 ( 0.000 -3.072 0.000) 3.072 20.488 ( 0.000 -1.807 0.000) 1.807 ======================= Grid point 10 (7/60) ======================= q-point: ( 0.11 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.820 ( 20.711 19.722 0.000) 28.599 0.839 ( 17.229 23.375 0.000) 29.038 1.258 ( 38.813 21.854 0.000) 44.543 2.046 ( -0.328 1.165 0.000) 1.210 2.058 ( 1.206 1.443 0.000) 1.881 2.301 ( 2.509 1.941 0.000) 3.172 2.449 ( -1.048 7.937 0.000) 8.005 2.477 ( 0.899 -5.096 0.000) 5.174 2.537 ( 0.719 7.082 0.000) 7.118 2.648 ( -0.382 -1.300 0.000) 1.356 2.791 ( -0.519 2.550 0.000) 2.602 2.847 ( 1.065 4.953 0.000) 5.066 3.021 ( -0.825 -4.306 0.000) 4.384 3.131 ( 7.893 -3.745 0.000) 8.737 3.229 ( 2.002 2.987 0.000) 3.596 3.458 ( 0.463 -3.559 0.000) 3.589 3.522 ( -4.644 1.930 0.000) 5.029 3.622 ( -1.370 -0.737 0.000) 1.556 3.718 ( -1.850 0.929 0.000) 2.070 3.745 ( 7.649 8.157 0.000) 11.182 3.955 ( 5.815 -3.148 0.000) 6.612 4.087 ( 0.184 -0.952 0.000) 0.969 4.166 ( 12.950 4.546 0.000) 13.725 4.504 ( 2.744 -3.677 0.000) 4.588 4.604 ( 6.577 3.669 0.000) 7.532 4.837 ( -4.279 -1.218 0.000) 4.449 4.961 ( 8.325 -1.612 0.000) 8.480 4.988 ( 7.427 -0.648 0.000) 7.455 5.056 ( 7.662 0.228 0.000) 7.665 5.297 ( -4.222 0.710 0.000) 4.281 5.462 ( -9.266 3.354 0.000) 9.854 5.481 ( 4.358 0.522 0.000) 4.389 5.575 ( 5.757 1.653 0.000) 5.989 5.705 ( -2.295 0.312 0.000) 2.316 5.839 ( 8.476 -0.865 0.000) 8.520 5.939 ( 2.613 -2.058 0.000) 3.326 6.046 ( -1.999 -0.292 0.000) 2.020 6.141 ( 8.625 1.912 0.000) 8.835 6.202 ( -0.817 3.343 0.000) 3.442 6.340 ( 1.108 -3.643 0.000) 3.808 6.551 ( 0.610 0.474 0.000) 0.772 6.686 ( 3.874 0.663 0.000) 3.930 6.703 ( 12.190 -13.266 0.000) 18.016 6.977 ( -0.811 4.503 0.000) 4.575 7.344 ( 3.585 -1.503 0.000) 3.887 7.429 ( -2.507 0.298 0.000) 2.525 7.565 ( 9.887 -5.278 0.000) 11.208 7.808 ( 4.844 -3.958 0.000) 6.256 7.890 ( 0.571 -2.707 0.000) 2.767 7.975 ( 7.083 -1.706 0.000) 7.285 8.257 ( -6.119 6.324 0.000) 8.800 8.394 ( 4.081 2.800 0.000) 4.949 8.639 ( 0.986 10.850 0.000) 10.895 8.926 ( -5.755 0.637 0.000) 5.790 9.014 ( 2.437 -0.349 0.000) 2.462 9.370 ( 6.383 -5.999 0.000) 8.759 9.577 ( 3.887 -6.609 0.000) 7.667 9.709 ( -0.863 -1.444 0.000) 1.682 10.152 ( -5.590 4.541 0.000) 7.202 10.226 ( 2.177 0.856 0.000) 2.339 10.603 ( -2.363 -14.907 0.000) 15.093 10.734 ( 0.498 -15.353 0.000) 15.361 11.494 ( -2.067 9.756 0.000) 9.973 11.628 ( -7.402 13.700 0.000) 15.572 11.983 ( 3.158 2.136 0.000) 3.812 12.365 ( -2.918 -3.452 0.000) 4.520 12.630 ( -10.513 1.128 0.000) 10.573 12.813 ( -9.680 2.867 0.000) 10.095 15.486 ( 6.598 -1.109 0.000) 6.691 15.604 ( 9.004 -6.921 0.000) 11.357 16.144 ( 7.585 7.802 0.000) 10.881 16.654 ( -13.978 16.719 0.000) 21.792 17.032 ( 5.289 3.023 0.000) 6.092 17.493 ( -3.139 3.373 0.000) 4.608 17.637 ( -0.596 -3.095 0.000) 3.152 17.763 ( -3.252 2.001 0.000) 3.818 17.997 ( 2.093 -1.527 0.000) 2.590 18.397 ( 0.482 9.519 0.000) 9.531 19.181 ( 18.490 -25.330 0.000) 31.360 19.445 ( 11.780 -10.161 0.000) 15.557 20.064 ( -3.625 -0.959 0.000) 3.750 20.157 ( -3.890 0.835 0.000) 3.979 20.316 ( -2.309 -1.191 0.000) 2.598 20.465 ( -3.497 -2.416 0.000) 4.250 ======================= Grid point 11 (8/60) ======================= q-point: ( 0.22 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.116 ( 14.849 24.211 0.000) 28.401 1.269 ( 24.189 10.537 0.000) 26.385 1.955 ( 12.995 1.215 0.000) 13.052 2.067 ( -0.105 2.159 0.000) 2.162 2.132 ( 22.553 6.402 0.000) 23.444 2.338 ( 1.557 5.581 0.000) 5.795 2.429 ( -2.010 9.897 0.000) 10.099 2.520 ( 3.659 -0.910 0.000) 3.771 2.569 ( 4.686 4.508 0.000) 6.502 2.654 ( -0.221 1.264 0.000) 1.284 2.752 ( -1.610 1.961 0.000) 2.537 2.873 ( 1.180 3.671 0.000) 3.857 2.969 ( -2.571 -5.385 0.000) 5.968 3.233 ( -1.132 -3.868 0.000) 4.030 3.314 ( 3.983 3.477 0.000) 5.287 3.410 ( -6.248 2.087 0.000) 6.588 3.441 ( 2.107 -0.540 0.000) 2.175 3.616 ( 1.322 -6.525 0.000) 6.658 3.660 ( -3.675 0.972 0.000) 3.802 3.940 ( 10.644 6.833 0.000) 12.649 4.072 ( 6.320 -2.821 0.000) 6.921 4.105 ( 2.766 0.973 0.000) 2.932 4.391 ( 5.691 1.009 0.000) 5.780 4.601 ( 6.942 -2.209 0.000) 7.285 4.715 ( -3.474 1.601 0.000) 3.826 4.771 ( 8.351 6.660 0.000) 10.681 5.089 ( 6.419 -2.433 0.000) 6.865 5.183 ( 5.010 4.006 0.000) 6.415 5.227 ( 9.159 -0.430 0.000) 9.169 5.277 ( 6.953 -0.413 0.000) 6.965 5.422 ( 3.735 -1.686 0.000) 4.098 5.588 ( 1.727 2.059 0.000) 2.688 5.622 ( 0.461 -3.547 0.000) 3.577 5.704 ( 4.505 0.607 0.000) 4.546 5.933 ( -1.394 -3.897 0.000) 4.139 6.027 ( 0.032 -0.897 0.000) 0.898 6.104 ( 10.824 5.341 0.000) 12.070 6.158 ( 3.711 -2.334 0.000) 4.384 6.323 ( 2.781 -0.927 0.000) 2.932 6.365 ( 5.786 -1.323 0.000) 5.936 6.626 ( 4.010 -1.492 0.000) 4.279 6.818 ( 8.459 3.677 0.000) 9.224 6.893 ( 13.438 -2.938 0.000) 13.756 6.954 ( -0.178 0.455 0.000) 0.489 7.375 ( 0.885 7.519 0.000) 7.571 7.436 ( 4.102 -1.566 0.000) 4.390 7.720 ( 1.142 -5.280 0.000) 5.402 7.838 ( 3.539 -9.081 0.000) 9.747 8.005 ( 7.095 -3.968 0.000) 8.129 8.119 ( 7.961 3.834 0.000) 8.836 8.275 ( 6.443 3.556 0.000) 7.360 8.474 ( 4.233 2.030 0.000) 4.695 8.681 ( 2.500 6.101 0.000) 6.593 8.822 ( -5.041 1.344 0.000) 5.217 9.012 ( -1.606 1.133 0.000) 1.966 9.460 ( 2.912 -3.993 0.000) 4.942 9.621 ( -1.151 -3.658 0.000) 3.835 9.728 ( 4.051 -5.517 0.000) 6.845 10.018 ( -5.957 1.719 0.000) 6.200 10.350 ( 6.652 -2.300 0.000) 7.038 10.614 ( 4.200 -8.750 0.000) 9.706 10.732 ( 0.131 -9.791 0.000) 9.792 11.413 ( -6.942 6.639 0.000) 9.605 11.538 ( -1.084 11.788 0.000) 11.838 11.991 ( -2.499 1.138 0.000) 2.746 12.283 ( -7.619 -2.638 0.000) 8.063 12.409 ( -8.664 -0.271 0.000) 8.668 12.637 ( -9.770 0.058 0.000) 9.770 15.664 ( 11.456 -0.325 0.000) 11.461 15.767 ( 8.487 -4.742 0.000) 9.722 16.249 ( 2.429 10.175 0.000) 10.461 16.497 ( -3.578 13.306 0.000) 13.779 17.169 ( 8.552 3.620 0.000) 9.287 17.508 ( 4.310 -1.546 0.000) 4.579 17.615 ( -1.571 -2.252 0.000) 2.746 17.762 ( 1.872 2.510 0.000) 3.131 18.001 ( -2.187 -7.812 0.000) 8.112 18.433 ( 2.921 12.573 0.000) 12.908 19.332 ( 5.071 -12.536 0.000) 13.523 19.654 ( 6.045 -10.787 0.000) 12.366 19.975 ( -5.207 -1.792 0.000) 5.507 20.064 ( -4.859 -2.657 0.000) 5.537 20.284 ( -1.531 -0.522 0.000) 1.618 20.356 ( -7.328 -1.172 0.000) 7.421 ======================= Grid point 12 (9/60) ======================= q-point: ( 0.33 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.409 ( 15.389 18.326 0.000) 23.930 1.701 ( 19.835 5.239 0.000) 20.516 1.998 ( -0.634 5.745 0.000) 5.780 2.075 ( 1.893 2.808 0.000) 3.386 2.318 ( -2.208 11.870 0.000) 12.074 2.406 ( 1.245 3.426 0.000) 3.645 2.448 ( 4.364 3.934 0.000) 5.876 2.531 ( -1.671 -0.733 0.000) 1.825 2.608 ( -4.000 3.408 0.000) 5.255 2.735 ( 0.752 -1.394 0.000) 1.583 2.786 ( 4.540 2.644 0.000) 5.254 2.874 ( 0.269 1.374 0.000) 1.400 3.055 ( 7.935 -1.989 0.000) 8.181 3.146 ( -5.396 -0.435 0.000) 5.414 3.335 ( 1.954 2.624 0.000) 3.272 3.414 ( 10.539 6.033 0.000) 12.143 3.440 ( -2.331 -3.786 0.000) 4.446 3.587 ( -3.284 0.154 0.000) 3.288 3.725 ( 8.252 -5.675 0.000) 10.015 4.046 ( 1.319 -0.517 0.000) 1.416 4.178 ( 5.917 -1.203 0.000) 6.038 4.227 ( 0.531 5.442 0.000) 5.468 4.333 ( -3.412 0.020 0.000) 3.412 4.582 ( -4.156 4.212 0.000) 5.917 4.857 ( 12.180 -0.884 0.000) 12.212 4.958 ( 9.316 6.060 0.000) 11.114 5.194 ( 2.545 -3.310 0.000) 4.176 5.248 ( 6.332 -0.594 0.000) 6.360 5.359 ( 0.402 0.068 0.000) 0.408 5.417 ( 7.287 -2.026 0.000) 7.564 5.519 ( -1.802 0.374 0.000) 1.841 5.543 ( 5.413 0.553 0.000) 5.442 5.699 ( 3.390 -1.481 0.000) 3.699 5.813 ( 7.550 1.317 0.000) 7.664 5.865 ( -5.829 -0.814 0.000) 5.886 5.962 ( -4.163 1.609 0.000) 4.463 6.201 ( -4.891 -5.949 0.000) 7.702 6.334 ( 16.457 0.869 0.000) 16.480 6.364 ( -3.836 0.619 0.000) 3.886 6.498 ( 9.708 -2.580 0.000) 10.045 6.700 ( 5.512 -6.995 0.000) 8.906 6.971 ( 8.913 3.577 0.000) 9.604 7.036 ( 10.398 3.985 0.000) 11.136 7.249 ( 18.642 3.382 0.000) 18.946 7.404 ( -0.200 8.655 0.000) 8.658 7.525 ( 3.534 0.228 0.000) 3.541 7.651 ( -3.611 -5.990 0.000) 6.994 7.942 ( 4.740 -6.882 0.000) 8.356 8.060 ( -0.387 -0.783 0.000) 0.874 8.298 ( 9.045 2.066 0.000) 9.278 8.353 ( -0.106 5.857 0.000) 5.858 8.595 ( 6.748 -1.367 0.000) 6.884 8.693 ( -0.196 0.469 0.000) 0.509 8.776 ( 1.602 4.177 0.000) 4.474 8.971 ( -2.831 0.044 0.000) 2.831 9.400 ( -9.276 -1.756 0.000) 9.441 9.692 ( 10.016 -3.131 0.000) 10.494 9.786 ( 1.539 -7.380 0.000) 7.539 9.931 ( -3.386 -1.317 0.000) 3.633 10.406 ( -2.250 -7.355 0.000) 7.691 10.733 ( 6.384 -6.490 0.000) 9.104 10.792 ( 6.946 2.262 0.000) 7.305 11.295 ( -3.157 8.763 0.000) 9.314 11.565 ( 3.446 4.479 0.000) 5.651 11.860 ( -11.564 1.383 0.000) 11.647 12.080 ( -11.158 -0.305 0.000) 11.163 12.338 ( -1.205 -5.044 0.000) 5.186 12.458 ( -7.823 -1.698 0.000) 8.005 15.902 ( 12.958 1.439 0.000) 13.038 15.930 ( 8.359 -0.433 0.000) 8.370 16.248 ( -1.763 11.627 0.000) 11.760 16.448 ( -3.228 6.251 0.000) 7.035 17.336 ( 8.546 2.366 0.000) 8.868 17.576 ( 1.672 -3.836 0.000) 4.185 17.621 ( 0.426 -1.186 0.000) 1.260 17.833 ( 6.272 3.705 0.000) 7.284 17.937 ( -2.387 -8.399 0.000) 8.731 18.466 ( -0.814 11.596 0.000) 11.624 19.449 ( 7.165 -9.703 0.000) 12.062 19.672 ( -2.505 -3.870 0.000) 4.610 19.877 ( -5.071 -1.134 0.000) 5.196 20.008 ( -1.437 -6.140 0.000) 6.306 20.206 ( -6.680 -0.525 0.000) 6.700 20.254 ( -2.342 -1.015 0.000) 2.553 ======================= Grid point 13 (10/60) ======================= q-point: ( 0.44 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.683 ( 12.726 13.090 0.000) 18.256 1.868 ( -5.243 7.159 0.000) 8.873 2.056 ( 8.137 6.783 0.000) 10.594 2.129 ( 1.403 5.557 0.000) 5.731 2.291 ( 2.344 9.875 0.000) 10.149 2.400 ( -4.444 3.287 0.000) 5.528 2.477 ( 0.376 0.695 0.000) 0.791 2.520 ( -2.417 0.905 0.000) 2.581 2.552 ( 3.705 3.235 0.000) 4.919 2.667 ( -6.242 0.520 0.000) 6.264 2.836 ( 3.058 0.179 0.000) 3.063 2.892 ( -1.051 1.885 0.000) 2.158 3.036 ( -0.983 -0.704 0.000) 1.209 3.079 ( -3.700 2.103 0.000) 4.256 3.399 ( 0.660 -4.302 0.000) 4.353 3.409 ( -0.258 -3.760 0.000) 3.769 3.575 ( 5.236 2.318 0.000) 5.726 3.652 ( 2.716 4.421 0.000) 5.189 3.921 ( 10.039 -2.526 0.000) 10.352 4.044 ( -8.222 0.014 0.000) 8.222 4.093 ( 6.949 3.022 0.000) 7.578 4.266 ( -2.109 3.769 0.000) 4.319 4.369 ( 3.302 -0.205 0.000) 3.308 4.481 ( -6.365 -0.465 0.000) 6.382 5.067 ( 8.722 0.102 0.000) 8.722 5.117 ( 7.384 4.354 0.000) 8.572 5.184 ( -2.626 -3.190 0.000) 4.132 5.263 ( -5.417 0.559 0.000) 5.446 5.436 ( 6.206 1.079 0.000) 6.299 5.483 ( -0.226 -1.328 0.000) 1.347 5.514 ( 3.530 -1.231 0.000) 3.739 5.609 ( -1.505 -2.400 0.000) 2.832 5.730 ( 0.499 0.840 0.000) 0.976 5.760 ( -3.653 0.389 0.000) 3.673 5.960 ( 5.087 -1.241 0.000) 5.236 5.972 ( 7.599 3.426 0.000) 8.336 6.079 ( -5.898 -2.569 0.000) 6.433 6.181 ( -11.593 1.426 0.000) 11.681 6.590 ( 6.907 -4.383 0.000) 8.181 6.645 ( 1.711 -3.848 0.000) 4.211 6.869 ( 16.191 -6.400 0.000) 17.409 7.176 ( -8.668 0.674 0.000) 8.694 7.195 ( 11.939 2.163 0.000) 12.133 7.317 ( 2.339 3.896 0.000) 4.544 7.444 ( 1.223 6.515 0.000) 6.629 7.574 ( -5.670 1.145 0.000) 5.784 7.691 ( 13.230 2.651 0.000) 13.493 7.915 ( -8.564 0.450 0.000) 8.576 8.126 ( 8.532 -0.083 0.000) 8.532 8.282 ( -6.432 2.811 0.000) 7.020 8.448 ( 6.375 0.184 0.000) 6.378 8.557 ( -5.271 -1.074 0.000) 5.379 8.811 ( 4.412 0.587 0.000) 4.451 8.866 ( 3.270 2.905 0.000) 4.374 8.931 ( 5.628 -1.205 0.000) 5.755 9.174 ( -13.521 0.153 0.000) 13.522 9.808 ( 1.808 -6.251 0.000) 6.507 9.854 ( -2.126 -5.116 0.000) 5.540 9.969 ( 14.586 -4.399 0.000) 15.235 10.252 ( -12.938 -8.222 0.000) 15.329 10.852 ( 5.347 1.936 0.000) 5.687 10.895 ( 1.652 4.399 0.000) 4.699 11.355 ( 9.399 6.482 0.000) 11.417 11.596 ( -14.276 3.048 0.000) 14.597 11.671 ( 7.605 -0.507 0.000) 7.622 11.861 ( -11.580 -1.683 0.000) 11.701 12.332 ( 0.529 -4.858 0.000) 4.887 12.361 ( -2.768 -3.531 0.000) 4.487 16.074 ( 6.484 4.544 0.000) 7.917 16.126 ( 7.230 5.098 0.000) 8.847 16.207 ( 0.268 6.188 0.000) 6.193 16.345 ( -7.615 3.683 0.000) 8.459 17.477 ( 5.877 0.343 0.000) 5.887 17.571 ( -4.253 -0.815 0.000) 4.330 17.644 ( 5.987 -4.690 0.000) 7.605 17.782 ( -7.280 -5.891 0.000) 9.364 18.117 ( 14.738 4.640 0.000) 15.451 18.366 ( -9.884 8.381 0.000) 12.959 19.575 ( 4.817 -7.374 0.000) 8.807 19.633 ( -1.532 -2.604 0.000) 3.021 19.819 ( 1.227 -1.641 0.000) 2.049 19.927 ( -7.283 -2.981 0.000) 7.869 20.155 ( 1.406 -2.378 0.000) 2.763 20.204 ( -2.892 -1.654 0.000) 3.332 ======================= Grid point 18 (11/60) ======================= q-point: ( 0.00 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.863 ( 0.000 21.616 0.000) 21.616 1.148 ( 0.000 26.915 0.000) 26.915 1.743 ( 0.000 33.386 0.000) 33.386 2.094 ( 0.000 -2.245 0.000) 2.245 2.114 ( 0.000 6.485 0.000) 6.485 2.227 ( 0.000 -9.080 0.000) 9.080 2.285 ( 0.000 1.397 0.000) 1.397 2.512 ( 0.000 0.370 0.000) 0.370 2.568 ( 0.000 -8.392 0.000) 8.392 2.668 ( 0.000 2.836 0.000) 2.836 2.832 ( 0.000 -4.932 0.000) 4.932 2.916 ( 0.000 13.438 0.000) 13.438 3.069 ( 0.000 7.528 0.000) 7.528 3.113 ( 0.000 5.260 0.000) 5.260 3.340 ( 0.000 7.325 0.000) 7.325 3.457 ( 0.000 5.420 0.000) 5.420 3.521 ( 0.000 -4.756 0.000) 4.756 3.668 ( 0.000 -5.288 0.000) 5.288 3.713 ( 0.000 2.050 0.000) 2.050 3.865 ( 0.000 -0.701 0.000) 0.701 3.880 ( 0.000 7.931 0.000) 7.931 4.139 ( 0.000 7.083 0.000) 7.083 4.159 ( 0.000 7.328 0.000) 7.328 4.183 ( 0.000 -17.547 0.000) 17.547 4.727 ( 0.000 -8.158 0.000) 8.158 4.753 ( 0.000 -8.394 0.000) 8.394 4.781 ( 0.000 12.575 0.000) 12.575 4.966 ( 0.000 7.757 0.000) 7.757 5.114 ( 0.000 7.000 0.000) 7.000 5.173 ( 0.000 -9.129 0.000) 9.129 5.445 ( 0.000 -3.595 0.000) 3.595 5.513 ( 0.000 -4.322 0.000) 4.322 5.522 ( 0.000 -4.200 0.000) 4.200 5.666 ( 0.000 -5.930 0.000) 5.930 5.802 ( 0.000 -0.030 0.000) 0.030 5.910 ( 0.000 2.273 0.000) 2.273 6.038 ( 0.000 -5.630 0.000) 5.630 6.062 ( 0.000 2.442 0.000) 2.442 6.221 ( 0.000 -5.043 0.000) 5.043 6.278 ( 0.000 3.240 0.000) 3.240 6.359 ( 0.000 -0.951 0.000) 0.951 6.537 ( 0.000 -3.390 0.000) 3.390 6.715 ( 0.000 4.579 0.000) 4.579 7.191 ( 0.000 -6.348 0.000) 6.348 7.208 ( 0.000 11.378 0.000) 11.378 7.362 ( 0.000 -2.649 0.000) 2.649 7.412 ( 0.000 -2.608 0.000) 2.608 7.751 ( 0.000 -9.056 0.000) 9.056 7.803 ( 0.000 1.423 0.000) 1.423 7.873 ( 0.000 1.645 0.000) 1.645 8.426 ( 0.000 3.634 0.000) 3.634 8.436 ( 0.000 2.501 0.000) 2.501 8.808 ( 0.000 6.004 0.000) 6.004 8.961 ( 0.000 1.079 0.000) 1.079 9.018 ( 0.000 -0.299 0.000) 0.299 9.154 ( 0.000 -5.317 0.000) 5.317 9.465 ( 0.000 -1.021 0.000) 1.021 9.682 ( 0.000 -1.334 0.000) 1.334 10.171 ( 0.000 2.012 0.000) 2.012 10.289 ( 0.000 -7.843 0.000) 7.843 10.294 ( 0.000 -18.502 0.000) 18.502 10.316 ( 0.000 -11.978 0.000) 11.978 11.739 ( 0.000 11.048 0.000) 11.048 11.955 ( 0.000 8.786 0.000) 8.786 12.055 ( 0.000 5.843 0.000) 5.843 12.319 ( 0.000 -5.367 0.000) 5.367 12.723 ( 0.000 0.259 0.000) 0.259 12.892 ( 0.000 -4.876 0.000) 4.876 15.432 ( 0.000 -0.093 0.000) 0.093 15.452 ( 0.000 0.274 0.000) 0.274 16.265 ( 0.000 11.718 0.000) 11.718 16.820 ( 0.000 -4.855 0.000) 4.855 17.063 ( 0.000 5.013 0.000) 5.013 17.435 ( 0.000 -5.707 0.000) 5.707 17.809 ( 0.000 -0.641 0.000) 0.641 17.826 ( 0.000 2.378 0.000) 2.378 18.040 ( 0.000 2.539 0.000) 2.539 18.468 ( 0.000 -4.472 0.000) 4.472 18.640 ( 0.000 10.118 0.000) 10.118 19.218 ( 0.000 -8.219 0.000) 8.219 20.090 ( 0.000 -0.233 0.000) 0.233 20.213 ( 0.000 -1.044 0.000) 1.044 20.296 ( 0.000 -1.152 0.000) 1.152 20.440 ( 0.000 -2.782 0.000) 2.782 ======================= Grid point 19 (12/60) ======================= q-point: ( 0.11 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.201 ( 25.128 15.605 0.000) 29.579 1.269 ( 12.034 23.202 0.000) 26.137 1.835 ( 10.231 25.003 0.000) 27.016 2.086 ( 2.146 2.823 0.000) 3.546 2.144 ( 0.923 5.534 0.000) 5.610 2.316 ( 9.660 -5.467 0.000) 11.100 2.344 ( 3.938 1.199 0.000) 4.116 2.527 ( 2.113 1.328 0.000) 2.496 2.557 ( -0.432 -5.894 0.000) 5.910 2.688 ( 1.487 2.263 0.000) 2.708 2.808 ( -2.117 -3.376 0.000) 3.985 2.962 ( 3.048 9.830 0.000) 10.291 3.034 ( -2.607 8.036 0.000) 8.448 3.160 ( 3.538 4.223 0.000) 5.509 3.324 ( -0.659 4.625 0.000) 4.671 3.449 ( -1.223 1.869 0.000) 2.234 3.528 ( -0.335 -0.643 0.000) 0.725 3.595 ( -4.645 -3.784 0.000) 5.992 3.739 ( 0.233 2.700 0.000) 2.710 3.884 ( 2.222 -0.938 0.000) 2.412 3.939 ( 6.382 5.406 0.000) 8.364 4.113 ( -0.904 0.653 0.000) 1.115 4.248 ( 4.871 -9.342 0.000) 10.536 4.301 ( 13.692 5.773 0.000) 14.859 4.698 ( 0.160 -3.906 0.000) 3.910 4.833 ( 6.537 -2.027 0.000) 6.844 4.890 ( 7.312 2.595 0.000) 7.759 5.038 ( 6.580 4.125 0.000) 7.766 5.140 ( 3.083 6.587 0.000) 7.273 5.207 ( 5.036 -4.103 0.000) 6.496 5.386 ( -4.784 -7.309 0.000) 8.735 5.525 ( 1.846 1.732 0.000) 2.531 5.602 ( 4.796 -3.041 0.000) 5.679 5.674 ( 0.046 -1.631 0.000) 1.632 5.819 ( 4.616 -2.774 0.000) 5.385 5.911 ( 0.731 -0.488 0.000) 0.879 5.987 ( -3.218 -4.865 0.000) 5.833 6.140 ( 5.874 -0.259 0.000) 5.879 6.196 ( -1.612 -2.958 0.000) 3.369 6.385 ( 8.270 5.787 0.000) 10.094 6.471 ( 7.857 -4.968 0.000) 9.296 6.578 ( 6.498 -1.443 0.000) 6.657 6.731 ( 3.826 4.228 0.000) 5.702 7.130 ( -3.155 6.756 0.000) 7.456 7.280 ( 1.048 -6.441 0.000) 6.525 7.397 ( 5.792 2.159 0.000) 6.182 7.498 ( 7.756 -4.498 0.000) 8.966 7.752 ( -3.491 -1.068 0.000) 3.650 7.779 ( 3.998 -5.029 0.000) 6.425 7.970 ( 7.481 -0.667 0.000) 7.510 8.367 ( -4.287 4.416 0.000) 6.154 8.453 ( 2.626 2.440 0.000) 3.585 8.806 ( -0.401 5.491 0.000) 5.505 8.929 ( -4.302 -0.361 0.000) 4.317 9.056 ( 5.219 4.178 0.000) 6.685 9.268 ( 8.452 -4.561 0.000) 9.604 9.464 ( 0.460 -2.488 0.000) 2.530 9.670 ( -1.253 -1.876 0.000) 2.256 10.124 ( -9.833 -9.837 0.000) 13.909 10.207 ( 2.534 -2.222 0.000) 3.370 10.320 ( 3.591 -10.783 0.000) 11.365 10.436 ( 6.337 -10.314 0.000) 12.105 11.697 ( -4.230 10.696 0.000) 11.502 11.883 ( -6.040 10.267 0.000) 11.912 12.056 ( -0.717 3.399 0.000) 3.474 12.277 ( -3.813 -5.542 0.000) 6.727 12.639 ( -8.834 0.491 0.000) 8.848 12.798 ( -8.522 -3.226 0.000) 9.112 15.485 ( 6.703 0.983 0.000) 6.775 15.546 ( 8.043 -0.891 0.000) 8.092 16.334 ( 5.936 10.363 0.000) 11.943 16.794 ( -2.635 -0.196 0.000) 2.642 17.117 ( 5.930 5.167 0.000) 7.865 17.484 ( 3.838 -4.699 0.000) 6.067 17.648 ( -11.796 3.876 0.000) 12.416 17.786 ( -1.557 0.080 0.000) 1.559 18.006 ( -2.840 3.433 0.000) 4.456 18.575 ( 5.327 2.341 0.000) 5.819 18.792 ( 12.790 -7.572 0.000) 14.863 19.290 ( 7.629 -7.649 0.000) 10.803 20.043 ( -4.674 -0.799 0.000) 4.742 20.152 ( -6.071 -2.187 0.000) 6.452 20.291 ( -0.409 0.031 0.000) 0.410 20.417 ( -2.713 -2.426 0.000) 3.640 ======================= Grid point 20 (13/60) ======================= q-point: ( 0.22 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.551 ( 16.893 16.308 0.000) 23.481 1.586 ( 14.638 19.385 0.000) 24.291 2.014 ( 6.036 3.063 0.000) 6.769 2.138 ( 1.346 4.040 0.000) 4.258 2.321 ( 14.499 8.751 0.000) 16.935 2.410 ( 5.283 1.586 0.000) 5.516 2.482 ( 5.355 0.979 0.000) 5.443 2.560 ( 0.702 -0.728 0.000) 1.011 2.627 ( 7.577 3.474 0.000) 8.336 2.707 ( 0.314 0.998 0.000) 1.047 2.768 ( 0.449 -0.349 0.000) 0.569 2.970 ( -2.852 7.746 0.000) 8.254 3.007 ( 0.793 7.535 0.000) 7.576 3.200 ( -0.203 2.374 0.000) 2.382 3.345 ( 2.756 1.969 0.000) 3.387 3.437 ( -0.773 2.471 0.000) 2.589 3.488 ( -0.726 -0.474 0.000) 0.867 3.512 ( -4.305 -4.128 0.000) 5.964 3.713 ( -2.415 4.660 0.000) 5.249 3.956 ( 4.813 -3.806 0.000) 6.136 4.039 ( 1.794 -0.447 0.000) 1.849 4.196 ( 10.275 4.027 0.000) 11.036 4.324 ( 2.769 -6.186 0.000) 6.777 4.603 ( 15.012 5.045 0.000) 15.837 4.727 ( 0.529 -1.926 0.000) 1.998 4.900 ( 3.334 3.811 0.000) 5.064 5.031 ( 6.870 -3.401 0.000) 7.666 5.203 ( 8.350 -1.037 0.000) 8.414 5.220 ( 1.076 -0.900 0.000) 1.403 5.312 ( 5.774 4.304 0.000) 7.202 5.392 ( 8.421 0.016 0.000) 8.421 5.538 ( -0.270 -1.975 0.000) 1.994 5.644 ( -1.271 1.200 0.000) 1.748 5.711 ( 5.837 -0.008 0.000) 5.837 5.865 ( 0.868 -2.968 0.000) 3.093 5.954 ( -0.376 -6.024 0.000) 6.036 6.028 ( 7.330 -7.785 0.000) 10.693 6.189 ( 2.652 -2.549 0.000) 3.678 6.284 ( 9.230 1.364 0.000) 9.331 6.463 ( 0.338 7.529 0.000) 7.537 6.570 ( 3.978 0.549 0.000) 4.015 6.837 ( 13.713 0.118 0.000) 13.713 6.922 ( 17.759 3.987 0.000) 18.201 7.046 ( -3.339 5.915 0.000) 6.792 7.329 ( 5.353 -8.481 0.000) 10.029 7.531 ( 7.459 6.344 0.000) 9.792 7.620 ( -1.122 -11.397 0.000) 11.452 7.694 ( 2.205 4.020 0.000) 4.585 7.905 ( 7.801 -5.787 0.000) 9.714 8.131 ( 8.912 -2.893 0.000) 9.370 8.360 ( 4.371 4.318 0.000) 6.144 8.513 ( 3.085 1.052 0.000) 3.259 8.774 ( -2.976 2.655 0.000) 3.988 8.870 ( -1.866 2.745 0.000) 3.319 9.101 ( -1.006 7.953 0.000) 8.016 9.413 ( 5.018 -1.899 0.000) 5.366 9.502 ( 3.546 -3.506 0.000) 4.987 9.642 ( -1.125 -3.704 0.000) 3.871 9.951 ( -7.857 -8.353 0.000) 11.467 10.223 ( -0.805 -11.882 0.000) 11.909 10.450 ( 9.608 -3.472 0.000) 10.216 10.588 ( 10.264 -4.797 0.000) 11.329 11.589 ( -6.511 10.294 0.000) 12.180 11.767 ( -5.450 9.810 0.000) 11.222 12.014 ( -3.972 0.734 0.000) 4.039 12.196 ( -4.466 -6.074 0.000) 7.539 12.413 ( -13.432 0.877 0.000) 13.460 12.603 ( -11.418 -3.285 0.000) 11.881 15.677 ( 12.825 1.818 0.000) 12.953 15.735 ( 11.402 0.148 0.000) 11.403 16.438 ( 3.946 9.068 0.000) 9.889 16.722 ( -4.970 6.486 0.000) 8.171 17.274 ( 9.015 6.034 0.000) 10.848 17.486 ( -2.398 0.345 0.000) 2.423 17.553 ( 1.115 -3.695 0.000) 3.859 17.783 ( 0.669 -3.323 0.000) 3.390 17.935 ( -3.267 4.390 0.000) 5.472 18.663 ( 3.780 6.214 0.000) 7.273 19.002 ( 9.513 -13.532 0.000) 16.542 19.471 ( 9.305 -8.039 0.000) 12.297 19.930 ( -6.328 -2.136 0.000) 6.679 20.007 ( -8.438 -3.567 0.000) 9.161 20.276 ( -1.336 0.123 0.000) 1.341 20.333 ( -5.905 -0.980 0.000) 5.986 ======================= Grid point 21 (14/60) ======================= q-point: ( 0.33 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.821 ( 10.821 19.616 0.000) 22.403 1.864 ( 14.533 10.406 0.000) 17.874 2.132 ( 6.696 5.827 0.000) 8.877 2.170 ( 2.507 5.645 0.000) 6.176 2.421 ( 2.427 0.058 0.000) 2.428 2.498 ( 0.978 0.550 0.000) 1.122 2.552 ( -2.251 5.058 0.000) 5.536 2.594 ( 1.555 7.807 0.000) 7.961 2.628 ( 0.353 -5.129 0.000) 5.141 2.706 ( -2.000 5.185 0.000) 5.558 2.896 ( 0.414 6.846 0.000) 6.859 2.936 ( 3.184 3.991 0.000) 5.105 3.043 ( 1.514 0.286 0.000) 1.540 3.140 ( -3.388 0.775 0.000) 3.475 3.378 ( -2.181 1.773 0.000) 2.811 3.391 ( -4.714 -2.007 0.000) 5.124 3.497 ( 4.504 -0.118 0.000) 4.506 3.614 ( 16.489 4.563 0.000) 17.108 3.695 ( 1.399 3.290 0.000) 3.576 4.022 ( 1.393 -1.236 0.000) 1.862 4.092 ( 4.587 -6.243 0.000) 7.747 4.269 ( -3.473 -1.892 0.000) 3.955 4.433 ( 6.878 7.353 0.000) 10.068 4.626 ( -7.236 1.265 0.000) 7.346 4.862 ( 10.323 0.922 0.000) 10.364 5.027 ( 6.986 -0.020 0.000) 6.986 5.109 ( 0.592 -4.943 0.000) 4.978 5.208 ( 1.400 -3.554 0.000) 3.820 5.353 ( 7.064 -2.388 0.000) 7.456 5.451 ( 6.426 6.605 0.000) 9.215 5.486 ( -1.732 -2.447 0.000) 2.998 5.537 ( 2.999 0.377 0.000) 3.022 5.697 ( 6.671 0.617 0.000) 6.700 5.800 ( -2.123 -3.504 0.000) 4.097 5.882 ( 4.474 1.041 0.000) 4.594 5.954 ( 1.420 -1.723 0.000) 2.233 6.109 ( -0.721 -3.855 0.000) 3.922 6.300 ( 6.772 -1.881 0.000) 7.028 6.440 ( 3.027 5.501 0.000) 6.279 6.483 ( 7.160 0.838 0.000) 7.208 6.605 ( 0.418 1.154 0.000) 1.228 6.986 ( 5.220 -1.498 0.000) 5.430 7.144 ( 13.648 4.622 0.000) 14.410 7.338 ( 16.794 4.568 0.000) 17.404 7.430 ( 0.156 -9.881 0.000) 9.882 7.511 ( 0.673 -2.568 0.000) 2.654 7.663 ( 4.870 10.434 0.000) 11.515 7.811 ( 7.526 -3.812 0.000) 8.436 8.023 ( 4.292 -2.710 0.000) 5.076 8.294 ( 7.932 -3.263 0.000) 8.577 8.466 ( 1.680 4.165 0.000) 4.491 8.572 ( 3.608 -0.703 0.000) 3.676 8.717 ( -0.762 1.937 0.000) 2.081 8.857 ( 1.081 2.833 0.000) 3.033 9.040 ( -4.706 8.024 0.000) 9.302 9.393 ( -6.390 1.108 0.000) 6.486 9.584 ( 3.306 -4.577 0.000) 5.647 9.670 ( 5.041 -4.484 0.000) 6.746 9.830 ( -4.697 -8.774 0.000) 9.952 10.182 ( -3.877 -13.632 0.000) 14.173 10.669 ( 12.765 0.053 0.000) 12.765 10.814 ( 12.234 -0.584 0.000) 12.248 11.487 ( -3.012 10.209 0.000) 10.644 11.685 ( -3.017 6.527 0.000) 7.191 11.887 ( -9.571 0.874 0.000) 9.611 12.062 ( -11.469 -2.048 0.000) 11.650 12.220 ( -4.292 -5.458 0.000) 6.943 12.391 ( -9.793 -4.749 0.000) 10.884 15.948 ( 14.853 3.115 0.000) 15.176 15.967 ( 12.550 2.837 0.000) 12.866 16.465 ( -1.346 9.367 0.000) 9.463 16.604 ( -7.334 7.786 0.000) 10.696 17.401 ( 4.953 3.644 0.000) 6.149 17.489 ( 0.885 -3.961 0.000) 4.059 17.586 ( 1.170 -2.251 0.000) 2.537 17.733 ( -5.309 -8.674 0.000) 10.170 17.996 ( 10.488 9.944 0.000) 14.453 18.695 ( -1.448 8.793 0.000) 8.911 19.175 ( 8.695 -14.067 0.000) 16.537 19.575 ( 0.736 -6.320 0.000) 6.362 19.838 ( -5.616 -2.637 0.000) 6.205 19.875 ( -1.117 -5.672 0.000) 5.781 20.203 ( -6.788 0.248 0.000) 6.793 20.237 ( -2.953 -0.440 0.000) 2.986 ======================= Grid point 22 (15/60) ======================= q-point: ( 0.44 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.995 ( 6.774 15.429 0.000) 16.851 2.044 ( 2.924 9.153 0.000) 9.608 2.229 ( 4.511 8.497 0.000) 9.620 2.258 ( 3.567 6.387 0.000) 7.315 2.454 ( 0.630 1.477 0.000) 1.606 2.484 ( -2.967 6.168 0.000) 6.845 2.517 ( 2.260 3.153 0.000) 3.879 2.579 ( -2.107 4.512 0.000) 4.980 2.625 ( -0.500 3.797 0.000) 3.830 2.669 ( -2.458 1.926 0.000) 3.123 2.873 ( 1.110 4.121 0.000) 4.268 2.947 ( -5.147 2.638 0.000) 5.783 3.035 ( 3.737 1.182 0.000) 3.920 3.108 ( -2.725 0.264 0.000) 2.738 3.308 ( -1.625 -3.984 0.000) 4.303 3.333 ( -3.264 -4.094 0.000) 5.236 3.626 ( 8.628 2.739 0.000) 9.053 3.723 ( -0.340 1.725 0.000) 1.759 3.923 ( 7.575 2.701 0.000) 8.042 4.043 ( -6.844 -1.186 0.000) 6.946 4.145 ( 14.082 1.873 0.000) 14.206 4.302 ( 7.553 1.303 0.000) 7.665 4.422 ( -8.898 3.695 0.000) 9.635 4.473 ( -8.432 1.320 0.000) 8.535 5.017 ( 5.363 -4.661 0.000) 7.105 5.083 ( -2.412 -6.325 0.000) 6.769 5.141 ( 5.948 -1.515 0.000) 6.138 5.228 ( -1.501 -4.584 0.000) 4.823 5.443 ( 2.405 -2.546 0.000) 3.502 5.472 ( 0.616 -2.565 0.000) 2.638 5.551 ( 3.094 5.577 0.000) 6.377 5.572 ( 0.070 -0.289 0.000) 0.298 5.751 ( 0.986 1.611 0.000) 1.888 5.797 ( -0.353 3.797 0.000) 3.813 5.917 ( 3.832 -2.563 0.000) 4.610 6.019 ( -4.533 -2.057 0.000) 4.978 6.084 ( 6.570 5.832 0.000) 8.785 6.234 ( -8.273 5.190 0.000) 9.767 6.544 ( 3.459 0.604 0.000) 3.512 6.596 ( -1.735 -0.424 0.000) 1.786 6.750 ( 19.670 -4.946 0.000) 20.282 7.087 ( -8.486 -7.142 0.000) 11.092 7.203 ( 2.802 -2.701 0.000) 3.892 7.336 ( -2.497 -4.134 0.000) 4.830 7.568 ( 9.101 5.954 0.000) 10.876 7.695 ( -1.124 9.564 0.000) 9.630 7.754 ( 12.462 2.639 0.000) 12.738 7.896 ( -1.599 -2.014 0.000) 2.571 8.143 ( 10.731 2.136 0.000) 10.942 8.367 ( -9.591 4.917 0.000) 10.778 8.428 ( 5.384 -2.819 0.000) 6.077 8.536 ( -5.385 -0.884 0.000) 5.457 8.819 ( 6.472 0.743 0.000) 6.515 8.922 ( -2.562 2.002 0.000) 3.251 8.976 ( 7.686 6.480 0.000) 10.053 9.209 ( -12.266 3.453 0.000) 12.742 9.640 ( 3.305 -8.984 0.000) 9.573 9.707 ( -3.171 -9.086 0.000) 9.623 9.868 ( 9.400 -5.226 0.000) 10.755 10.058 ( -9.039 -10.086 0.000) 13.544 10.901 ( 10.140 2.997 0.000) 10.574 10.983 ( 3.089 3.287 0.000) 4.510 11.513 ( 6.197 8.477 0.000) 10.501 11.667 ( 1.777 0.512 0.000) 1.849 11.682 ( -10.058 5.003 0.000) 11.233 11.814 ( -12.552 -2.671 0.000) 12.833 12.202 ( 1.181 -7.584 0.000) 7.675 12.255 ( -4.593 -6.601 0.000) 8.042 16.198 ( 11.282 6.531 0.000) 13.036 16.221 ( 13.251 4.317 0.000) 13.936 16.381 ( -7.409 9.338 0.000) 11.920 16.442 ( -9.836 5.572 0.000) 11.305 17.487 ( 3.257 0.463 0.000) 3.290 17.526 ( 3.764 -5.692 0.000) 6.824 17.553 ( -2.863 -1.623 0.000) 3.291 17.633 ( -5.354 -7.824 0.000) 9.481 18.276 ( 16.791 10.678 0.000) 19.899 18.567 ( -12.078 10.889 0.000) 16.262 19.341 ( 8.994 -14.593 0.000) 17.142 19.508 ( -7.430 -10.294 0.000) 12.695 19.795 ( 2.877 -0.233 0.000) 2.887 19.876 ( -2.668 -1.736 0.000) 3.183 20.120 ( -0.282 -0.828 0.000) 0.875 20.170 ( -3.883 -1.520 0.000) 4.170 ======================= Grid point 27 (16/60) ======================= q-point: ( 0.00 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.305 ( 0.000 21.791 0.000) 21.791 1.664 ( 0.000 23.543 0.000) 23.543 1.735 ( 0.000 -19.866 0.000) 19.866 2.063 ( 0.000 -12.823 0.000) 12.823 2.229 ( 0.000 3.099 0.000) 3.099 2.234 ( 0.000 2.466 0.000) 2.466 2.341 ( 0.000 4.572 0.000) 4.572 2.440 ( 0.000 -4.148 0.000) 4.148 2.687 ( 0.000 21.071 0.000) 21.071 2.718 ( 0.000 2.516 0.000) 2.516 2.772 ( 0.000 -0.649 0.000) 0.649 3.101 ( 0.000 -10.171 0.000) 10.171 3.167 ( 0.000 10.168 0.000) 10.168 3.241 ( 0.000 7.308 0.000) 7.308 3.369 ( 0.000 -6.691 0.000) 6.691 3.409 ( 0.000 -9.068 0.000) 9.068 3.512 ( 0.000 7.382 0.000) 7.382 3.635 ( 0.000 0.425 0.000) 0.425 3.784 ( 0.000 4.215 0.000) 4.215 3.871 ( 0.000 0.626 0.000) 0.626 3.890 ( 0.000 -7.556 0.000) 7.556 3.945 ( 0.000 -1.702 0.000) 1.702 4.319 ( 0.000 10.350 0.000) 10.350 4.341 ( 0.000 10.258 0.000) 10.258 4.537 ( 0.000 -10.492 0.000) 10.492 4.559 ( 0.000 -10.609 0.000) 10.609 5.020 ( 0.000 11.071 0.000) 11.071 5.057 ( 0.000 -0.888 0.000) 0.888 5.123 ( 0.000 0.618 0.000) 0.618 5.218 ( 0.000 7.391 0.000) 7.391 5.271 ( 0.000 -10.913 0.000) 10.913 5.419 ( 0.000 -8.404 0.000) 8.404 5.456 ( 0.000 2.663 0.000) 2.663 5.544 ( 0.000 -4.764 0.000) 4.764 5.831 ( 0.000 1.862 0.000) 1.862 5.908 ( 0.000 -5.891 0.000) 5.891 5.989 ( 0.000 5.164 0.000) 5.164 6.106 ( 0.000 -6.053 0.000) 6.053 6.186 ( 0.000 8.752 0.000) 8.752 6.324 ( 0.000 -3.440 0.000) 3.440 6.340 ( 0.000 3.220 0.000) 3.220 6.435 ( 0.000 -6.172 0.000) 6.172 6.848 ( 0.000 8.225 0.000) 8.225 7.029 ( 0.000 -9.023 0.000) 9.023 7.345 ( 0.000 0.074 0.000) 0.074 7.349 ( 0.000 0.052 0.000) 0.052 7.433 ( 0.000 7.315 0.000) 7.315 7.583 ( 0.000 -7.482 0.000) 7.482 7.848 ( 0.000 2.438 0.000) 2.438 7.883 ( 0.000 -0.702 0.000) 0.702 8.476 ( 0.000 1.200 0.000) 1.200 8.478 ( 0.000 1.188 0.000) 1.188 8.886 ( 0.000 1.948 0.000) 1.948 8.930 ( 0.000 -2.890 0.000) 2.890 9.044 ( 0.000 2.209 0.000) 2.209 9.081 ( 0.000 -1.912 0.000) 1.912 9.534 ( 0.000 7.264 0.000) 7.264 9.660 ( 0.000 -2.323 0.000) 2.323 9.978 ( 0.000 -9.524 0.000) 9.524 10.006 ( 0.000 -10.247 0.000) 10.247 10.215 ( 0.000 2.186 0.000) 2.186 10.260 ( 0.000 -2.182 0.000) 2.182 11.960 ( 0.000 10.395 0.000) 10.395 12.094 ( 0.000 4.916 0.000) 4.916 12.109 ( 0.000 -1.560 0.000) 1.560 12.188 ( 0.000 -6.590 0.000) 6.590 12.742 ( 0.000 1.803 0.000) 1.803 12.800 ( 0.000 -3.846 0.000) 3.846 15.440 ( 0.000 0.687 0.000) 0.687 15.452 ( 0.000 -0.336 0.000) 0.336 16.497 ( 0.000 10.726 0.000) 10.726 16.689 ( 0.000 -8.027 0.000) 8.027 17.179 ( 0.000 6.236 0.000) 6.236 17.309 ( 0.000 -6.487 0.000) 6.487 17.807 ( 0.000 0.458 0.000) 0.458 17.826 ( 0.000 -1.162 0.000) 1.162 18.171 ( 0.000 8.660 0.000) 8.660 18.344 ( 0.000 -7.691 0.000) 7.691 18.844 ( 0.000 9.877 0.000) 9.877 19.039 ( 0.000 -9.270 0.000) 9.270 20.100 ( 0.000 1.419 0.000) 1.419 20.151 ( 0.000 -3.448 0.000) 3.448 20.323 ( 0.000 2.557 0.000) 2.557 20.381 ( 0.000 -2.952 0.000) 2.952 ======================= Grid point 28 (17/60) ======================= q-point: ( 0.11 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.521 ( 18.630 15.945 0.000) 24.522 1.726 ( 6.614 19.555 0.000) 20.643 1.841 ( 9.047 -11.521 0.000) 14.648 2.103 ( 3.759 -11.530 0.000) 12.127 2.241 ( 1.621 1.681 0.000) 2.336 2.266 ( 3.416 -0.623 0.000) 3.472 2.417 ( 6.882 4.085 0.000) 8.002 2.489 ( 6.010 -1.775 0.000) 6.267 2.690 ( -0.380 10.613 0.000) 10.620 2.744 ( 2.635 7.549 0.000) 7.996 2.756 ( -1.259 3.349 0.000) 3.578 3.102 ( 0.202 -8.899 0.000) 8.901 3.163 ( -0.681 8.853 0.000) 8.880 3.270 ( 2.446 7.616 0.000) 7.999 3.331 ( -2.563 -6.270 0.000) 6.774 3.422 ( 0.731 -7.144 0.000) 7.181 3.519 ( 0.455 6.850 0.000) 6.865 3.604 ( -3.310 3.641 0.000) 4.921 3.780 ( -0.614 -0.616 0.000) 0.870 3.851 ( -0.820 -5.021 0.000) 5.088 3.940 ( 4.412 -1.826 0.000) 4.775 4.002 ( 4.831 -1.834 0.000) 5.167 4.322 ( 1.378 10.101 0.000) 10.195 4.474 ( 12.122 7.644 0.000) 14.330 4.547 ( 2.429 -8.072 0.000) 8.430 4.679 ( 11.135 -9.307 0.000) 14.512 5.009 ( -2.037 3.429 0.000) 3.988 5.110 ( 5.368 2.505 0.000) 5.924 5.139 ( 0.498 -1.915 0.000) 1.979 5.276 ( 4.970 0.850 0.000) 5.042 5.317 ( 6.067 5.305 0.000) 8.060 5.515 ( 7.276 -1.393 0.000) 7.408 5.533 ( 9.076 -5.628 0.000) 10.680 5.567 ( 2.154 -4.464 0.000) 4.956 5.774 ( -4.510 1.109 0.000) 4.644 5.862 ( -3.494 -6.692 0.000) 7.549 5.960 ( -2.855 4.608 0.000) 5.420 6.075 ( -2.354 -6.170 0.000) 6.604 6.244 ( 5.276 7.615 0.000) 9.264 6.391 ( 5.191 -5.259 0.000) 7.390 6.485 ( 13.017 3.537 0.000) 13.489 6.538 ( 12.028 -2.217 0.000) 12.231 6.869 ( 3.023 9.070 0.000) 9.560 7.066 ( 3.714 -9.391 0.000) 10.098 7.290 ( -5.665 4.540 0.000) 7.259 7.384 ( 1.085 -5.250 0.000) 5.361 7.493 ( 6.643 5.846 0.000) 8.849 7.622 ( 5.273 -6.952 0.000) 8.725 7.838 ( -0.202 4.977 0.000) 4.981 7.928 ( 3.599 -3.451 0.000) 4.986 8.439 ( -2.210 2.736 0.000) 3.517 8.474 ( 0.221 -0.526 0.000) 0.570 8.867 ( -1.872 1.750 0.000) 2.562 8.909 ( -1.349 -1.944 0.000) 2.366 9.149 ( 9.421 3.888 0.000) 10.192 9.200 ( 9.983 -1.939 0.000) 10.170 9.510 ( -2.037 6.421 0.000) 6.736 9.636 ( -2.346 -2.986 0.000) 3.797 9.912 ( -5.690 -5.945 0.000) 8.229 9.993 ( -1.965 -11.539 0.000) 11.705 10.280 ( 6.505 1.750 0.000) 6.736 10.327 ( 6.709 -2.942 0.000) 7.326 11.917 ( -4.359 10.521 0.000) 11.388 12.039 ( -5.305 4.847 0.000) 7.186 12.081 ( -2.813 -1.744 0.000) 3.309 12.142 ( -4.365 -6.834 0.000) 8.109 12.663 ( -8.178 1.995 0.000) 8.418 12.721 ( -7.832 -3.691 0.000) 8.658 15.512 ( 7.645 1.389 0.000) 7.770 15.534 ( 8.032 -0.681 0.000) 8.061 16.543 ( 4.008 9.746 0.000) 10.538 16.714 ( 2.122 -6.785 0.000) 7.110 17.235 ( 5.845 6.292 0.000) 8.588 17.365 ( 5.256 -6.402 0.000) 8.284 17.720 ( -8.761 2.859 0.000) 9.216 17.767 ( -4.181 -1.778 0.000) 4.544 18.149 ( -1.856 10.121 0.000) 10.289 18.388 ( 3.440 -12.712 0.000) 13.170 18.913 ( 6.642 10.513 0.000) 12.436 19.118 ( 7.680 -9.333 0.000) 12.087 20.043 ( -5.715 0.967 0.000) 5.796 20.087 ( -6.305 -3.238 0.000) 7.088 20.319 ( -0.670 2.180 0.000) 2.280 20.367 ( -1.631 -2.452 0.000) 2.945 ======================= Grid point 29 (18/60) ======================= q-point: ( 0.22 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.867 ( 15.180 11.262 0.000) 18.902 1.904 ( 11.838 14.566 0.000) 18.770 2.022 ( 9.567 -2.277 0.000) 9.834 2.178 ( 3.564 -4.617 0.000) 5.833 2.299 ( 4.069 -4.068 0.000) 5.754 2.331 ( 3.361 -4.389 0.000) 5.528 2.563 ( 6.364 4.929 0.000) 8.050 2.660 ( 3.882 -4.162 0.000) 5.692 2.670 ( 1.565 4.183 0.000) 4.466 2.726 ( 3.192 -1.094 0.000) 3.375 2.834 ( 5.399 15.900 0.000) 16.792 3.097 ( -1.528 -4.403 0.000) 4.661 3.144 ( -1.523 8.385 0.000) 8.522 3.259 ( -2.394 1.999 0.000) 3.119 3.349 ( 2.406 -3.981 0.000) 4.652 3.420 ( -1.587 -5.296 0.000) 5.529 3.522 ( -1.224 7.648 0.000) 7.745 3.539 ( 0.526 6.071 0.000) 6.093 3.756 ( -0.753 0.325 0.000) 0.820 3.879 ( 3.867 -5.953 0.000) 7.098 4.014 ( 2.452 -1.132 0.000) 2.701 4.078 ( 2.517 -6.021 0.000) 6.526 4.423 ( 9.211 9.953 0.000) 13.562 4.618 ( 6.218 -7.997 0.000) 10.130 4.757 ( 12.370 8.103 0.000) 14.787 4.888 ( 6.796 -4.328 0.000) 8.057 4.990 ( 2.616 0.871 0.000) 2.757 5.094 ( -2.147 -8.250 0.000) 8.525 5.252 ( 6.025 4.996 0.000) 7.826 5.355 ( 4.216 -3.033 0.000) 5.194 5.476 ( 7.707 7.473 0.000) 10.735 5.564 ( -2.249 2.467 0.000) 3.338 5.680 ( 8.788 1.886 0.000) 8.988 5.693 ( 3.255 -1.107 0.000) 3.438 5.748 ( 3.214 -5.405 0.000) 6.289 5.843 ( 1.560 -8.048 0.000) 8.198 5.932 ( 3.122 2.937 0.000) 4.286 6.059 ( 2.927 -7.784 0.000) 8.316 6.371 ( 7.724 5.805 0.000) 9.662 6.475 ( 3.730 -3.302 0.000) 4.982 6.764 ( 13.848 11.023 0.000) 17.699 6.854 ( 15.893 0.905 0.000) 15.919 6.985 ( 10.467 2.569 0.000) 10.778 7.092 ( -5.118 -4.915 0.000) 7.096 7.222 ( 4.400 2.445 0.000) 5.034 7.367 ( -1.536 -10.948 0.000) 11.055 7.655 ( 8.826 5.495 0.000) 10.397 7.774 ( 9.477 -5.772 0.000) 11.096 7.849 ( 1.791 8.342 0.000) 8.532 8.019 ( 6.384 -7.516 0.000) 9.862 8.441 ( 2.901 3.628 0.000) 4.645 8.502 ( 2.636 -2.084 0.000) 3.360 8.822 ( -2.767 2.768 0.000) 3.914 8.880 ( -1.855 -2.066 0.000) 2.776 9.308 ( 4.273 10.326 0.000) 11.176 9.383 ( 6.862 0.305 0.000) 6.869 9.502 ( 3.224 0.404 0.000) 3.249 9.587 ( -1.970 -3.210 0.000) 3.766 9.777 ( -8.286 -2.864 0.000) 8.767 9.937 ( -3.257 -13.758 0.000) 14.139 10.453 ( 11.450 2.084 0.000) 11.638 10.509 ( 12.176 -3.276 0.000) 12.610 11.808 ( -6.370 10.734 0.000) 12.482 11.919 ( -6.633 4.389 0.000) 7.954 12.004 ( -5.196 -2.070 0.000) 5.594 12.046 ( -5.117 -7.549 0.000) 9.120 12.449 ( -13.438 2.757 0.000) 13.718 12.522 ( -12.432 -4.209 0.000) 13.125 15.720 ( 13.576 1.832 0.000) 13.699 15.740 ( 13.099 -0.119 0.000) 13.100 16.615 ( 2.796 8.073 0.000) 8.544 16.743 ( 0.145 -3.665 0.000) 3.668 17.381 ( 8.130 4.502 0.000) 9.293 17.470 ( 4.532 -4.307 0.000) 6.252 17.551 ( -7.722 5.491 0.000) 9.475 17.674 ( -5.145 -6.101 0.000) 7.981 18.136 ( 1.817 13.879 0.000) 13.997 18.465 ( 5.292 -17.500 0.000) 18.282 19.061 ( 7.590 11.484 0.000) 13.766 19.290 ( 8.908 -10.225 0.000) 13.561 19.904 ( -7.839 -0.081 0.000) 7.839 19.934 ( -8.981 -2.946 0.000) 9.452 20.291 ( -2.440 1.101 0.000) 2.677 20.313 ( -3.995 -1.037 0.000) 4.128 ======================= Grid point 30 (19/60) ======================= q-point: ( 0.33 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.089 ( 9.202 10.667 0.000) 14.087 2.127 ( 8.984 9.326 0.000) 12.949 2.209 ( 9.751 1.309 0.000) 9.839 2.247 ( 4.310 0.187 0.000) 4.314 2.375 ( 4.132 -2.800 0.000) 4.991 2.417 ( 5.549 -6.243 0.000) 8.353 2.589 ( -1.075 1.673 0.000) 1.988 2.607 ( -3.021 0.091 0.000) 3.022 2.760 ( 4.203 6.850 0.000) 8.037 2.849 ( 2.468 4.493 0.000) 5.126 2.916 ( 3.628 0.761 0.000) 3.707 3.036 ( -4.740 -1.511 0.000) 4.975 3.091 ( -3.590 8.000 0.000) 8.769 3.200 ( -3.810 2.116 0.000) 4.358 3.316 ( -5.399 -3.856 0.000) 6.634 3.347 ( -5.205 -3.917 0.000) 6.514 3.552 ( 5.608 5.286 0.000) 7.706 3.649 ( 5.719 -3.018 0.000) 6.466 3.848 ( 13.295 11.169 0.000) 17.363 3.985 ( 5.540 -1.500 0.000) 5.739 4.023 ( -0.906 -0.805 0.000) 1.212 4.125 ( 3.848 -10.705 0.000) 11.376 4.587 ( 4.659 7.455 0.000) 8.791 4.672 ( -2.973 0.752 0.000) 3.067 4.868 ( 3.394 1.362 0.000) 3.657 4.965 ( 0.444 -6.442 0.000) 6.458 5.039 ( 2.317 0.152 0.000) 2.322 5.105 ( 1.611 -5.565 0.000) 5.794 5.354 ( 5.222 2.527 0.000) 5.802 5.421 ( 1.991 -3.540 0.000) 4.062 5.518 ( 0.083 3.525 0.000) 3.526 5.609 ( 1.831 -2.052 0.000) 2.750 5.731 ( 3.118 2.853 0.000) 4.226 5.758 ( 3.958 3.117 0.000) 5.038 5.816 ( 2.845 -2.753 0.000) 3.959 5.929 ( 6.022 -6.643 0.000) 8.966 6.076 ( 8.886 5.334 0.000) 10.364 6.222 ( 12.020 -6.891 0.000) 13.855 6.518 ( 6.579 3.710 0.000) 7.553 6.546 ( 3.920 2.283 0.000) 4.536 6.790 ( -8.142 13.128 0.000) 15.448 6.948 ( -2.546 -1.968 0.000) 3.217 7.144 ( 9.207 -3.744 0.000) 9.939 7.210 ( 0.554 -10.662 0.000) 10.676 7.406 ( 13.884 2.092 0.000) 14.041 7.438 ( 15.014 -1.968 0.000) 15.143 7.812 ( 7.187 4.015 0.000) 8.232 7.868 ( 1.601 2.907 0.000) 3.319 7.991 ( 10.881 3.881 0.000) 11.552 8.165 ( 8.391 -8.856 0.000) 12.200 8.524 ( 2.962 1.996 0.000) 3.572 8.556 ( 2.112 -1.170 0.000) 2.414 8.774 ( -0.613 3.786 0.000) 3.835 8.854 ( 0.451 -3.027 0.000) 3.060 9.284 ( -5.180 14.550 0.000) 15.445 9.433 ( -1.809 3.452 0.000) 3.897 9.519 ( -1.631 -5.282 0.000) 5.528 9.589 ( -7.831 -12.617 0.000) 14.850 9.675 ( 6.114 6.386 0.000) 8.842 9.897 ( -0.915 -13.510 0.000) 13.541 10.707 ( 14.569 3.061 0.000) 14.888 10.773 ( 14.636 -3.045 0.000) 14.949 11.704 ( -3.979 10.584 0.000) 11.307 11.799 ( -5.684 3.829 0.000) 6.854 11.880 ( -7.918 -1.486 0.000) 8.056 11.950 ( -5.577 -8.140 0.000) 9.867 12.190 ( -12.140 2.575 0.000) 12.410 12.281 ( -11.676 -5.575 0.000) 12.939 16.005 ( 15.649 1.981 0.000) 15.774 16.014 ( 15.140 1.224 0.000) 15.189 16.627 ( -1.917 6.455 0.000) 6.734 16.698 ( -5.130 0.427 0.000) 5.148 17.442 ( -2.388 1.378 0.000) 2.757 17.480 ( 0.423 1.816 0.000) 1.864 17.531 ( 1.939 -2.511 0.000) 3.173 17.580 ( -4.442 -5.613 0.000) 7.158 18.262 ( 11.548 15.954 0.000) 19.695 18.608 ( 9.451 -16.131 0.000) 18.695 19.142 ( -0.728 10.332 0.000) 10.357 19.388 ( -0.878 -11.827 0.000) 11.860 19.791 ( -3.906 -0.877 0.000) 4.003 19.805 ( -0.858 -1.937 0.000) 2.119 20.215 ( -5.523 0.784 0.000) 5.578 20.229 ( -4.355 -0.518 0.000) 4.385 ======================= Grid point 31 (20/60) ======================= q-point: ( 0.44 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.209 ( 3.406 6.278 0.000) 7.143 2.225 ( 1.824 5.931 0.000) 6.205 2.336 ( 3.639 2.141 0.000) 4.222 2.348 ( 3.402 1.215 0.000) 3.612 2.476 ( 5.457 1.184 0.000) 5.584 2.516 ( 4.224 -2.575 0.000) 4.947 2.557 ( -1.405 2.330 0.000) 2.721 2.591 ( 0.050 -1.036 0.000) 1.037 2.776 ( -1.397 8.644 0.000) 8.756 2.816 ( -3.874 8.519 0.000) 9.359 2.946 ( 0.391 -0.670 0.000) 0.776 2.998 ( -3.372 0.608 0.000) 3.427 3.042 ( 3.714 2.677 0.000) 4.579 3.126 ( -4.100 0.836 0.000) 4.184 3.223 ( -2.616 -3.915 0.000) 4.709 3.247 ( -4.415 -4.136 0.000) 6.050 3.681 ( 5.955 2.395 0.000) 6.418 3.720 ( 1.871 -1.478 0.000) 2.384 3.974 ( -0.831 1.192 0.000) 1.453 3.996 ( -2.606 -1.995 0.000) 3.282 4.211 ( 17.978 4.527 0.000) 18.540 4.290 ( 11.614 -2.779 0.000) 11.942 4.515 ( -10.074 5.722 0.000) 11.585 4.549 ( -9.946 3.132 0.000) 10.427 4.915 ( 1.404 -3.793 0.000) 4.045 4.942 ( -1.602 -6.308 0.000) 6.508 5.096 ( 3.051 -1.454 0.000) 3.380 5.126 ( 0.329 -4.205 0.000) 4.218 5.431 ( 2.036 1.210 0.000) 2.368 5.442 ( 1.108 -0.245 0.000) 1.135 5.524 ( 0.353 -1.216 0.000) 1.266 5.565 ( -3.438 -3.897 0.000) 5.196 5.844 ( 5.631 1.212 0.000) 5.760 5.857 ( 5.241 3.889 0.000) 6.526 5.878 ( 2.560 0.717 0.000) 2.658 5.959 ( -2.793 -3.494 0.000) 4.474 6.245 ( 8.931 9.643 0.000) 13.143 6.379 ( -0.518 2.748 0.000) 2.797 6.545 ( -0.251 0.326 0.000) 0.411 6.600 ( -1.305 0.306 0.000) 1.341 6.750 ( 7.728 5.175 0.000) 9.301 6.906 ( -3.987 -9.667 0.000) 10.457 7.139 ( -0.954 -1.626 0.000) 1.885 7.200 ( -3.277 -6.943 0.000) 7.677 7.678 ( 12.976 4.254 0.000) 13.655 7.747 ( 11.466 -2.596 0.000) 11.756 7.860 ( -2.985 4.644 0.000) 5.520 7.884 ( -0.614 0.824 0.000) 1.028 8.213 ( 12.571 4.806 0.000) 13.458 8.332 ( 8.357 -6.104 0.000) 10.349 8.454 ( -8.714 3.461 0.000) 9.376 8.509 ( -6.973 -2.034 0.000) 7.264 8.870 ( 8.826 4.325 0.000) 9.828 8.946 ( 6.402 -1.394 0.000) 6.553 9.151 ( -5.394 10.214 0.000) 11.550 9.279 ( -12.519 0.978 0.000) 12.557 9.494 ( 0.302 -4.637 0.000) 4.647 9.513 ( -1.139 -7.800 0.000) 7.883 9.794 ( 5.252 -0.697 0.000) 5.298 9.870 ( -2.629 -7.603 0.000) 8.045 10.967 ( 10.738 3.114 0.000) 11.180 11.010 ( 7.457 -0.661 0.000) 7.486 11.658 ( -1.115 4.212 0.000) 4.357 11.722 ( -7.247 -0.800 0.000) 7.291 11.724 ( -0.760 4.486 0.000) 4.550 11.802 ( -8.238 0.978 0.000) 8.296 12.063 ( -0.949 -3.831 0.000) 3.947 12.113 ( -5.702 -6.595 0.000) 8.718 16.291 ( 13.534 2.300 0.000) 13.728 16.295 ( 13.257 2.196 0.000) 13.438 16.531 ( -7.936 4.789 0.000) 9.269 16.549 ( -10.025 3.391 0.000) 10.583 17.432 ( 1.042 -2.053 0.000) 2.302 17.464 ( -1.739 -4.212 0.000) 4.556 17.518 ( -0.742 -0.069 0.000) 0.745 17.535 ( -1.477 -1.406 0.000) 2.039 18.535 ( 15.335 14.131 0.000) 20.853 18.738 ( -1.183 0.625 0.000) 1.338 19.089 ( 1.332 -4.064 0.000) 4.277 19.250 ( -11.088 -13.493 0.000) 17.464 19.811 ( 4.001 1.483 0.000) 4.267 19.844 ( 1.907 -1.609 0.000) 2.495 20.121 ( -2.951 0.736 0.000) 3.041 20.142 ( -4.178 -1.255 0.000) 4.362 ======================= Grid point 63 (21/60) ======================= q-point: ( 0.00 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.555 ( 0.000 0.000 28.548) 28.548 0.617 ( 0.000 0.000 28.439) 28.439 1.139 ( 0.000 0.000 54.614) 54.614 1.902 ( 0.000 0.000 -11.336) 11.336 2.064 ( 0.000 0.000 -16.116) 16.116 2.151 ( 0.000 0.000 -0.885) 0.885 2.192 ( 0.000 0.000 -1.816) 1.816 2.478 ( 0.000 0.000 0.036) 0.036 2.526 ( 0.000 0.000 -1.578) 1.578 2.741 ( 0.000 0.000 4.736) 4.736 2.777 ( 0.000 0.000 3.490) 3.490 2.846 ( 0.000 0.000 7.202) 7.202 2.977 ( 0.000 0.000 3.592) 3.592 3.189 ( 0.000 0.000 -1.504) 1.504 3.272 ( 0.000 0.000 -5.434) 5.434 3.290 ( 0.000 0.000 3.504) 3.504 3.398 ( 0.000 0.000 -4.583) 4.583 3.578 ( 0.000 0.000 -1.575) 1.575 3.675 ( 0.000 0.000 -1.681) 1.681 3.802 ( 0.000 0.000 -8.221) 8.221 3.838 ( 0.000 0.000 -6.366) 6.366 4.072 ( 0.000 0.000 -3.954) 3.954 4.124 ( 0.000 0.000 11.260) 11.260 4.346 ( 0.000 0.000 2.267) 2.267 4.686 ( 0.000 0.000 -13.635) 13.635 4.695 ( 0.000 0.000 3.400) 3.400 4.901 ( 0.000 0.000 -0.866) 0.866 4.992 ( 0.000 0.000 5.127) 5.127 4.996 ( 0.000 0.000 1.952) 1.952 5.130 ( 0.000 0.000 5.185) 5.185 5.418 ( 0.000 0.000 2.628) 2.628 5.486 ( 0.000 0.000 -0.245) 0.245 5.535 ( 0.000 0.000 5.625) 5.625 5.713 ( 0.000 0.000 -9.563) 9.563 5.820 ( 0.000 0.000 8.851) 8.851 5.902 ( 0.000 0.000 -2.220) 2.220 6.018 ( 0.000 0.000 5.666) 5.666 6.197 ( 0.000 0.000 2.841) 2.841 6.253 ( 0.000 0.000 -0.428) 0.428 6.342 ( 0.000 0.000 -1.534) 1.534 6.585 ( 0.000 0.000 2.415) 2.415 6.607 ( 0.000 0.000 -0.554) 0.554 6.764 ( 0.000 0.000 -9.864) 9.864 7.180 ( 0.000 0.000 -10.239) 10.239 7.374 ( 0.000 0.000 -4.456) 4.456 7.497 ( 0.000 0.000 1.361) 1.361 7.498 ( 0.000 0.000 5.459) 5.459 7.700 ( 0.000 0.000 -5.483) 5.483 7.707 ( 0.000 0.000 -8.939) 8.939 7.875 ( 0.000 0.000 -3.180) 3.180 8.267 ( 0.000 0.000 2.096) 2.096 8.276 ( 0.000 0.000 7.589) 7.589 8.585 ( 0.000 0.000 10.335) 10.335 8.873 ( 0.000 0.000 -4.418) 4.418 9.061 ( 0.000 0.000 1.613) 1.613 9.220 ( 0.000 0.000 -5.831) 5.831 9.534 ( 0.000 0.000 5.119) 5.119 9.797 ( 0.000 0.000 3.726) 3.726 10.163 ( 0.000 0.000 5.103) 5.103 10.325 ( 0.000 0.000 -0.764) 0.764 10.652 ( 0.000 0.000 -10.129) 10.129 11.146 ( 0.000 0.000 11.001) 11.001 11.171 ( 0.000 0.000 -15.224) 15.224 11.565 ( 0.000 0.000 -5.369) 5.369 11.584 ( 0.000 0.000 4.636) 4.636 11.980 ( 0.000 0.000 -2.912) 2.912 12.901 ( 0.000 0.000 16.814) 16.814 13.858 ( 0.000 0.000 -8.426) 8.426 15.454 ( 0.000 0.000 1.190) 1.190 15.473 ( 0.000 0.000 0.277) 0.277 16.132 ( 0.000 0.000 -0.102) 0.102 16.134 ( 0.000 0.000 0.016) 0.016 16.998 ( 0.000 0.000 4.509) 4.509 17.393 ( 0.000 0.000 -4.182) 4.182 17.595 ( 0.000 0.000 -0.005) 0.005 17.646 ( 0.000 0.000 -1.497) 1.497 17.869 ( 0.000 0.000 2.875) 2.875 18.117 ( 0.000 0.000 -3.556) 3.556 19.451 ( 0.000 0.000 4.970) 4.970 19.838 ( 0.000 0.000 -4.400) 4.400 20.202 ( 0.000 0.000 2.255) 2.255 20.293 ( 0.000 0.000 -0.369) 0.369 20.423 ( 0.000 0.000 0.336) 0.336 20.496 ( 0.000 0.000 -1.093) 1.093 ======================= Grid point 64 (22/60) ======================= q-point: ( 0.11 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.684 ( 10.754 0.000 21.574) 24.106 0.913 ( 22.710 0.000 21.488) 31.264 1.480 ( 32.341 0.000 36.104) 48.471 1.892 ( -0.572 0.000 -11.254) 11.268 2.086 ( 1.467 0.000 -10.289) 10.393 2.180 ( 2.047 0.000 -0.163) 2.053 2.217 ( 3.290 0.000 -3.211) 4.597 2.476 ( -0.283 0.000 0.074) 0.292 2.533 ( 0.406 0.000 -1.735) 1.782 2.707 ( -4.267 0.000 4.813) 6.432 2.761 ( 0.051 0.000 3.576) 3.577 2.874 ( 1.169 0.000 3.933) 4.103 3.061 ( 6.480 0.000 1.856) 6.741 3.148 ( -2.194 0.000 -1.102) 2.455 3.328 ( 2.868 0.000 -4.466) 5.308 3.346 ( 2.399 0.000 -3.061) 3.889 3.440 ( 2.917 0.000 -3.185) 4.319 3.540 ( -0.412 0.000 -2.806) 2.836 3.660 ( -0.853 0.000 -0.468) 0.973 3.745 ( -3.413 0.000 -2.267) 4.098 3.911 ( 5.996 0.000 -10.003) 11.662 4.079 ( 1.188 0.000 -5.867) 5.986 4.276 ( 10.697 0.000 10.241) 14.809 4.442 ( 8.703 0.000 0.492) 8.717 4.647 ( -0.644 0.000 -3.306) 3.369 4.706 ( -3.248 0.000 -6.405) 7.181 4.920 ( 3.869 0.000 -2.242) 4.472 5.050 ( 6.724 0.000 3.077) 7.394 5.074 ( 5.272 0.000 1.897) 5.603 5.184 ( 6.797 0.000 7.097) 9.826 5.444 ( 3.290 0.000 4.180) 5.320 5.514 ( 3.535 0.000 2.664) 4.427 5.549 ( 2.007 0.000 -2.429) 3.151 5.655 ( -1.417 0.000 -2.136) 2.563 5.897 ( 6.675 0.000 4.770) 8.205 5.999 ( 6.265 0.000 -1.094) 6.360 6.087 ( 5.440 0.000 6.866) 8.760 6.193 ( 0.151 0.000 4.743) 4.746 6.287 ( 6.185 0.000 5.669) 8.390 6.427 ( 3.258 0.000 -0.984) 3.403 6.523 ( -5.463 0.000 2.553) 6.030 6.659 ( 4.751 0.000 -1.384) 4.948 6.797 ( 2.968 0.000 -6.827) 7.445 7.030 ( -7.115 0.000 -6.836) 9.867 7.323 ( -4.472 0.000 -3.175) 5.484 7.436 ( -1.187 0.000 2.905) 3.138 7.585 ( 4.431 0.000 -3.274) 5.509 7.735 ( 6.572 0.000 -5.539) 8.595 7.774 ( 3.199 0.000 -11.221) 11.668 7.957 ( 6.717 0.000 -3.750) 7.693 8.276 ( 2.918 0.000 6.676) 7.286 8.341 ( 5.217 0.000 4.712) 7.030 8.614 ( 3.002 0.000 9.211) 9.688 8.899 ( -1.654 0.000 -2.644) 3.119 9.101 ( 1.919 0.000 2.858) 3.443 9.299 ( 5.758 0.000 -9.788) 11.356 9.547 ( 1.835 0.000 0.256) 1.853 9.807 ( 1.075 0.000 2.933) 3.123 10.213 ( -0.063 0.000 6.481) 6.481 10.267 ( 0.407 0.000 5.473) 5.488 10.644 ( -0.703 0.000 -8.336) 8.366 10.956 ( -8.117 0.000 -3.823) 8.972 11.300 ( 4.889 0.000 1.351) 5.072 11.494 ( -4.707 0.000 1.022) 4.817 11.797 ( 11.724 0.000 -16.351) 20.120 11.985 ( 0.510 0.000 -2.850) 2.896 12.833 ( -7.111 0.000 13.409) 15.178 13.309 ( -34.162 0.000 16.854) 38.093 15.503 ( 6.112 0.000 0.339) 6.122 15.717 ( 12.488 0.000 -9.616) 15.761 16.037 ( -3.520 0.000 2.788) 4.490 16.224 ( 5.152 0.000 -1.166) 5.282 17.052 ( 5.220 0.000 4.945) 7.190 17.441 ( 2.216 0.000 -2.146) 3.085 17.629 ( -0.417 0.000 -2.942) 2.972 17.723 ( 5.718 0.000 -2.198) 6.126 17.941 ( 8.533 0.000 -2.080) 8.782 18.164 ( 2.056 0.000 -5.753) 6.109 19.452 ( 0.395 0.000 4.763) 4.779 19.824 ( -1.026 0.000 -3.282) 3.439 20.171 ( -4.350 0.000 3.065) 5.321 20.226 ( -9.121 0.000 5.702) 10.757 20.300 ( -0.723 0.000 0.737) 1.032 20.471 ( -4.864 0.000 -2.720) 5.573 ======================= Grid point 65 (23/60) ======================= q-point: ( 0.22 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.944 ( 15.637 0.000 12.136) 19.794 1.348 ( 22.679 0.000 16.001) 27.756 1.845 ( -0.623 0.000 -10.936) 10.953 2.107 ( 0.933 0.000 -2.786) 2.938 2.146 ( 22.622 0.000 7.637) 23.876 2.191 ( -0.453 0.000 2.231) 2.277 2.344 ( 11.314 0.000 3.296) 11.785 2.485 ( 4.091 0.000 -0.549) 4.127 2.539 ( 0.171 0.000 -1.898) 1.906 2.647 ( -1.580 0.000 2.195) 2.704 2.748 ( -0.868 0.000 3.292) 3.404 2.870 ( -1.748 0.000 0.024) 1.748 3.074 ( -0.480 0.000 2.041) 2.096 3.159 ( -1.119 0.000 -3.253) 3.440 3.301 ( -3.222 0.000 -3.315) 4.623 3.357 ( -3.019 0.000 -0.341) 3.038 3.513 ( 3.717 0.000 1.323) 3.945 3.616 ( 3.814 0.000 -1.474) 4.089 3.672 ( 4.156 0.000 -3.647) 5.529 3.732 ( 3.868 0.000 -5.397) 6.640 3.997 ( 2.845 0.000 -6.996) 7.552 4.153 ( 7.043 0.000 -3.883) 8.043 4.458 ( 3.655 0.000 2.757) 4.579 4.484 ( -2.782 0.000 -3.353) 4.357 4.645 ( 0.376 0.000 -3.909) 3.927 4.768 ( 12.145 0.000 3.620) 12.673 5.000 ( 4.290 0.000 -6.340) 7.655 5.154 ( 4.831 0.000 -1.621) 5.096 5.266 ( 12.101 0.000 3.571) 12.617 5.339 ( 7.500 0.000 3.846) 8.429 5.505 ( 4.437 0.000 9.368) 10.365 5.599 ( 5.445 0.000 -3.791) 6.635 5.626 ( -2.207 0.000 2.068) 3.024 5.703 ( 11.851 0.000 2.979) 12.220 5.999 ( -2.404 0.000 4.342) 4.963 6.096 ( 0.782 0.000 4.298) 4.368 6.144 ( 2.420 0.000 2.697) 3.623 6.176 ( 5.755 0.000 5.644) 8.060 6.412 ( -2.797 0.000 3.527) 4.502 6.488 ( 11.890 0.000 6.526) 13.563 6.576 ( 8.629 0.000 -3.406) 9.277 6.782 ( 8.546 0.000 -0.819) 8.586 6.889 ( 6.481 0.000 -0.927) 6.547 6.954 ( 0.457 0.000 -7.314) 7.328 7.277 ( 0.422 0.000 -0.277) 0.505 7.421 ( -1.365 0.000 -5.109) 5.288 7.616 ( 1.584 0.000 -4.983) 5.229 7.880 ( 6.972 0.000 -7.468) 10.217 7.928 ( 9.843 0.000 -6.743) 11.931 8.101 ( 8.111 0.000 -2.395) 8.457 8.331 ( 3.230 0.000 6.161) 6.957 8.450 ( 4.895 0.000 3.210) 5.854 8.680 ( 3.234 0.000 5.974) 6.794 8.853 ( -2.397 0.000 2.258) 3.292 9.085 ( -2.548 0.000 6.156) 6.662 9.378 ( 1.984 0.000 -9.698) 9.899 9.588 ( 2.297 0.000 -2.035) 3.069 9.837 ( 1.590 0.000 -0.626) 1.709 10.121 ( -5.417 0.000 10.667) 11.963 10.378 ( 6.559 0.000 0.811) 6.609 10.660 ( 3.074 0.000 -2.859) 4.198 10.840 ( -3.920 0.000 -4.355) 5.859 11.360 ( -4.111 0.000 0.861) 4.200 11.416 ( 2.890 0.000 4.112) 5.026 11.918 ( 0.308 0.000 -10.956) 10.960 12.008 ( 2.283 0.000 -6.360) 6.758 12.644 ( -11.808 0.000 7.355) 13.912 12.783 ( -21.891 0.000 11.487) 24.722 15.659 ( 9.684 0.000 -0.361) 9.690 15.897 ( 7.366 0.000 -6.567) 9.868 16.015 ( 0.921 0.000 3.967) 4.073 16.323 ( 4.511 0.000 -2.388) 5.104 17.174 ( 7.024 0.000 3.870) 8.019 17.488 ( 2.169 0.000 -3.933) 4.492 17.647 ( 4.288 0.000 2.302) 4.867 17.782 ( 0.905 0.000 2.934) 3.070 18.120 ( 6.259 0.000 -5.456) 8.304 18.151 ( -0.396 0.000 -4.000) 4.019 19.476 ( 2.156 0.000 3.404) 4.030 19.797 ( -2.373 0.000 -2.039) 3.129 20.026 ( -7.676 0.000 3.746) 8.542 20.136 ( -3.177 0.000 1.468) 3.500 20.286 ( -1.175 0.000 -0.224) 1.196 20.344 ( -7.426 0.000 -2.000) 7.691 ======================= Grid point 66 (24/60) ======================= q-point: ( 0.33 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.251 ( 15.924 0.000 5.014) 16.694 1.754 ( 15.628 0.000 5.815) 16.674 1.820 ( 1.796 0.000 -5.290) 5.587 2.115 ( -0.012 0.000 1.625) 1.625 2.174 ( -0.966 0.000 3.506) 3.637 2.337 ( 5.618 0.000 -2.810) 6.282 2.424 ( 0.451 0.000 1.314) 1.390 2.520 ( -1.586 0.000 -2.996) 3.390 2.586 ( -3.679 0.000 1.990) 4.183 2.710 ( 2.216 0.000 0.417) 2.255 2.792 ( 5.400 0.000 0.110) 5.401 2.814 ( -2.909 0.000 -2.922) 4.123 3.085 ( -4.973 0.000 -4.516) 6.718 3.131 ( 0.621 0.000 -0.198) 0.651 3.282 ( -1.406 0.000 -4.476) 4.692 3.358 ( 11.550 0.000 5.674) 12.869 3.531 ( 0.193 0.000 1.774) 1.784 3.610 ( 0.053 0.000 4.274) 4.275 3.799 ( 3.884 0.000 -6.246) 7.355 3.845 ( 6.043 0.000 -9.076) 10.904 4.027 ( 0.731 0.000 -3.730) 3.801 4.271 ( -3.769 0.000 -5.634) 6.778 4.373 ( 6.989 0.000 4.643) 8.391 4.560 ( 0.287 0.000 2.215) 2.234 4.703 ( 6.649 0.000 -6.120) 9.037 4.977 ( 5.960 0.000 -0.303) 5.968 5.087 ( 5.436 0.000 -6.521) 8.489 5.249 ( 6.871 0.000 -2.755) 7.403 5.421 ( 3.477 0.000 1.282) 3.706 5.490 ( 7.721 0.000 4.446) 8.909 5.550 ( -4.293 0.000 3.790) 5.726 5.628 ( 6.370 0.000 8.853) 10.907 5.739 ( 6.969 0.000 0.846) 7.020 5.830 ( 1.865 0.000 5.527) 5.833 5.914 ( -5.784 0.000 4.522) 7.342 6.000 ( -3.670 0.000 3.020) 4.753 6.278 ( -2.936 0.000 -0.101) 2.938 6.316 ( 16.211 0.000 1.787) 16.310 6.362 ( -5.605 0.000 1.370) 5.770 6.633 ( 6.592 0.000 5.680) 8.701 6.778 ( 9.971 0.000 -2.247) 10.221 6.887 ( 7.649 0.000 -0.706) 7.681 7.056 ( 8.835 0.000 1.239) 8.921 7.151 ( 13.276 0.000 -3.313) 13.683 7.322 ( 3.971 0.000 1.389) 4.206 7.397 ( 1.807 0.000 -11.287) 11.431 7.700 ( 6.281 0.000 1.823) 6.540 7.927 ( -3.336 0.000 -4.233) 5.390 8.063 ( 4.187 0.000 -8.034) 9.059 8.219 ( 1.563 0.000 4.800) 5.048 8.424 ( 7.884 0.000 1.174) 7.971 8.546 ( 6.053 0.000 -0.619) 6.084 8.705 ( -1.127 0.000 3.996) 4.152 8.835 ( 1.669 0.000 4.874) 5.152 9.018 ( -4.856 0.000 4.151) 6.388 9.331 ( -7.439 0.000 -7.326) 10.440 9.696 ( 10.093 0.000 -1.729) 10.240 9.847 ( 0.076 0.000 -3.347) 3.348 10.040 ( -3.328 0.000 8.654) 9.272 10.441 ( -2.129 0.000 -3.470) 4.071 10.746 ( 5.404 0.000 -0.169) 5.407 10.843 ( 4.523 0.000 -0.254) 4.530 11.260 ( -2.809 0.000 6.849) 7.403 11.528 ( 6.649 0.000 0.751) 6.692 11.831 ( -8.712 0.000 -1.426) 8.828 12.028 ( -1.751 0.000 -3.602) 4.005 12.436 ( -8.859 0.000 1.646) 9.010 12.452 ( -12.299 0.000 -0.558) 12.311 15.847 ( 9.192 0.000 -1.904) 9.387 16.002 ( 3.141 0.000 -4.948) 5.861 16.074 ( 5.631 0.000 6.083) 8.289 16.372 ( 0.271 0.000 -1.286) 1.314 17.315 ( 7.755 0.000 0.550) 7.774 17.514 ( 1.170 0.000 -5.268) 5.396 17.741 ( -1.055 0.000 5.014) 5.124 17.819 ( 7.409 0.000 2.981) 7.986 18.054 ( -3.864 0.000 -1.244) 4.059 18.277 ( 5.063 0.000 -2.900) 5.835 19.523 ( 2.138 0.000 -0.324) 2.163 19.723 ( -4.997 0.000 -1.661) 5.266 19.906 ( -4.185 0.000 2.992) 5.144 20.093 ( -1.711 0.000 0.844) 1.907 20.208 ( -5.641 0.000 -0.894) 5.712 20.259 ( -2.098 0.000 -0.498) 2.157 ======================= Grid point 67 (25/60) ======================= q-point: ( 0.44 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.528 ( 12.496 0.000 -0.829) 12.523 1.714 ( -6.941 0.000 -6.219) 9.319 2.071 ( 7.252 0.000 7.205) 10.223 2.110 ( -0.483 0.000 3.591) 3.624 2.204 ( 7.659 0.000 2.697) 8.120 2.375 ( -4.625 0.000 1.750) 4.945 2.448 ( 0.646 0.000 -1.505) 1.638 2.480 ( -2.306 0.000 -2.658) 3.519 2.530 ( 3.095 0.000 0.725) 3.179 2.650 ( -6.489 0.000 -0.632) 6.520 2.819 ( 1.991 0.000 -4.230) 4.675 2.838 ( 0.365 0.000 -1.366) 1.414 3.017 ( -1.120 0.000 -2.512) 2.750 3.059 ( -4.755 0.000 1.383) 4.952 3.340 ( 6.149 0.000 -10.165) 11.880 3.435 ( -2.380 0.000 -4.544) 5.129 3.552 ( 1.343 0.000 1.795) 2.242 3.630 ( -4.809 0.000 -0.029) 4.809 3.862 ( 6.589 0.000 -5.674) 8.695 3.939 ( -0.006 0.000 -1.424) 1.424 4.093 ( 8.379 0.000 1.247) 8.471 4.206 ( -2.521 0.000 -2.917) 3.855 4.491 ( 3.178 0.000 5.832) 6.641 4.544 ( -1.758 0.000 5.658) 5.925 4.842 ( 6.912 0.000 -8.436) 10.906 4.958 ( -4.993 0.000 -10.415) 11.550 5.240 ( 9.033 0.000 3.184) 9.578 5.372 ( -1.424 0.000 2.259) 2.670 5.457 ( 4.670 0.000 -0.505) 4.697 5.499 ( 0.194 0.000 -0.053) 0.201 5.554 ( 0.308 0.000 3.573) 3.587 5.639 ( -5.734 0.000 0.256) 5.740 5.818 ( 2.486 0.000 6.440) 6.903 5.846 ( -0.322 0.000 6.225) 6.233 5.943 ( 8.364 0.000 3.277) 8.983 6.003 ( 3.818 0.000 2.961) 4.832 6.150 ( -7.787 0.000 2.545) 8.192 6.176 ( -10.721 0.000 1.823) 10.875 6.648 ( 13.338 0.000 1.747) 13.452 6.727 ( 2.047 0.000 2.110) 2.940 6.855 ( 4.532 0.000 -6.331) 7.786 7.019 ( -6.305 0.000 -6.325) 8.930 7.226 ( 6.739 0.000 -2.143) 7.071 7.286 ( 11.073 0.000 5.600) 12.409 7.384 ( 3.792 0.000 -2.114) 4.341 7.594 ( 3.721 0.000 0.720) 3.790 7.725 ( 0.262 0.000 4.189) 4.197 7.859 ( -1.915 0.000 -3.399) 3.901 8.092 ( 0.492 0.000 -6.994) 7.011 8.158 ( -5.370 0.000 2.966) 6.134 8.585 ( 5.887 0.000 6.998) 9.144 8.650 ( -0.847 0.000 2.834) 2.957 8.710 ( 8.330 0.000 -2.324) 8.649 8.890 ( -8.496 0.000 0.241) 8.499 8.929 ( 8.230 0.000 0.486) 8.244 9.133 ( -11.955 0.000 -3.756) 12.531 9.854 ( 3.405 0.000 -1.182) 3.604 9.906 ( 1.347 0.000 -1.354) 1.910 10.032 ( 9.178 0.000 1.951) 9.383 10.287 ( -12.667 0.000 -4.825) 13.555 10.857 ( 5.329 0.000 3.544) 6.399 10.913 ( 0.392 0.000 4.041) 4.060 11.322 ( 9.540 0.000 3.869) 10.295 11.550 ( -10.660 0.000 -1.433) 10.756 11.731 ( 5.933 0.000 5.168) 7.868 11.907 ( -9.898 0.000 2.805) 10.288 12.319 ( -1.545 0.000 -6.317) 6.503 12.337 ( -2.862 0.000 -5.275) 6.002 15.983 ( 4.668 0.000 -2.856) 5.473 16.027 ( -0.301 0.000 -2.956) 2.971 16.206 ( 7.377 0.000 4.539) 8.662 16.328 ( -4.778 0.000 1.559) 5.026 17.455 ( 6.194 0.000 -1.631) 6.405 17.528 ( -0.944 0.000 -3.944) 4.055 17.719 ( 1.843 0.000 1.636) 2.464 17.822 ( -6.515 0.000 -1.677) 6.727 18.136 ( 10.255 0.000 4.639) 11.255 18.290 ( -4.170 0.000 1.777) 4.533 19.552 ( 1.937 0.000 -4.783) 5.160 19.623 ( -5.125 0.000 -4.485) 6.810 19.905 ( 3.973 0.000 5.326) 6.645 20.014 ( -6.291 0.000 4.054) 7.484 20.172 ( 1.371 0.000 -1.584) 2.095 20.214 ( -2.520 0.000 -1.025) 2.721 ======================= Grid point 72 (26/60) ======================= q-point: ( 0.00 0.14 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.704 ( 0.000 16.312 18.964) 25.014 0.739 ( 0.000 11.904 22.970) 25.871 1.502 ( 0.000 28.400 40.999) 49.875 1.921 ( 0.000 2.634 -10.186) 10.521 2.050 ( 0.000 1.366 -9.211) 9.312 2.140 ( 0.000 0.788 -3.641) 3.725 2.356 ( 0.000 6.565 -5.972) 8.875 2.469 ( 0.000 -2.676 -1.366) 3.005 2.501 ( 0.000 0.346 -2.421) 2.446 2.711 ( 0.000 -3.773 3.294) 5.008 2.770 ( 0.000 1.396 2.117) 2.535 2.945 ( 0.000 6.385 7.254) 9.664 3.026 ( 0.000 -6.028 -2.571) 6.553 3.058 ( 0.000 2.464 2.449) 3.474 3.219 ( 0.000 2.542 0.695) 2.635 3.330 ( 0.000 2.384 -2.428) 3.403 3.563 ( 0.000 -1.141 -1.796) 2.128 3.592 ( 0.000 8.709 -3.358) 9.334 3.697 ( 0.000 2.099 -1.682) 2.690 3.759 ( 0.000 -2.923 -0.150) 2.926 3.819 ( 0.000 1.656 -6.671) 6.874 4.055 ( 0.000 0.960 -4.133) 4.243 4.162 ( 0.000 3.755 12.665) 13.210 4.465 ( 0.000 5.872 -1.584) 6.082 4.588 ( 0.000 -5.125 4.088) 6.556 4.735 ( 0.000 -0.175 -11.888) 11.890 4.898 ( 0.000 0.945 2.260) 2.449 4.921 ( 0.000 -3.773 1.382) 4.018 5.071 ( 0.000 3.306 6.722) 7.491 5.226 ( 0.000 5.187 -5.828) 7.802 5.395 ( 0.000 -9.851 2.816) 10.246 5.486 ( 0.000 0.916 -4.512) 4.604 5.553 ( 0.000 6.719 -0.423) 6.732 5.715 ( 0.000 -2.879 3.375) 4.437 5.816 ( 0.000 -1.441 -3.145) 3.459 5.947 ( 0.000 4.255 -1.573) 4.537 6.001 ( 0.000 -1.181 4.914) 5.054 6.206 ( 0.000 -0.514 0.024) 0.514 6.261 ( 0.000 2.031 4.317) 4.771 6.334 ( 0.000 -0.934 -0.738) 1.191 6.536 ( 0.000 -3.106 -3.261) 4.503 6.555 ( 0.000 -7.327 4.567) 8.634 6.747 ( 0.000 -13.375 2.987) 13.704 6.897 ( 0.000 4.870 -5.165) 7.099 7.276 ( 0.000 -7.821 -6.496) 10.167 7.401 ( 0.000 -3.810 2.901) 4.788 7.517 ( 0.000 0.142 3.313) 3.316 7.706 ( 0.000 2.935 -4.570) 5.431 7.782 ( 0.000 3.755 -5.081) 6.318 7.970 ( 0.000 -4.333 -0.047) 4.334 8.287 ( 0.000 2.269 -0.110) 2.272 8.370 ( 0.000 7.205 -2.129) 7.513 8.720 ( 0.000 8.748 5.787) 10.489 8.920 ( 0.000 3.403 -4.578) 5.704 9.022 ( 0.000 -2.573 3.502) 4.345 9.174 ( 0.000 -2.691 -6.206) 6.764 9.523 ( 0.000 -2.507 1.894) 3.142 9.761 ( 0.000 -3.464 2.682) 4.381 10.166 ( 0.000 0.239 3.429) 3.437 10.306 ( 0.000 -1.310 -1.514) 2.002 10.505 ( 0.000 -13.499 -8.374) 15.885 10.756 ( 0.000 -20.493 -0.899) 20.512 11.488 ( 0.000 12.662 -1.788) 12.788 11.662 ( 0.000 9.042 -7.280) 11.609 11.770 ( 0.000 11.636 -5.042) 12.681 12.095 ( 0.000 7.385 -8.183) 11.023 12.888 ( 0.000 -0.986 16.192) 16.222 13.491 ( 0.000 -20.884 13.463) 24.847 15.421 ( 0.000 -0.766 -0.456) 0.891 15.456 ( 0.000 -1.089 -0.062) 1.091 16.108 ( 0.000 7.916 4.956) 9.340 16.620 ( 0.000 15.305 -17.043) 22.907 17.023 ( 0.000 2.415 4.051) 4.716 17.441 ( 0.000 -0.191 -8.628) 8.630 17.681 ( 0.000 9.833 -5.432) 11.233 17.717 ( 0.000 5.740 -2.431) 6.233 17.873 ( 0.000 1.077 2.890) 3.084 18.147 ( 0.000 3.696 -4.347) 5.706 19.352 ( 0.000 -13.550 10.514) 17.151 19.475 ( 0.000 -21.266 13.515) 25.197 20.152 ( 0.000 -4.097 4.185) 5.856 20.225 ( 0.000 1.221 2.854) 3.105 20.346 ( 0.000 -3.960 -0.529) 3.995 20.479 ( 0.000 -1.902 -1.115) 2.205 ======================= Grid point 73 (27/60) ======================= q-point: ( 0.11 0.14 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.847 ( 13.689 15.798 12.191) 24.199 1.076 ( 23.605 12.017 15.784) 30.834 1.685 ( 19.626 18.665 32.135) 42.026 1.917 ( 0.788 3.646 -9.381) 10.095 2.083 ( 1.976 1.940 -3.112) 4.166 2.206 ( 6.127 1.946 -5.968) 8.771 2.363 ( 0.602 8.016 -4.583) 9.254 2.479 ( 0.852 -3.561 -0.865) 3.763 2.507 ( 1.130 2.526 -2.699) 3.866 2.675 ( -2.398 -2.421 3.490) 4.878 2.789 ( 0.138 0.588 1.486) 1.605 2.931 ( -1.676 3.417 2.809) 4.731 3.033 ( -0.284 -2.729 2.153) 3.488 3.132 ( 8.075 0.130 0.829) 8.119 3.245 ( 2.138 2.418 0.787) 3.322 3.377 ( 2.121 0.175 -5.176) 5.596 3.505 ( -4.370 1.199 -1.406) 4.745 3.570 ( -2.034 2.000 -2.862) 4.041 3.702 ( -0.986 1.707 -2.527) 3.205 3.740 ( 1.804 2.947 -0.982) 3.592 3.891 ( 5.566 -0.307 -6.246) 8.372 4.075 ( 2.520 1.123 -3.206) 4.230 4.294 ( 10.917 2.919 10.078) 15.141 4.501 ( 2.584 -0.452 -1.695) 3.124 4.629 ( 4.830 1.660 3.305) 6.083 4.711 ( -2.604 0.257 -9.489) 9.843 4.946 ( 5.083 1.191 -2.522) 5.798 5.016 ( 8.780 -2.341 2.670) 9.471 5.123 ( 4.926 2.157 4.419) 6.960 5.252 ( 1.947 4.901 -0.813) 5.336 5.419 ( 2.214 -7.457 1.112) 7.857 5.472 ( 0.219 0.450 0.424) 0.656 5.554 ( 2.506 2.579 -2.325) 4.282 5.701 ( -0.594 1.883 0.747) 2.111 5.868 ( 8.481 -2.682 3.187) 9.449 5.999 ( 1.286 -0.415 -1.554) 2.059 6.059 ( 3.859 -1.913 6.362) 7.683 6.220 ( 2.805 1.630 2.465) 4.074 6.277 ( 2.078 -1.206 4.926) 5.481 6.400 ( 2.880 -2.212 4.025) 5.421 6.531 ( -0.370 0.895 -1.122) 1.482 6.620 ( 7.541 -4.916 -3.376) 9.614 6.773 ( 3.226 -11.587 1.665) 12.142 6.899 ( 1.311 6.891 -6.879) 9.825 7.324 ( 1.843 -4.828 -7.442) 9.061 7.392 ( -1.586 -2.643 0.519) 3.126 7.555 ( 4.812 -0.654 1.109) 4.981 7.718 ( 2.036 -0.135 -3.919) 4.419 7.811 ( 4.577 3.117 -6.254) 8.353 8.029 ( 4.586 -1.266 -0.578) 4.793 8.273 ( -1.671 3.065 3.026) 4.620 8.369 ( 4.408 2.650 0.142) 5.145 8.719 ( 0.385 7.553 5.871) 9.574 8.910 ( -3.020 0.819 -1.907) 3.665 9.070 ( 3.634 -1.590 3.962) 5.606 9.261 ( 6.430 -2.118 -7.416) 10.042 9.530 ( 1.230 -2.875 -0.640) 3.192 9.759 ( -0.140 -4.281 2.215) 4.822 10.208 ( 0.557 -0.471 3.380) 3.458 10.262 ( -0.732 -1.658 2.310) 2.937 10.511 ( 1.367 -11.043 -5.329) 12.338 10.735 ( -1.460 -16.141 -2.242) 16.361 11.474 ( -1.352 10.428 -1.144) 10.577 11.606 ( -4.239 10.217 -1.661) 11.186 11.847 ( 5.252 4.807 -10.726) 12.874 12.081 ( -1.321 5.829 -7.840) 9.859 12.814 ( -7.629 -1.422 13.457) 15.534 13.197 ( -23.357 -8.593 15.689) 29.420 15.485 ( 6.664 -1.162 0.145) 6.766 15.579 ( 9.525 -4.734 -2.012) 10.825 16.165 ( 4.668 8.523 2.209) 9.966 16.518 ( -6.421 16.820 -9.724) 20.462 17.081 ( 5.525 2.711 4.511) 7.630 17.455 ( 0.278 0.796 -4.218) 4.302 17.623 ( -0.627 0.364 -0.012) 0.725 17.750 ( 0.808 1.865 -1.905) 2.786 17.954 ( 5.144 1.410 -1.071) 5.440 18.227 ( 5.676 6.130 -8.471) 11.897 19.359 ( 0.982 -10.707 7.484) 13.100 19.560 ( 6.872 -18.855 6.629) 21.135 20.112 ( -4.166 -4.020 4.337) 7.233 20.183 ( -4.641 0.785 2.457) 5.309 20.306 ( -2.127 -1.805 -0.723) 2.882 20.446 ( -3.930 -1.880 -1.898) 4.752 ======================= Grid point 74 (28/60) ======================= q-point: ( 0.22 0.14 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.142 ( 15.976 16.473 6.170) 23.763 1.472 ( 19.041 11.361 14.554) 26.523 1.894 ( 1.335 5.060 -7.866) 9.448 2.084 ( 3.117 0.608 1.243) 3.410 2.203 ( 15.209 5.254 5.356) 16.959 2.305 ( 2.132 6.322 -3.063) 7.341 2.426 ( 7.272 7.014 1.827) 10.267 2.511 ( 4.213 -0.900 0.014) 4.308 2.544 ( 4.378 4.256 -2.129) 6.466 2.647 ( -0.279 -0.459 0.725) 0.903 2.763 ( -2.336 0.973 2.490) 3.550 2.885 ( -2.764 0.320 -1.132) 3.004 3.024 ( 0.349 0.028 4.504) 4.518 3.228 ( -2.107 -1.783 -1.225) 3.020 3.290 ( 3.065 4.801 -0.886) 5.764 3.383 ( -2.929 2.410 -1.877) 4.232 3.458 ( 1.645 -2.605 1.193) 3.304 3.556 ( 2.428 -3.871 -3.547) 5.784 3.658 ( -1.841 0.234 -0.325) 1.884 3.848 ( 7.122 5.442 -6.721) 11.203 3.981 ( 3.417 -0.465 -5.479) 6.474 4.173 ( 8.169 2.557 -0.817) 8.599 4.418 ( -3.018 -2.946 -0.787) 4.290 4.565 ( 5.787 5.502 0.647) 8.011 4.660 ( 0.329 1.070 -4.733) 4.864 4.798 ( 11.164 2.936 3.113) 11.956 5.039 ( 4.005 1.228 -6.086) 7.388 5.172 ( 2.571 1.352 -2.959) 4.146 5.247 ( 11.792 -0.576 4.377) 12.591 5.328 ( 5.100 -0.818 3.124) 6.036 5.475 ( 5.875 -2.601 6.225) 8.946 5.562 ( 2.382 -3.819 -1.882) 4.879 5.630 ( 6.858 1.242 0.546) 6.991 5.732 ( 5.366 2.317 4.623) 7.452 5.946 ( -3.753 -4.698 1.995) 6.335 6.053 ( -1.631 -4.681 2.267) 5.450 6.142 ( 11.944 2.296 4.087) 12.830 6.198 ( -0.100 -1.536 2.859) 3.247 6.363 ( 0.707 -1.875 2.120) 2.917 6.475 ( 7.069 -1.391 7.295) 10.253 6.630 ( 7.203 1.714 -0.468) 7.419 6.799 ( 9.599 1.482 -0.499) 9.726 6.860 ( 9.638 -3.144 -2.932) 10.554 6.949 ( 4.440 4.214 -2.606) 6.653 7.331 ( 1.553 0.290 -7.569) 7.732 7.383 ( 0.065 -0.214 -2.882) 2.890 7.626 ( 1.925 1.302 -0.543) 2.387 7.804 ( 6.919 -5.326 -3.221) 9.307 7.965 ( 9.119 1.408 -6.959) 11.557 8.122 ( 5.091 0.107 -0.634) 5.131 8.311 ( 5.358 -0.049 2.912) 6.098 8.469 ( 4.641 1.256 1.086) 4.929 8.721 ( -0.443 3.386 3.769) 5.087 8.861 ( -1.621 0.905 2.353) 2.997 9.080 ( -2.053 0.312 5.806) 6.166 9.356 ( 2.578 -0.934 -7.304) 7.801 9.570 ( 2.803 -2.611 -2.652) 4.659 9.758 ( 0.058 -6.571 -0.069) 6.572 10.113 ( -6.038 -1.911 7.250) 9.627 10.349 ( 4.879 -3.454 -0.266) 5.984 10.578 ( 5.631 -7.038 -1.603) 9.155 10.730 ( 1.957 -7.994 -1.447) 8.356 11.424 ( -4.281 6.161 0.791) 7.544 11.544 ( -1.034 9.875 1.144) 9.995 11.912 ( 0.650 0.262 -9.069) 9.096 12.053 ( -1.367 2.590 -7.227) 7.797 12.611 ( -12.900 -2.568 8.756) 15.801 12.772 ( -19.934 -1.565 9.381) 22.087 15.657 ( 10.788 0.056 -0.177) 10.790 15.765 ( 9.850 -4.173 -0.866) 10.732 16.233 ( 1.811 11.239 -0.477) 11.394 16.452 ( -0.823 11.425 -4.025) 12.141 17.204 ( 6.731 3.034 3.286) 8.081 17.473 ( 1.540 -1.236 -3.484) 4.005 17.637 ( 2.826 -1.229 2.717) 4.108 17.789 ( 2.556 0.626 1.548) 3.053 17.994 ( -1.070 -4.895 -0.141) 5.013 18.329 ( 5.291 10.034 -8.485) 14.166 19.396 ( 2.962 -8.478 5.316) 10.436 19.671 ( 3.658 -10.828 0.105) 11.429 20.000 ( -6.905 -2.629 2.719) 7.873 20.079 ( -5.247 -3.151 1.176) 6.232 20.278 ( -1.436 -0.788 -0.490) 1.710 20.338 ( -6.754 -0.747 -1.663) 6.995 ======================= Grid point 75 (29/60) ======================= q-point: ( 0.33 0.14 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.434 ( 14.338 15.872 2.955) 21.592 1.813 ( 13.960 6.299 8.030) 17.293 1.918 ( 3.043 8.635 -5.223) 10.540 2.114 ( 1.816 2.088 2.979) 4.066 2.305 ( -1.176 8.438 -1.174) 8.600 2.361 ( 5.049 2.228 -2.885) 6.227 2.467 ( 0.063 3.089 0.040) 3.089 2.517 ( -1.542 1.233 -0.825) 2.140 2.624 ( -3.629 2.911 1.392) 4.856 2.724 ( 0.542 -1.150 -0.608) 1.409 2.761 ( 3.833 1.086 -1.501) 4.257 2.855 ( 0.099 2.459 -0.917) 2.626 3.063 ( 1.201 -1.290 -1.667) 2.426 3.136 ( -6.012 0.338 -0.699) 6.062 3.318 ( -1.722 3.167 -4.370) 5.665 3.393 ( 4.745 1.645 0.799) 5.085 3.480 ( 4.738 -1.528 4.283) 6.567 3.617 ( 3.432 -1.268 2.319) 4.332 3.717 ( 7.637 -1.707 -0.184) 7.828 3.967 ( 4.736 4.936 -9.064) 11.356 4.014 ( -0.127 0.476 -4.612) 4.639 4.251 ( -6.092 -2.111 -4.223) 7.707 4.389 ( 7.448 1.695 3.886) 8.570 4.583 ( -1.683 1.376 -0.801) 2.317 4.770 ( 7.941 5.836 -3.778) 10.554 5.011 ( 9.057 1.612 1.835) 9.380 5.084 ( 0.944 -0.302 -8.555) 8.612 5.231 ( 5.021 -1.266 -1.960) 5.537 5.400 ( 3.566 -1.414 0.635) 3.888 5.469 ( 8.693 -1.733 5.990) 10.698 5.529 ( -1.990 -1.350 0.526) 2.462 5.617 ( 4.820 -1.750 6.200) 8.046 5.762 ( 4.257 -1.852 2.285) 5.174 5.805 ( 1.058 1.956 4.205) 4.757 5.883 ( -1.592 -2.365 3.524) 4.533 6.007 ( -1.394 0.034 1.370) 1.955 6.208 ( -2.244 -5.303 0.949) 5.836 6.323 ( 6.076 -1.181 2.532) 6.687 6.387 ( 3.117 2.603 0.449) 4.086 6.594 ( 6.624 -2.337 6.382) 9.491 6.730 ( 3.573 -3.638 2.540) 5.696 6.954 ( 11.115 5.501 -2.924) 12.742 7.072 ( 8.822 0.730 2.269) 9.138 7.200 ( 15.983 4.524 -3.230) 16.922 7.367 ( 2.881 -1.204 -8.065) 8.649 7.415 ( 4.348 6.873 -3.232) 8.751 7.684 ( 4.131 -1.217 4.072) 5.927 7.895 ( 0.951 -2.921 -2.767) 4.135 8.092 ( 3.864 1.881 -7.935) 9.024 8.195 ( 1.246 -2.295 4.367) 5.088 8.456 ( 8.538 2.212 -1.303) 8.916 8.541 ( 4.163 -0.460 -1.069) 4.323 8.701 ( -1.270 0.467 3.989) 4.212 8.853 ( 1.002 1.442 3.723) 4.116 9.017 ( -4.449 0.321 4.658) 6.449 9.318 ( -6.846 -0.424 -6.218) 9.258 9.673 ( 8.700 -2.387 -1.983) 9.237 9.765 ( 1.184 -7.041 -2.273) 7.493 10.012 ( -4.720 -3.178 6.865) 8.916 10.365 ( -4.079 -7.612 -3.736) 9.410 10.724 ( 9.395 -2.239 0.740) 9.687 10.829 ( 7.544 0.201 1.606) 7.716 11.346 ( -2.307 6.949 4.510) 8.599 11.568 ( 2.902 3.906 0.369) 4.880 11.842 ( -7.844 0.942 -1.835) 8.110 12.022 ( -3.140 -0.686 -3.942) 5.087 12.376 ( -9.984 -4.139 2.262) 11.043 12.457 ( -12.494 -1.049 0.078) 12.538 15.869 ( 10.651 2.278 -1.334) 10.974 15.952 ( 9.582 -0.450 -0.142) 9.594 16.243 ( -0.196 11.022 0.755) 11.050 16.440 ( -1.608 6.194 -1.197) 6.510 17.332 ( 6.862 1.711 -0.082) 7.072 17.495 ( 1.051 -1.768 -4.719) 5.148 17.693 ( -0.145 -3.489 3.924) 5.252 17.846 ( 1.203 -1.191 -0.132) 1.698 17.972 ( 3.743 -1.894 4.457) 6.121 18.413 ( 2.532 9.912 -5.074) 11.419 19.461 ( 3.137 -6.706 1.618) 7.578 19.675 ( -2.731 -4.479 -0.991) 5.339 19.882 ( -4.684 -2.093 1.536) 5.355 20.019 ( -0.790 -6.241 0.576) 6.317 20.202 ( -6.346 -0.276 -0.279) 6.359 20.247 ( -2.446 -1.110 -0.701) 2.776 ======================= Grid point 76 (30/60) ======================= q-point: ( 0.44 0.14 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.676 ( 10.747 13.445 -0.474) 17.219 1.832 ( -5.285 10.733 -3.871) 12.575 2.108 ( 7.922 4.150 4.837) 10.167 2.169 ( 2.151 4.986 3.544) 6.484 2.295 ( 3.144 7.331 0.553) 7.996 2.410 ( -2.898 2.870 1.397) 4.311 2.465 ( -0.055 1.315 -1.100) 1.716 2.487 ( -1.647 1.637 -1.323) 2.672 2.566 ( 1.758 3.214 0.484) 3.696 2.664 ( -5.599 0.891 -0.360) 5.681 2.824 ( 3.038 1.052 -2.046) 3.811 2.860 ( -0.195 2.132 -2.415) 3.227 3.029 ( -2.712 0.423 -2.844) 3.952 3.038 ( -3.149 -1.276 -0.373) 3.418 3.329 ( 2.265 -0.674 -7.706) 8.060 3.382 ( -2.744 -3.240 -3.963) 5.808 3.576 ( 5.974 2.088 1.455) 6.493 3.698 ( -3.079 3.825 2.378) 5.455 3.868 ( 6.065 0.864 -4.424) 7.557 3.943 ( -3.447 1.498 -2.872) 4.730 4.101 ( 8.747 0.447 -0.511) 8.774 4.199 ( -0.724 -0.377 -4.144) 4.224 4.469 ( 2.548 -2.092 4.340) 5.450 4.549 ( -3.358 0.405 5.607) 6.548 4.907 ( 6.150 5.051 -7.297) 10.797 5.007 ( -4.405 3.314 -9.623) 11.090 5.219 ( 8.938 -2.425 2.486) 9.589 5.323 ( 0.891 -3.766 0.999) 3.996 5.443 ( 1.583 -0.532 -0.122) 1.674 5.487 ( -1.046 -0.715 -0.256) 1.292 5.567 ( 1.199 0.310 4.368) 4.540 5.616 ( -2.939 -2.243 1.016) 3.834 5.792 ( 1.340 -2.149 3.834) 4.595 5.816 ( -0.343 -1.427 2.661) 3.039 5.951 ( 6.810 -0.185 3.239) 7.544 6.034 ( 3.628 2.286 3.477) 5.521 6.104 ( -5.186 -2.513 2.598) 6.321 6.206 ( -9.818 1.532 1.930) 10.123 6.623 ( 9.229 -2.028 3.987) 10.256 6.693 ( 1.021 -1.754 4.452) 4.893 6.801 ( 9.608 -3.925 -3.880) 11.080 7.032 ( -8.833 -0.370 -7.852) 11.824 7.278 ( 11.481 2.776 2.878) 12.158 7.350 ( 9.199 6.061 1.706) 11.148 7.447 ( 0.121 6.037 -2.614) 6.580 7.581 ( 1.502 -0.901 0.707) 1.888 7.738 ( 6.551 1.545 3.399) 7.540 7.880 ( -2.012 1.978 -2.998) 4.117 8.114 ( -0.442 1.960 -7.200) 7.475 8.155 ( -3.979 -0.734 2.683) 4.855 8.568 ( 3.875 -1.582 4.746) 6.328 8.619 ( -0.455 -2.707 1.332) 3.051 8.743 ( 8.033 2.963 -0.888) 8.608 8.892 ( -4.383 0.337 -0.284) 4.405 8.939 ( 4.633 1.144 2.175) 5.245 9.130 ( -11.612 0.369 -3.617) 12.168 9.797 ( 3.848 -5.455 -0.763) 6.719 9.858 ( 1.593 -4.647 -1.223) 5.063 9.973 ( 7.080 -5.056 1.759) 8.876 10.204 ( -11.960 -7.416 -4.014) 14.634 10.893 ( 7.010 2.692 3.669) 8.357 10.946 ( 2.409 3.336 3.758) 5.572 11.384 ( 6.993 5.519 2.783) 9.333 11.568 ( -8.358 1.656 -2.040) 8.761 11.730 ( 3.193 0.156 5.119) 6.035 11.887 ( -10.043 -1.947 2.480) 10.526 12.275 ( -0.937 -4.120 -5.371) 6.834 12.306 ( -4.080 -3.082 -5.052) 7.188 16.036 ( 6.486 5.185 -2.338) 8.626 16.090 ( 2.448 5.502 -3.156) 6.799 16.261 ( 3.804 5.165 4.267) 7.705 16.371 ( -5.577 3.889 1.765) 7.024 17.456 ( 5.432 0.182 -1.882) 5.752 17.515 ( -0.104 -1.304 -4.057) 4.263 17.669 ( 0.847 -4.311 1.663) 4.697 17.761 ( -6.752 -5.620 -1.623) 8.933 18.180 ( 13.162 4.904 5.399) 15.048 18.381 ( -6.561 7.765 0.936) 10.208 19.510 ( 3.025 -4.851 -3.935) 6.940 19.596 ( -5.248 -3.145 -4.135) 7.385 19.870 ( 3.866 -2.793 4.639) 6.654 19.976 ( -5.328 -3.488 3.675) 7.352 20.142 ( 1.130 -2.197 -1.256) 2.771 20.193 ( -3.145 -1.778 -1.120) 3.782 ======================= Grid point 81 (31/60) ======================= q-point: ( 0.00 0.29 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.044 ( 0.000 17.421 15.766) 23.496 1.140 ( 0.000 23.768 4.869) 24.261 2.006 ( 0.000 7.511 -4.314) 8.662 2.055 ( 0.000 10.262 8.944) 13.613 2.157 ( 0.000 13.653 2.684) 13.915 2.174 ( 0.000 0.302 -0.424) 0.520 2.225 ( 0.000 -7.983 0.528) 8.000 2.458 ( 0.000 -0.894 -3.584) 3.693 2.534 ( 0.000 -2.833 -7.705) 8.210 2.648 ( 0.000 1.424 3.048) 3.364 2.771 ( 0.000 -2.108 -0.943) 2.309 2.967 ( 0.000 5.206 0.344) 5.217 3.073 ( 0.000 5.844 3.558) 6.842 3.186 ( 0.000 4.902 3.244) 5.878 3.359 ( 0.000 9.805 0.876) 9.844 3.406 ( 0.000 4.603 -3.756) 5.941 3.534 ( 0.000 -2.660 1.073) 2.868 3.591 ( 0.000 -2.396 -4.533) 5.128 3.710 ( 0.000 -4.021 -1.420) 4.264 3.782 ( 0.000 2.973 -4.300) 5.227 3.910 ( 0.000 6.260 -1.348) 6.404 4.137 ( 0.000 5.249 -0.671) 5.292 4.258 ( 0.000 2.645 11.305) 11.610 4.337 ( 0.000 -5.023 9.673) 10.900 4.644 ( 0.000 -2.251 -3.935) 4.534 4.767 ( 0.000 8.268 -3.845) 9.118 4.806 ( 0.000 -6.192 3.552) 7.138 4.977 ( 0.000 4.538 -0.846) 4.616 5.142 ( 0.000 3.085 5.373) 6.195 5.199 ( 0.000 -7.347 1.064) 7.423 5.307 ( 0.000 2.616 -8.046) 8.461 5.437 ( 0.000 -6.116 -5.179) 8.014 5.572 ( 0.000 -4.251 4.938) 6.515 5.687 ( 0.000 -4.951 0.943) 5.040 5.737 ( 0.000 0.092 -4.227) 4.228 5.983 ( 0.000 0.094 3.061) 3.063 6.028 ( 0.000 2.820 -1.135) 3.040 6.186 ( 0.000 -2.711 5.625) 6.244 6.258 ( 0.000 -5.929 2.926) 6.612 6.309 ( 0.000 1.640 5.446) 5.688 6.384 ( 0.000 -3.903 2.540) 4.657 6.490 ( 0.000 -2.509 -5.323) 5.885 6.619 ( 0.000 0.042 -5.912) 5.913 7.072 ( 0.000 0.004 -12.127) 12.127 7.129 ( 0.000 2.602 -5.379) 5.976 7.358 ( 0.000 -0.419 0.571) 0.708 7.483 ( 0.000 -3.382 5.035) 6.065 7.765 ( 0.000 -7.332 -0.803) 7.376 7.772 ( 0.000 3.077 -1.361) 3.365 7.887 ( 0.000 -0.042 1.002) 1.003 8.365 ( 0.000 4.987 -1.970) 5.362 8.482 ( 0.000 3.655 1.267) 3.868 8.870 ( 0.000 5.725 4.358) 7.195 8.975 ( 0.000 0.393 -2.667) 2.696 8.984 ( 0.000 0.840 1.954) 2.127 9.145 ( 0.000 -0.634 -2.045) 2.141 9.444 ( 0.000 -3.475 0.107) 3.476 9.684 ( 0.000 -3.470 -0.547) 3.512 10.167 ( 0.000 -5.282 -1.404) 5.465 10.202 ( 0.000 -9.099 -2.737) 9.502 10.277 ( 0.000 -2.273 -1.791) 2.894 10.346 ( 0.000 -18.715 -0.553) 18.723 11.719 ( 0.000 10.905 -1.622) 11.025 11.852 ( 0.000 8.281 -7.059) 10.881 11.953 ( 0.000 6.212 -6.968) 9.335 12.175 ( 0.000 0.093 -7.537) 7.537 12.877 ( 0.000 0.173 14.334) 14.335 13.172 ( 0.000 -11.485 14.201) 18.264 15.420 ( 0.000 0.495 -0.701) 0.858 15.448 ( 0.000 0.142 -0.500) 0.520 16.311 ( 0.000 10.779 4.262) 11.591 16.738 ( 0.000 -0.370 -7.204) 7.213 17.094 ( 0.000 4.424 2.974) 5.331 17.390 ( 0.000 -3.805 -4.276) 5.724 17.789 ( 0.000 1.888 -1.279) 2.280 17.814 ( 0.000 1.439 -2.282) 2.698 17.982 ( 0.000 9.105 -0.795) 9.140 18.283 ( 0.000 8.113 -7.305) 10.917 18.984 ( 0.000 -13.688 16.842) 21.703 19.235 ( 0.000 -10.211 1.456) 10.315 20.110 ( 0.000 -0.825 1.927) 2.096 20.238 ( 0.000 -2.893 2.092) 3.570 20.278 ( 0.000 0.299 -1.338) 1.371 20.430 ( 0.000 -2.780 -1.169) 3.016 ======================= Grid point 82 (32/60) ======================= q-point: ( 0.11 0.29 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.247 ( 11.266 21.659 3.492) 24.662 1.336 ( 23.217 13.798 11.490) 29.350 1.979 ( 0.032 5.872 -1.644) 6.098 2.094 ( 2.297 6.389 0.278) 6.795 2.186 ( 4.050 5.558 6.452) 9.429 2.276 ( 8.650 6.505 -0.827) 10.855 2.329 ( 8.832 -1.878 1.816) 9.210 2.476 ( 2.010 1.336 -2.551) 3.512 2.547 ( 2.051 -3.140 -6.028) 7.100 2.644 ( -0.311 2.927 1.479) 3.294 2.770 ( -0.249 -2.519 -0.733) 2.635 2.942 ( -2.132 3.976 -0.489) 4.538 3.109 ( 1.541 6.500 3.713) 7.643 3.195 ( 1.641 3.858 1.819) 4.570 3.362 ( -0.118 7.161 2.929) 7.738 3.412 ( 0.679 2.992 -2.740) 4.113 3.509 ( -2.544 -2.030 -1.031) 3.414 3.562 ( -2.184 -0.318 -2.284) 3.176 3.700 ( -0.912 0.070 -3.410) 3.531 3.814 ( 2.924 1.329 -3.918) 5.066 3.939 ( 2.797 3.839 -2.547) 5.390 4.142 ( 2.102 4.133 2.222) 5.142 4.319 ( 2.861 -5.091 5.558) 8.062 4.434 ( 10.923 3.612 9.785) 15.103 4.647 ( 1.292 -3.137 -2.623) 4.288 4.800 ( 2.542 6.947 -4.659) 8.742 4.905 ( 7.587 -3.292 2.050) 8.521 5.031 ( 5.840 1.593 -1.858) 6.332 5.162 ( 2.319 0.972 1.865) 3.130 5.252 ( 5.985 -2.276 4.386) 7.761 5.342 ( 1.211 -0.889 -4.339) 4.591 5.428 ( 1.351 -2.918 -4.043) 5.166 5.593 ( 2.432 -1.566 -0.751) 2.988 5.694 ( 0.838 -0.825 2.630) 2.881 5.806 ( 6.740 -4.365 -0.631) 8.054 5.973 ( -0.228 -1.287 1.043) 1.672 6.037 ( -1.498 -0.937 4.735) 5.054 6.204 ( -0.203 -3.213 0.960) 3.360 6.233 ( 2.176 -2.615 5.603) 6.555 6.376 ( 5.028 0.294 1.325) 5.208 6.482 ( 9.956 -2.679 0.245) 10.313 6.575 ( 7.407 0.926 -0.807) 7.508 6.662 ( 6.097 -0.563 -3.730) 7.170 7.075 ( 1.564 4.940 -8.749) 10.169 7.178 ( 1.218 -4.143 -6.920) 8.157 7.375 ( 3.105 0.993 -1.253) 3.493 7.524 ( 4.292 -3.365 2.620) 6.051 7.755 ( -0.382 3.148 1.786) 3.639 7.793 ( 3.447 -5.394 -1.563) 6.590 7.971 ( 6.493 -1.789 0.498) 6.753 8.355 ( -1.832 4.028 -0.986) 4.533 8.436 ( -0.808 2.857 -0.967) 3.123 8.854 ( -1.855 4.794 3.248) 6.081 8.926 ( -2.900 1.238 -0.223) 3.161 9.080 ( 6.365 2.745 2.373) 7.327 9.240 ( 7.644 -0.337 -2.912) 8.187 9.439 ( 0.107 -4.294 -0.525) 4.327 9.668 ( -1.526 -4.005 -0.938) 4.388 10.111 ( -5.751 -11.166 -1.173) 12.615 10.202 ( 0.651 -4.611 -0.407) 4.675 10.314 ( 5.036 -6.777 0.140) 8.444 10.428 ( 6.774 -10.511 -1.398) 12.582 11.683 ( -3.688 10.475 -1.218) 11.172 11.813 ( -3.580 8.730 -4.798) 10.586 11.947 ( -0.642 4.051 -8.146) 9.120 12.140 ( -3.264 -0.402 -6.859) 7.607 12.793 ( -8.547 -0.277 12.673) 15.288 13.025 ( -13.876 -7.835 12.660) 20.352 15.483 ( 7.088 1.040 0.044) 7.164 15.538 ( 8.294 -0.496 -0.760) 8.343 16.359 ( 4.215 9.939 2.508) 11.083 16.712 ( -2.280 2.889 -7.004) 7.912 17.155 ( 6.134 4.427 3.419) 8.301 17.438 ( 3.384 -2.742 -4.086) 5.973 17.667 ( -8.217 3.379 1.732) 9.052 17.775 ( -1.568 0.367 -1.091) 1.945 18.014 ( 0.022 5.149 1.338) 5.320 18.376 ( 7.312 6.504 -10.347) 14.242 19.043 ( 5.127 -14.042 13.511) 20.150 19.301 ( 6.907 -9.828 0.867) 12.043 20.063 ( -4.730 -1.362 1.955) 5.296 20.166 ( -6.705 -3.063 1.034) 7.443 20.281 ( -0.068 0.537 -0.516) 0.747 20.403 ( -2.885 -2.252 -1.418) 3.925 ======================= Grid point 83 (33/60) ======================= q-point: ( 0.22 0.29 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.508 ( 15.089 18.466 1.774) 23.912 1.740 ( 17.047 13.061 9.356) 23.425 2.021 ( 4.178 5.811 -1.933) 7.414 2.134 ( 2.025 3.679 0.146) 4.202 2.309 ( 6.090 1.869 -0.281) 6.377 2.384 ( 4.362 0.392 -4.754) 6.464 2.482 ( 2.436 0.809 -3.077) 4.007 2.559 ( 5.155 2.724 3.112) 6.609 2.640 ( 3.089 6.620 4.400) 8.528 2.668 ( 8.735 2.708 -5.633) 10.740 2.761 ( 0.067 -1.248 1.280) 1.789 2.900 ( -1.579 3.457 -1.189) 3.982 3.095 ( -2.117 4.673 2.300) 5.622 3.222 ( -0.517 2.817 0.990) 3.030 3.381 ( 2.821 3.512 3.049) 5.440 3.418 ( -0.973 1.445 -0.571) 1.834 3.461 ( -1.060 -0.111 -1.642) 1.958 3.516 ( -1.791 0.695 1.119) 2.223 3.689 ( 0.082 3.594 -1.997) 4.112 3.883 ( 4.068 -1.053 -5.855) 7.207 3.994 ( 2.980 0.359 -3.270) 4.439 4.249 ( 7.520 3.223 2.719) 8.622 4.346 ( 0.486 -2.434 1.088) 2.710 4.626 ( 2.581 -0.470 -3.335) 4.243 4.723 ( 9.166 5.411 3.578) 11.229 4.852 ( 4.611 1.525 -1.648) 5.129 5.013 ( 3.786 -2.936 -3.060) 5.685 5.165 ( 2.854 -2.034 -4.699) 5.861 5.237 ( 7.463 -2.217 3.915) 8.714 5.341 ( 4.390 1.881 0.370) 4.791 5.442 ( 9.713 0.194 4.211) 10.589 5.500 ( 3.487 -0.502 -2.161) 4.133 5.648 ( 2.891 -0.433 1.959) 3.519 5.754 ( 5.924 -0.223 1.517) 6.120 5.843 ( -2.736 -4.979 1.704) 5.931 5.977 ( 0.615 -2.344 -0.075) 2.424 6.081 ( 4.658 -6.953 5.254) 9.882 6.188 ( 2.209 -0.809 0.421) 2.390 6.344 ( 5.561 0.267 -0.533) 5.592 6.448 ( 4.094 -0.655 5.363) 6.779 6.650 ( 6.707 2.806 4.981) 8.813 6.810 ( 12.971 -0.604 -2.875) 13.299 6.884 ( 18.979 4.172 -3.100) 19.678 7.075 ( -2.475 5.561 0.106) 6.088 7.210 ( 5.022 -6.357 -8.569) 11.792 7.478 ( 6.719 4.551 -3.722) 8.928 7.628 ( 4.550 -3.749 1.015) 5.982 7.743 ( 0.954 2.933 4.447) 5.412 7.924 ( 8.751 -5.722 -1.840) 10.617 8.090 ( 5.460 -2.468 -1.135) 6.098 8.351 ( 3.133 2.782 -2.001) 4.643 8.477 ( 3.593 -0.794 -2.449) 4.420 8.795 ( -3.643 3.613 1.998) 5.507 8.891 ( -1.200 1.992 1.515) 2.776 9.135 ( -0.966 5.514 3.306) 6.501 9.367 ( 3.592 1.527 -3.732) 5.400 9.482 ( 5.038 -4.378 -1.194) 6.780 9.633 ( -1.844 -5.083 -1.635) 5.649 9.997 ( -5.775 -9.253 3.769) 11.540 10.196 ( -1.287 -11.994 -2.225) 12.266 10.465 ( 10.474 -2.214 1.666) 10.834 10.597 ( 11.014 -4.826 0.250) 12.027 11.591 ( -5.367 9.635 0.246) 11.032 11.737 ( -3.988 8.218 -2.066) 9.365 11.927 ( -1.758 0.703 -7.673) 7.904 12.067 ( -4.010 -1.688 -6.064) 7.464 12.567 ( -14.431 -1.283 9.565) 17.361 12.713 ( -17.307 -3.944 7.659) 19.333 15.678 ( 12.668 2.076 0.290) 12.840 15.737 ( 12.040 0.280 -0.095) 12.044 16.435 ( 2.974 9.096 0.123) 9.571 16.662 ( -2.952 6.887 -5.168) 9.103 17.292 ( 6.548 5.104 1.736) 8.482 17.456 ( -0.681 0.125 -2.498) 2.592 17.596 ( 0.495 -2.455 3.592) 4.379 17.768 ( 0.220 -3.488 -1.357) 3.749 17.987 ( -1.038 5.137 4.725) 7.056 18.508 ( 6.297 5.592 -10.861) 13.743 19.152 ( 6.044 -11.934 10.034) 16.722 19.464 ( 8.476 -9.180 -0.880) 12.525 19.944 ( -7.008 -2.403 1.385) 7.537 20.012 ( -8.726 -3.836 0.341) 9.538 20.268 ( -1.396 0.164 -0.560) 1.513 20.321 ( -5.543 -0.859 -1.167) 5.729 ======================= Grid point 84 (34/60) ======================= q-point: ( 0.33 0.29 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.785 ( 13.145 16.488 0.506) 21.092 1.999 ( 10.199 10.887 8.132) 16.990 2.120 ( 5.515 9.512 -2.251) 11.223 2.184 ( 3.924 4.157 1.985) 6.052 2.384 ( 2.715 -0.837 -2.433) 3.740 2.449 ( 1.873 5.452 -5.812) 8.186 2.497 ( -0.218 1.031 -1.465) 1.805 2.598 ( 0.265 1.399 0.888) 1.679 2.659 ( 0.262 2.327 1.112) 2.593 2.716 ( -2.921 3.432 -0.001) 4.507 2.824 ( 3.648 3.917 -4.614) 7.067 2.929 ( 1.207 4.317 -0.448) 4.505 3.055 ( -1.953 0.760 -0.681) 2.203 3.159 ( -5.535 2.557 1.423) 6.261 3.362 ( -1.807 -1.327 -0.897) 2.415 3.395 ( -3.493 0.934 -0.251) 3.624 3.487 ( 2.980 0.973 -1.395) 3.431 3.644 ( 15.028 4.780 4.109) 16.296 3.719 ( 3.426 1.136 2.563) 4.427 3.955 ( 3.563 -2.636 -5.715) 7.233 4.074 ( 5.365 -0.198 -2.273) 5.830 4.231 ( -6.729 2.517 -2.980) 7.778 4.432 ( 2.873 2.028 0.227) 3.523 4.600 ( -1.236 0.811 -2.924) 3.276 4.880 ( 6.156 2.929 -0.009) 6.817 4.992 ( 7.826 -2.112 -0.755) 8.141 5.048 ( 0.196 -3.560 -4.766) 5.952 5.191 ( 1.909 -4.251 -2.792) 5.432 5.366 ( 5.594 -2.362 1.336) 6.217 5.470 ( 5.862 0.520 1.621) 6.104 5.523 ( 1.494 3.253 0.966) 3.707 5.579 ( 1.826 -0.914 4.714) 5.138 5.712 ( 4.881 -1.093 1.692) 5.280 5.778 ( -0.970 -3.633 -1.471) 4.038 5.902 ( 3.268 0.174 3.346) 4.680 5.996 ( 2.880 -0.492 1.120) 3.129 6.115 ( -0.938 -3.182 1.025) 3.472 6.280 ( 4.749 -1.117 0.912) 4.963 6.413 ( 4.709 -0.391 -1.164) 4.866 6.572 ( 7.400 -0.657 6.824) 10.088 6.727 ( 1.031 4.791 8.317) 9.653 7.013 ( 3.325 -2.286 -6.412) 7.576 7.082 ( 10.589 1.331 3.564) 11.251 7.309 ( 18.091 4.416 -3.490) 18.947 7.331 ( 9.632 0.577 -2.923) 10.082 7.589 ( 2.765 4.390 -1.466) 5.391 7.668 ( 3.421 2.511 4.090) 5.894 7.833 ( 6.197 -1.462 1.966) 6.664 8.066 ( 5.048 -4.828 0.787) 7.029 8.167 ( 2.479 -0.536 -5.579) 6.128 8.463 ( 6.664 -1.100 -6.500) 9.374 8.534 ( 1.661 -1.552 -1.002) 2.485 8.745 ( -0.459 3.819 3.310) 5.074 8.880 ( 0.543 1.188 1.545) 2.023 9.071 ( -4.977 5.821 3.091) 8.259 9.341 ( -5.758 2.401 -4.038) 7.431 9.590 ( 2.987 -5.156 -0.086) 5.959 9.641 ( 5.614 -3.519 -2.535) 7.094 9.890 ( -5.500 -8.873 5.080) 11.610 10.149 ( -4.098 -12.724 -2.853) 13.669 10.702 ( 13.814 0.515 3.026) 14.151 10.832 ( 12.784 -0.694 1.206) 12.859 11.508 ( -2.550 8.786 2.013) 9.367 11.670 ( -2.938 5.554 -1.090) 6.377 11.859 ( -5.793 0.375 -2.609) 6.364 11.991 ( -4.762 -2.841 -4.708) 7.274 12.291 ( -12.602 -3.581 4.671) 13.908 12.406 ( -13.881 -3.719 1.161) 14.417 15.937 ( 13.661 4.046 -0.249) 14.250 15.982 ( 13.309 2.575 0.525) 13.566 16.455 ( -1.173 9.206 -0.415) 9.289 16.589 ( -4.990 7.198 -1.673) 8.917 17.380 ( 3.903 2.573 -1.484) 4.905 17.456 ( 0.383 -1.222 -2.461) 2.774 17.618 ( -0.296 -3.803 2.361) 4.486 17.723 ( -4.847 -7.840 -0.956) 9.267 18.071 ( 10.662 9.194 6.805) 15.637 18.607 ( 3.216 7.476 -7.487) 11.058 19.254 ( 4.015 -11.438 6.414) 13.715 19.558 ( 0.072 -7.227 -1.828) 7.455 19.834 ( -4.710 -2.386 0.276) 5.287 19.889 ( -1.088 -5.543 0.745) 5.698 20.198 ( -6.493 0.024 -0.414) 6.506 20.228 ( -3.232 -0.619 -0.870) 3.404 ======================= Grid point 85 (35/60) ======================= q-point: ( 0.44 0.29 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.989 ( 7.934 14.752 0.161) 16.751 2.080 ( -1.284 11.459 1.653) 11.649 2.235 ( 5.709 7.508 0.093) 9.433 2.277 ( 3.030 4.939 1.350) 5.949 2.415 ( 1.512 3.469 -3.200) 4.956 2.459 ( -0.873 2.085 -0.066) 2.261 2.516 ( 2.134 3.018 -0.268) 3.707 2.562 ( -3.283 4.700 -0.723) 5.779 2.649 ( -0.251 4.492 1.292) 4.680 2.682 ( -1.006 2.773 1.253) 3.205 2.880 ( 1.775 4.557 0.374) 4.905 2.923 ( -0.596 3.398 -3.522) 4.930 3.008 ( -1.400 -0.451 -0.905) 1.727 3.053 ( -4.503 1.659 -3.551) 5.969 3.313 ( -1.303 -1.635 -1.457) 2.549 3.335 ( -3.080 -1.763 -0.970) 3.679 3.622 ( 9.257 2.557 -0.137) 9.604 3.735 ( -1.131 0.318 1.041) 1.570 3.887 ( 5.585 0.699 -2.020) 5.980 3.996 ( -6.352 -0.586 -3.443) 7.248 4.112 ( 8.015 3.460 -3.519) 9.412 4.229 ( 1.720 4.201 -5.323) 6.996 4.412 ( 2.032 -3.103 2.417) 4.428 4.555 ( -6.523 0.131 2.916) 7.147 4.969 ( 3.420 -0.377 -3.329) 4.788 5.020 ( -2.017 -2.515 -4.280) 5.358 5.139 ( 6.866 -4.733 -0.267) 8.343 5.222 ( -0.621 -6.601 -1.368) 6.770 5.455 ( 3.507 0.172 0.636) 3.569 5.493 ( -0.632 1.296 0.711) 1.608 5.561 ( 0.837 -0.803 0.810) 1.414 5.586 ( -1.026 1.150 3.130) 3.489 5.764 ( 2.475 0.295 -0.070) 2.493 5.810 ( -0.149 0.803 -1.220) 1.469 5.924 ( 3.945 -2.384 2.633) 5.308 6.025 ( -4.496 -2.711 0.851) 5.319 6.124 ( 5.508 4.009 2.689) 7.324 6.240 ( -5.948 2.892 0.378) 6.625 6.587 ( 6.987 -2.271 2.701) 7.828 6.665 ( -1.308 -2.941 3.134) 4.492 6.771 ( 10.618 3.742 6.095) 12.802 6.990 ( -7.902 -2.752 -3.448) 9.051 7.279 ( 10.317 -2.595 6.067) 12.247 7.430 ( -2.100 -2.106 4.022) 5.002 7.559 ( 7.853 5.891 -0.644) 9.838 7.661 ( 1.638 9.022 -3.022) 9.655 7.789 ( 10.056 2.711 2.057) 10.616 7.908 ( -0.014 0.071 0.325) 0.333 8.126 ( 2.182 -0.784 -0.624) 2.401 8.171 ( -1.928 3.219 -8.774) 9.542 8.516 ( 0.509 -3.724 -1.287) 3.973 8.544 ( -1.220 -4.810 -0.441) 4.982 8.815 ( 6.578 3.918 1.609) 7.823 8.922 ( -0.716 2.689 0.638) 2.855 8.990 ( 2.356 4.622 1.232) 5.332 9.172 ( -11.108 3.628 -2.948) 12.052 9.650 ( 4.438 -8.064 0.876) 9.246 9.735 ( -2.174 -7.256 1.275) 7.681 9.852 ( 6.500 -6.179 -0.496) 8.982 10.025 ( -8.809 -9.474 -2.956) 13.270 10.952 ( 10.829 3.257 4.530) 12.181 11.025 ( 4.795 3.525 3.633) 6.973 11.513 ( 3.387 6.155 -0.169) 7.028 11.609 ( -4.561 2.510 -3.065) 6.041 11.748 ( -2.432 1.549 3.983) 4.917 11.838 ( -9.867 -2.215 2.235) 10.357 12.164 ( -0.786 -6.372 -3.420) 7.274 12.216 ( -6.006 -5.581 -3.633) 8.967 16.171 ( 10.196 7.180 -1.468) 12.556 16.216 ( 9.185 6.120 -1.402) 11.126 16.395 ( -3.628 7.241 1.970) 8.335 16.467 ( -7.623 5.153 1.664) 9.351 17.461 ( 3.607 -0.303 -2.672) 4.499 17.476 ( 1.907 -1.935 -3.046) 4.081 17.573 ( -2.223 -4.614 1.031) 5.224 17.622 ( -5.366 -7.234 -0.825) 9.044 18.336 ( 15.063 10.238 5.283) 18.964 18.573 ( -7.898 10.594 0.106) 13.214 19.328 ( 5.483 -12.641 -0.734) 13.798 19.470 ( -7.929 -9.683 -3.415) 12.973 19.827 ( 4.171 -0.866 3.025) 5.224 19.906 ( -1.244 -2.689 2.448) 3.843 20.106 ( -1.087 -1.086 -1.212) 1.957 20.155 ( -4.176 -1.794 -1.446) 4.770 ======================= Grid point 90 (36/60) ======================= q-point: ( 0.00 0.43 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.419 ( 0.000 18.878 10.368) 21.538 1.596 ( 0.000 17.638 -0.613) 17.649 1.852 ( 0.000 -13.922 7.315) 15.727 2.015 ( 0.000 -11.211 -3.154) 11.646 2.182 ( 0.000 2.767 -6.201) 6.790 2.221 ( 0.000 -0.293 -2.558) 2.574 2.305 ( 0.000 3.875 -5.631) 6.836 2.405 ( 0.000 -4.894 -5.025) 7.015 2.640 ( 0.000 5.511 -0.534) 5.537 2.699 ( 0.000 -1.203 -1.984) 2.320 2.883 ( 0.000 18.556 11.604) 21.886 3.108 ( 0.000 3.247 -2.023) 3.825 3.186 ( 0.000 6.678 2.383) 7.090 3.224 ( 0.000 1.575 -0.048) 1.576 3.351 ( 0.000 -8.628 -3.867) 9.455 3.418 ( 0.000 -11.426 5.702) 12.770 3.535 ( 0.000 5.326 0.842) 5.392 3.593 ( 0.000 -2.334 -3.688) 4.365 3.690 ( 0.000 7.551 -4.900) 9.002 3.810 ( 0.000 -2.131 -3.145) 3.799 3.996 ( 0.000 5.081 6.648) 8.367 4.119 ( 0.000 -4.615 10.234) 11.226 4.344 ( 0.000 8.914 3.256) 9.490 4.447 ( 0.000 8.172 8.966) 12.131 4.531 ( 0.000 -7.722 0.400) 7.732 4.637 ( 0.000 -9.308 7.082) 11.696 4.982 ( 0.000 7.300 -3.973) 8.312 5.024 ( 0.000 5.459 -3.778) 6.639 5.097 ( 0.000 -4.833 -3.010) 5.694 5.237 ( 0.000 5.792 1.977) 6.120 5.247 ( 0.000 -9.161 -3.918) 9.963 5.344 ( 0.000 -1.204 -5.012) 5.154 5.489 ( 0.000 -2.393 0.662) 2.483 5.528 ( 0.000 -6.931 -0.306) 6.938 5.821 ( 0.000 6.420 2.912) 7.050 5.975 ( 0.000 -7.630 5.664) 9.502 6.025 ( 0.000 3.506 1.345) 3.755 6.105 ( 0.000 -3.858 -0.566) 3.899 6.244 ( 0.000 4.319 2.918) 5.213 6.322 ( 0.000 -0.877 1.692) 1.906 6.356 ( 0.000 -0.032 1.012) 1.012 6.404 ( 0.000 -4.899 -3.396) 5.961 6.722 ( 0.000 8.538 -8.459) 12.019 6.910 ( 0.000 -9.253 -8.156) 12.334 7.314 ( 0.000 6.681 -5.545) 8.682 7.368 ( 0.000 0.209 -2.679) 2.687 7.429 ( 0.000 1.420 3.316) 3.607 7.578 ( 0.000 -9.496 -1.733) 9.653 7.839 ( 0.000 3.088 0.447) 3.120 7.885 ( 0.000 -1.161 0.370) 1.218 8.463 ( 0.000 4.085 -0.049) 4.086 8.514 ( 0.000 -0.588 2.162) 2.240 8.940 ( 0.000 2.113 4.451) 4.927 8.974 ( 0.000 -0.111 3.163) 3.165 9.038 ( 0.000 2.725 -0.166) 2.730 9.098 ( 0.000 -3.608 2.138) 4.194 9.473 ( 0.000 6.546 -5.186) 8.351 9.614 ( 0.000 -4.754 -4.696) 6.682 9.945 ( 0.000 -5.890 -1.450) 6.066 10.013 ( 0.000 -11.521 -0.454) 11.530 10.210 ( 0.000 1.575 -0.477) 1.646 10.245 ( 0.000 -1.808 -1.365) 2.265 11.927 ( 0.000 8.906 -3.056) 9.416 11.975 ( 0.000 3.559 -7.256) 8.081 12.027 ( 0.000 1.584 -6.451) 6.643 12.111 ( 0.000 -5.721 -4.314) 7.165 12.904 ( 0.000 2.729 12.642) 12.934 12.995 ( 0.000 -6.367 12.499) 14.027 15.436 ( 0.000 0.889 -0.276) 0.930 15.449 ( 0.000 -0.246 -0.323) 0.406 16.516 ( 0.000 9.063 1.787) 9.237 16.669 ( 0.000 -5.787 -1.885) 6.086 17.194 ( 0.000 5.270 1.458) 5.468 17.300 ( 0.000 -4.965 -0.955) 5.056 17.805 ( 0.000 0.535 -0.165) 0.560 17.818 ( 0.000 -0.604 -0.633) 0.875 18.186 ( 0.000 10.290 1.823) 10.451 18.349 ( 0.000 -3.647 -0.176) 3.651 18.871 ( 0.000 2.920 2.438) 3.804 19.024 ( 0.000 -10.049 -1.391) 10.145 20.112 ( 0.000 1.132 1.120) 1.593 20.159 ( 0.000 -3.444 0.590) 3.494 20.318 ( 0.000 2.500 -0.309) 2.519 20.372 ( 0.000 -2.784 -0.846) 2.910 ======================= Grid point 91 (37/60) ======================= q-point: ( 0.11 0.43 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.612 ( 16.255 14.582 8.069) 23.281 1.694 ( 9.825 18.952 0.553) 21.355 1.916 ( 6.094 -10.358 5.603) 13.260 2.079 ( 5.863 -12.415 -1.592) 13.822 2.179 ( 0.943 3.203 -5.799) 6.692 2.246 ( 2.526 -2.320 -2.205) 4.077 2.395 ( 7.867 3.007 -5.634) 10.133 2.462 ( 5.933 -2.919 -4.534) 8.017 2.642 ( 0.220 4.192 -1.245) 4.379 2.696 ( -0.223 -1.749 -2.043) 2.699 2.887 ( 0.528 17.972 10.478) 20.810 3.062 ( -3.120 4.343 -2.666) 5.975 3.201 ( -1.199 0.408 0.449) 1.344 3.258 ( 3.397 4.782 1.056) 5.960 3.336 ( -0.434 -7.800 0.146) 7.813 3.424 ( 0.412 -6.998 2.199) 7.347 3.532 ( -0.413 5.690 0.904) 5.776 3.583 ( -1.063 1.133 -1.703) 2.305 3.720 ( 2.251 2.540 -4.739) 5.829 3.806 ( -0.286 -3.244 -2.748) 4.261 4.006 ( 1.127 5.928 5.455) 8.134 4.145 ( 2.906 -4.638 8.936) 10.479 4.333 ( 0.788 7.322 3.055) 7.973 4.494 ( 1.948 -5.177 -0.349) 5.542 4.609 ( 10.693 4.993 7.989) 14.251 4.752 ( 9.231 -7.056 5.082) 12.681 4.967 ( -2.007 3.916 -3.208) 5.446 5.062 ( 2.975 -0.090 -5.087) 5.894 5.117 ( 2.901 0.556 -2.289) 3.737 5.256 ( 2.081 -5.852 -4.232) 7.516 5.327 ( 7.759 7.008 1.086) 10.511 5.423 ( 6.919 -0.208 -4.810) 8.429 5.518 ( 2.843 -2.571 -1.895) 4.276 5.593 ( 6.517 -8.952 1.837) 11.224 5.800 ( -1.276 5.248 4.933) 7.315 5.931 ( -2.837 -5.770 4.240) 7.702 6.018 ( -1.725 2.057 4.064) 4.870 6.100 ( -0.849 -5.229 1.353) 5.468 6.271 ( 4.420 5.300 1.358) 7.034 6.371 ( 5.076 -2.395 -1.467) 5.802 6.491 ( 12.420 1.649 0.951) 12.565 6.535 ( 11.341 -2.961 -0.122) 11.722 6.757 ( 4.858 8.346 -7.261) 12.082 6.945 ( 3.606 -9.359 -8.600) 13.212 7.294 ( -2.693 6.423 -2.192) 7.302 7.385 ( 1.531 -2.393 -2.246) 3.622 7.488 ( 6.368 3.212 0.738) 7.171 7.625 ( 5.628 -8.574 -1.232) 10.330 7.851 ( 0.981 4.697 2.166) 5.265 7.932 ( 3.825 -2.915 0.732) 4.865 8.426 ( -2.896 2.783 -1.472) 4.278 8.461 ( -3.248 -0.411 -0.337) 3.291 8.910 ( -2.220 2.364 3.459) 4.742 8.953 ( -1.780 -0.523 3.075) 3.591 9.156 ( 9.545 3.598 1.006) 10.250 9.209 ( 9.374 -2.269 1.288) 9.730 9.452 ( -1.636 5.892 -4.931) 7.855 9.590 ( -2.249 -5.092 -4.615) 7.231 9.911 ( -3.419 -4.784 0.199) 5.883 9.988 ( -2.324 -10.742 -0.587) 11.006 10.282 ( 7.125 1.196 0.186) 7.227 10.322 ( 7.601 -2.685 -0.595) 8.083 11.888 ( -3.975 9.070 -2.660) 10.254 11.942 ( -3.246 3.792 -6.145) 7.917 11.994 ( -3.064 0.754 -6.786) 7.483 12.071 ( -3.868 -5.873 -3.929) 8.056 12.813 ( -9.300 2.311 11.469) 14.946 12.890 ( -10.442 -5.295 11.207) 16.207 15.512 ( 7.913 1.421 0.042) 8.040 15.532 ( 8.258 -0.490 -0.200) 8.275 16.548 ( 2.846 8.309 0.622) 8.804 16.684 ( 1.294 -4.675 -2.716) 5.559 17.254 ( 5.986 5.209 1.762) 8.128 17.358 ( 5.353 -4.773 -0.746) 7.211 17.728 ( -7.637 2.384 0.685) 8.030 17.765 ( -4.052 -1.274 -0.232) 4.254 18.175 ( -1.141 10.201 2.519) 10.569 18.376 ( 2.378 -7.359 -1.364) 7.853 18.940 ( 6.701 4.133 2.450) 8.245 19.102 ( 7.552 -9.723 -1.542) 12.408 20.055 ( -5.717 0.670 1.153) 5.871 20.094 ( -6.370 -3.128 0.598) 7.121 20.313 ( -0.769 2.064 -0.452) 2.249 20.357 ( -1.730 -2.256 -0.966) 3.002 ======================= Grid point 92 (38/60) ======================= q-point: ( 0.22 0.43 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.865 ( 11.407 15.832 1.183) 19.549 1.966 ( 14.502 9.297 5.314) 18.027 2.063 ( 8.834 -2.549 3.656) 9.895 2.182 ( 4.023 -8.453 -0.065) 9.362 2.231 ( 4.666 2.444 -3.726) 6.451 2.328 ( 5.571 -5.488 -1.415) 7.947 2.536 ( 5.625 5.126 -6.583) 10.062 2.609 ( 4.110 0.091 -2.927) 5.046 2.660 ( 4.582 -0.703 -3.079) 5.565 2.694 ( 1.339 -2.485 0.893) 2.961 2.909 ( 1.496 12.760 4.302) 13.549 3.007 ( -2.423 4.187 -4.652) 6.711 3.165 ( -2.300 2.487 0.088) 3.388 3.276 ( -1.295 -3.483 2.417) 4.433 3.350 ( 0.301 0.927 0.536) 1.112 3.426 ( -0.672 -3.261 0.519) 3.370 3.525 ( 0.242 5.330 0.389) 5.349 3.570 ( 1.374 3.398 3.273) 4.914 3.740 ( -0.074 0.741 -2.046) 2.178 3.819 ( 1.942 -5.601 -4.753) 7.598 4.038 ( 2.338 6.925 4.200) 8.430 4.207 ( 2.574 -6.853 7.724) 10.641 4.412 ( 7.319 7.515 0.124) 10.491 4.566 ( 4.834 -5.959 -3.833) 8.577 4.824 ( 7.675 4.295 3.435) 9.442 4.867 ( 2.674 0.034 -2.639) 3.758 4.969 ( 2.282 0.228 -1.822) 2.929 5.066 ( -0.224 -7.409 -2.912) 7.964 5.232 ( 6.399 2.990 -0.470) 7.079 5.311 ( 4.751 -3.557 -2.812) 6.567 5.494 ( 7.484 3.715 0.217) 8.359 5.542 ( 5.339 0.368 -3.288) 6.281 5.624 ( 7.407 1.123 1.967) 7.746 5.712 ( 3.798 -5.396 -0.045) 6.598 5.799 ( 1.715 2.858 4.783) 5.830 5.910 ( 0.812 -6.452 3.751) 7.507 6.004 ( 2.446 2.749 4.768) 6.023 6.108 ( 3.259 -5.697 3.677) 7.524 6.401 ( 7.673 3.969 -0.479) 8.652 6.454 ( 3.267 -0.069 -0.089) 3.269 6.722 ( 9.161 3.257 0.009) 9.723 6.790 ( 13.237 -2.059 -5.738) 14.574 6.963 ( 15.494 3.554 -1.720) 15.989 7.037 ( 6.832 -3.788 -3.348) 8.499 7.259 ( 1.383 6.730 2.233) 7.224 7.415 ( 2.132 -8.262 1.799) 8.720 7.652 ( 9.523 5.476 -1.015) 11.032 7.781 ( 9.596 -6.994 -0.836) 11.904 7.867 ( 1.045 7.229 3.037) 7.911 8.007 ( 4.206 -5.851 0.330) 7.214 8.400 ( 0.955 2.061 -4.048) 4.641 8.442 ( 1.163 -2.177 -4.531) 5.160 8.863 ( -2.583 3.272 3.286) 5.309 8.915 ( -2.082 -0.846 2.348) 3.250 9.286 ( 1.223 7.793 -1.598) 8.049 9.364 ( 4.326 -1.008 -1.586) 4.717 9.478 ( 6.320 2.312 -1.983) 7.016 9.554 ( -0.445 -3.382 -2.672) 4.333 9.822 ( -5.725 -3.972 3.365) 7.738 9.932 ( -3.218 -11.920 -0.437) 12.354 10.469 ( 12.216 1.752 1.437) 12.425 10.520 ( 12.824 -3.120 0.749) 13.219 11.790 ( -5.677 9.308 -1.554) 11.013 11.862 ( -4.801 3.852 -4.031) 7.357 11.926 ( -3.744 -0.841 -6.384) 7.448 11.981 ( -5.107 -6.207 -3.613) 8.812 12.570 ( -15.378 1.658 8.780) 17.786 12.629 ( -15.914 -3.887 7.752) 18.123 15.724 ( 13.719 1.926 0.428) 13.860 15.744 ( 13.471 -0.049 0.303) 13.475 16.601 ( 2.164 7.057 -1.012) 7.450 16.704 ( 0.300 -2.320 -3.410) 4.135 17.387 ( 6.247 4.160 0.674) 7.536 17.456 ( 3.494 -1.911 -1.009) 4.109 17.584 ( -5.943 2.723 2.528) 7.009 17.675 ( -5.016 -5.101 -0.123) 7.155 18.175 ( 2.542 12.454 3.679) 13.233 18.441 ( 5.125 -11.574 -2.317) 12.869 19.091 ( 7.797 6.010 2.691) 10.205 19.272 ( 8.886 -9.893 -1.705) 13.406 19.914 ( -8.082 -0.242 0.941) 8.140 19.940 ( -9.011 -2.703 0.490) 9.420 20.282 ( -2.556 0.994 -0.686) 2.827 20.303 ( -3.959 -0.958 -0.957) 4.184 ======================= Grid point 93 (39/60) ======================= q-point: ( 0.33 0.43 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.067 ( 9.263 11.320 0.033) 14.627 2.178 ( 7.309 4.651 2.716) 9.079 2.225 ( 7.229 0.890 0.872) 7.336 2.255 ( 4.904 -0.454 0.983) 5.022 2.346 ( 6.814 0.965 -0.581) 6.907 2.431 ( 4.784 -5.089 0.153) 6.986 2.567 ( -1.150 3.548 -4.444) 5.802 2.601 ( -1.336 -0.360 -0.052) 1.385 2.740 ( 4.654 5.494 -0.157) 7.202 2.820 ( 5.308 1.325 -2.935) 6.209 2.897 ( -1.374 4.655 -3.183) 5.805 2.979 ( -1.654 0.147 -3.822) 4.167 3.111 ( -3.544 5.030 1.997) 6.469 3.217 ( -4.464 -0.787 2.230) 5.052 3.312 ( -4.074 -0.229 1.486) 4.342 3.370 ( -4.718 -3.135 0.982) 5.749 3.568 ( 4.973 6.052 0.055) 7.833 3.676 ( 6.037 -3.239 2.538) 7.307 3.770 ( 5.232 3.872 -3.590) 7.433 3.872 ( 3.301 -5.419 -7.843) 10.088 4.105 ( 5.070 5.935 6.207) 9.972 4.240 ( 1.368 -4.560 5.785) 7.493 4.512 ( -0.762 6.694 -5.713) 8.833 4.613 ( -0.062 -1.299 -5.496) 5.647 4.871 ( 2.559 -0.331 -0.598) 2.648 4.934 ( 0.893 -4.956 -2.484) 5.615 5.006 ( 2.354 0.600 -2.549) 3.521 5.069 ( 0.752 -5.863 -3.575) 6.908 5.354 ( 6.505 1.901 1.571) 6.956 5.421 ( 5.187 -3.747 1.427) 6.556 5.581 ( 0.831 2.391 2.918) 3.863 5.628 ( 2.300 -0.053 -0.469) 2.347 5.716 ( 3.196 1.610 -0.000) 3.578 5.751 ( 3.908 0.792 2.158) 4.534 5.851 ( 1.750 0.010 1.793) 2.505 5.960 ( 3.375 -6.061 1.725) 7.148 6.111 ( 7.158 5.357 2.378) 9.251 6.245 ( 9.683 -5.511 2.177) 11.352 6.459 ( -0.253 6.438 -6.122) 8.888 6.564 ( 5.820 -1.827 1.100) 6.199 6.823 ( 2.554 3.282 3.317) 5.319 6.918 ( 1.971 -5.846 0.505) 6.190 7.151 ( 7.511 7.887 5.537) 12.218 7.315 ( 9.928 -3.753 1.837) 10.771 7.408 ( 13.954 3.299 0.514) 14.348 7.487 ( 8.967 -6.606 4.954) 12.189 7.814 ( 6.768 6.069 -0.611) 9.111 7.892 ( 1.849 3.126 2.423) 4.366 7.974 ( 9.703 -0.007 -1.274) 9.786 8.105 ( 6.130 -6.183 -4.089) 9.619 8.447 ( 2.369 -0.047 -7.679) 8.036 8.475 ( 1.004 -2.869 -5.912) 6.648 8.829 ( 0.095 4.043 3.964) 5.662 8.890 ( 0.390 -1.198 2.503) 2.802 9.239 ( -4.639 9.331 -3.084) 10.867 9.365 ( -3.510 -1.635 -5.573) 6.786 9.530 ( -1.097 0.469 2.250) 2.546 9.630 ( 3.781 -2.480 0.145) 4.524 9.712 ( -3.340 -1.502 4.350) 5.686 9.886 ( -1.511 -12.365 -1.081) 12.504 10.738 ( 15.515 2.679 2.820) 15.995 10.796 ( 15.512 -2.631 1.904) 15.849 11.693 ( -4.414 8.840 -1.005) 9.931 11.769 ( -4.922 3.315 -2.592) 6.476 11.847 ( -5.130 -1.483 -2.771) 6.016 11.895 ( -3.332 -6.093 -3.498) 7.776 12.262 ( -15.648 1.078 5.179) 16.518 12.321 ( -15.207 -4.120 3.106) 16.058 16.009 ( 15.481 2.513 0.534) 15.692 16.025 ( 15.434 1.005 0.787) 15.486 16.610 ( -1.729 5.958 -1.344) 6.348 16.675 ( -3.812 0.375 -2.203) 4.419 17.425 ( -1.364 2.872 -0.926) 3.311 17.475 ( -0.100 1.483 -0.709) 1.647 17.539 ( -1.099 -3.285 0.664) 3.527 17.581 ( -4.431 -5.352 -0.139) 6.950 18.312 ( 11.785 14.037 4.553) 18.885 18.589 ( 10.117 -10.526 -1.942) 14.728 19.172 ( -1.112 5.587 2.794) 6.345 19.368 ( -1.134 -10.999 -1.882) 11.217 19.799 ( -3.018 -0.576 0.800) 3.174 19.815 ( -0.970 -2.025 0.796) 2.382 20.205 ( -5.666 0.570 -0.876) 5.761 20.217 ( -4.617 -0.554 -1.070) 4.772 ======================= Grid point 94 (40/60) ======================= q-point: ( 0.44 0.43 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.203 ( 4.713 6.418 0.164) 7.964 2.241 ( 0.605 3.626 0.922) 3.790 2.330 ( 2.909 1.293 -1.148) 3.384 2.341 ( 2.280 0.775 -0.333) 2.431 2.468 ( 5.012 2.175 -0.489) 5.485 2.494 ( 1.754 0.142 -1.314) 2.196 2.555 ( 0.531 1.786 -0.638) 1.970 2.587 ( -1.055 -1.069 -0.526) 1.592 2.798 ( 1.164 8.778 1.174) 8.933 2.824 ( -0.535 8.990 -0.145) 9.007 2.934 ( 0.290 -2.707 -2.093) 3.434 2.954 ( 0.048 -0.942 -3.521) 3.645 3.048 ( -0.254 6.041 2.018) 6.374 3.120 ( -5.423 3.168 1.264) 6.407 3.245 ( -1.457 -4.106 2.194) 4.878 3.277 ( -4.231 -4.271 2.246) 6.418 3.685 ( 5.537 3.335 -0.587) 6.490 3.731 ( 0.661 -0.890 0.484) 1.210 3.879 ( 3.546 -0.767 -6.130) 7.123 3.915 ( 0.140 -4.248 -6.871) 8.079 4.231 ( 7.174 6.100 0.639) 9.438 4.320 ( 7.444 -0.968 1.558) 7.667 4.403 ( -6.487 6.464 -6.506) 11.233 4.534 ( -8.653 -3.490 -3.282) 9.890 4.913 ( 1.614 -2.706 0.015) 3.151 4.934 ( -0.613 -4.403 -0.221) 4.451 5.065 ( 3.353 -1.665 -2.686) 4.607 5.095 ( 0.659 -4.537 -2.791) 5.368 5.457 ( 4.105 0.906 2.634) 4.961 5.488 ( 1.479 -1.650 3.193) 3.887 5.563 ( -0.962 1.124 3.069) 3.407 5.594 ( -3.504 -1.415 2.183) 4.364 5.818 ( 4.881 2.552 -2.819) 6.187 5.846 ( 4.868 1.314 -0.207) 5.047 5.882 ( 1.512 0.951 0.044) 1.787 5.960 ( -3.395 -3.810 -0.181) 5.106 6.244 ( 6.637 7.947 0.090) 10.354 6.348 ( -2.377 4.755 -2.202) 5.754 6.480 ( 4.991 -4.700 -3.847) 7.861 6.581 ( -3.863 -6.937 -4.053) 8.915 6.896 ( 6.400 6.714 11.327) 14.640 6.976 ( 1.040 0.200 10.598) 10.650 7.221 ( 2.806 -0.419 7.272) 7.806 7.317 ( -5.076 -7.255 8.039) 11.959 7.682 ( 12.989 4.914 0.221) 13.889 7.756 ( 12.136 -1.911 0.414) 12.292 7.853 ( -3.112 4.547 -0.445) 5.528 7.903 ( -2.205 -0.442 1.501) 2.704 8.161 ( 9.571 4.377 -4.458) 11.429 8.225 ( 4.822 0.603 -7.992) 9.353 8.424 ( -3.992 -3.839 -4.369) 7.054 8.441 ( -4.220 -4.311 -6.307) 8.727 8.903 ( 7.038 4.529 2.870) 8.848 8.962 ( 5.423 -0.226 1.573) 5.651 9.130 ( -4.676 8.109 -1.728) 9.519 9.230 ( -9.964 0.041 -3.863) 10.687 9.524 ( 1.448 -2.719 3.378) 4.572 9.577 ( -3.828 -6.988 4.659) 9.230 9.772 ( 4.643 -0.452 -1.996) 5.074 9.848 ( -3.034 -7.185 -2.179) 8.098 11.021 ( 12.079 3.147 4.971) 13.435 11.061 ( 9.362 -0.296 4.655) 10.460 11.605 ( -3.899 3.346 -4.223) 6.650 11.655 ( -7.487 -0.311 -4.598) 8.791 11.777 ( 0.065 3.012 3.039) 4.279 11.832 ( -4.141 0.054 2.171) 4.676 12.053 ( -4.033 -2.748 -0.946) 4.971 12.097 ( -7.511 -5.469 -1.510) 9.413 16.289 ( 13.014 3.714 0.208) 13.535 16.307 ( 13.047 2.074 0.671) 13.227 16.521 ( -7.418 4.552 -0.568) 8.722 16.551 ( -8.863 1.973 -0.104) 9.081 17.420 ( 1.316 -0.817 -0.956) 1.821 17.466 ( -2.261 -4.478 0.209) 5.020 17.489 ( -0.494 0.636 -2.438) 2.567 17.523 ( -2.609 -2.460 -1.129) 3.760 18.582 ( 14.836 13.282 4.215) 20.353 18.754 ( 2.040 2.642 1.033) 3.494 19.089 ( -1.612 -5.419 0.224) 5.658 19.227 ( -11.090 -12.780 -2.197) 17.063 19.834 ( 4.665 1.224 2.164) 5.286 19.865 ( 2.922 -1.675 1.901) 3.867 20.101 ( -3.740 0.520 -1.782) 4.175 20.122 ( -4.726 -1.416 -1.862) 5.273 ======================= Grid point 126 (41/60) ======================= q-point: ( 0.00 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.103 ( 0.000 0.000 25.492) 25.492 1.166 ( 0.000 0.000 25.957) 25.957 1.570 ( 0.000 0.000 -20.443) 20.443 1.657 ( 0.000 0.000 -22.538) 22.538 2.066 ( 0.000 0.000 19.734) 19.734 2.156 ( 0.000 0.000 -1.597) 1.597 2.259 ( 0.000 0.000 24.394) 24.394 2.490 ( 0.000 0.000 2.303) 2.303 2.491 ( 0.000 0.000 -1.781) 1.781 2.767 ( 0.000 0.000 -4.929) 4.929 2.908 ( 0.000 0.000 6.324) 6.324 2.920 ( 0.000 0.000 0.571) 0.571 3.081 ( 0.000 0.000 3.423) 3.423 3.098 ( 0.000 0.000 -11.640) 11.640 3.130 ( 0.000 0.000 -1.462) 1.462 3.260 ( 0.000 0.000 -8.484) 8.484 3.414 ( 0.000 0.000 8.149) 8.149 3.542 ( 0.000 0.000 -1.014) 1.014 3.584 ( 0.000 0.000 -6.439) 6.439 3.601 ( 0.000 0.000 -9.145) 9.145 3.768 ( 0.000 0.000 0.737) 0.737 3.875 ( 0.000 0.000 -9.819) 9.819 4.390 ( 0.000 0.000 2.451) 2.451 4.468 ( 0.000 0.000 -5.785) 5.785 4.482 ( 0.000 0.000 19.339) 19.339 4.758 ( 0.000 0.000 -0.474) 0.474 4.882 ( 0.000 0.000 -1.824) 1.824 4.903 ( 0.000 0.000 -9.003) 9.003 5.143 ( 0.000 0.000 9.885) 9.885 5.295 ( 0.000 0.000 9.913) 9.913 5.362 ( 0.000 0.000 -10.543) 10.543 5.473 ( 0.000 0.000 -5.907) 5.907 5.662 ( 0.000 0.000 11.362) 11.362 5.675 ( 0.000 0.000 7.548) 7.548 5.819 ( 0.000 0.000 -5.866) 5.866 5.899 ( 0.000 0.000 -6.270) 6.270 6.161 ( 0.000 0.000 8.176) 8.176 6.197 ( 0.000 0.000 -0.521) 0.521 6.305 ( 0.000 0.000 3.243) 3.243 6.346 ( 0.000 0.000 7.617) 7.617 6.530 ( 0.000 0.000 -10.580) 10.580 6.533 ( 0.000 0.000 -9.642) 9.642 6.725 ( 0.000 0.000 8.886) 8.886 6.931 ( 0.000 0.000 -12.135) 12.135 7.318 ( 0.000 0.000 2.118) 2.118 7.457 ( 0.000 0.000 -8.473) 8.473 7.572 ( 0.000 0.000 -0.510) 0.510 7.584 ( 0.000 0.000 0.504) 0.504 7.667 ( 0.000 0.000 4.024) 4.024 7.782 ( 0.000 0.000 -5.777) 5.777 8.363 ( 0.000 0.000 5.109) 5.109 8.398 ( 0.000 0.000 2.726) 2.726 8.738 ( 0.000 0.000 4.582) 4.582 8.796 ( 0.000 0.000 -2.743) 2.743 9.072 ( 0.000 0.000 0.165) 0.165 9.109 ( 0.000 0.000 -4.120) 4.120 9.674 ( 0.000 0.000 7.878) 7.878 9.803 ( 0.000 0.000 -3.690) 3.690 10.289 ( 0.000 0.000 4.153) 4.153 10.312 ( 0.000 0.000 -0.361) 0.361 10.560 ( 0.000 0.000 4.448) 4.448 10.818 ( 0.000 0.000 -17.533) 17.533 11.335 ( 0.000 0.000 7.735) 7.735 11.464 ( 0.000 0.000 -5.292) 5.292 11.715 ( 0.000 0.000 7.861) 7.861 11.873 ( 0.000 0.000 -7.191) 7.191 13.275 ( 0.000 0.000 18.727) 18.727 13.619 ( 0.000 0.000 -14.872) 14.872 15.475 ( 0.000 0.000 0.649) 0.649 15.479 ( 0.000 0.000 0.182) 0.182 16.132 ( 0.000 0.000 0.063) 0.063 16.134 ( 0.000 0.000 -0.095) 0.095 17.122 ( 0.000 0.000 7.369) 7.369 17.275 ( 0.000 0.000 -7.230) 7.230 17.599 ( 0.000 0.000 0.510) 0.510 17.617 ( 0.000 0.000 -1.237) 1.237 17.941 ( 0.000 0.000 4.133) 4.133 18.030 ( 0.000 0.000 -4.616) 4.616 19.579 ( 0.000 0.000 7.164) 7.164 19.722 ( 0.000 0.000 -6.744) 6.744 20.249 ( 0.000 0.000 2.093) 2.093 20.280 ( 0.000 0.000 -1.010) 1.010 20.437 ( 0.000 0.000 1.118) 1.118 20.467 ( 0.000 0.000 -1.645) 1.645 ======================= Grid point 127 (42/60) ======================= q-point: ( 0.11 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.137 ( 3.178 0.000 22.010) 22.239 1.334 ( 14.613 0.000 18.029) 23.208 1.585 ( 1.885 0.000 -15.433) 15.547 1.768 ( 10.094 0.000 -18.148) 20.766 2.130 ( 4.881 0.000 8.145) 9.496 2.178 ( 1.895 0.000 -1.189) 2.237 2.349 ( 9.834 0.000 26.392) 28.164 2.477 ( -0.773 0.000 0.285) 0.824 2.507 ( 1.272 0.000 2.146) 2.494 2.785 ( 0.110 0.000 -1.407) 1.411 2.848 ( -3.208 0.000 4.568) 5.582 2.909 ( -2.407 0.000 -0.799) 2.536 3.086 ( -1.054 0.000 -8.068) 8.137 3.100 ( -1.548 0.000 -4.833) 5.075 3.173 ( 7.824 0.000 4.149) 8.856 3.306 ( 3.736 0.000 -5.670) 6.791 3.477 ( 3.284 0.000 5.078) 6.047 3.522 ( 1.446 0.000 2.119) 2.565 3.587 ( 0.274 0.000 -6.942) 6.947 3.661 ( 2.614 0.000 -9.094) 9.462 3.752 ( 1.156 0.000 0.567) 1.287 3.866 ( -0.242 0.000 -10.748) 10.751 4.434 ( 3.070 0.000 1.613) 3.468 4.496 ( 2.556 0.000 -4.188) 4.906 4.550 ( 5.048 0.000 13.468) 14.383 4.774 ( 2.300 0.000 2.073) 3.096 4.831 ( -1.488 0.000 -3.637) 3.930 4.964 ( 3.626 0.000 -9.055) 9.754 5.200 ( 6.128 0.000 8.474) 10.458 5.346 ( 3.498 0.000 5.131) 6.210 5.388 ( 4.589 0.000 -5.014) 6.797 5.505 ( 3.251 0.000 -4.560) 5.601 5.686 ( 2.937 0.000 11.377) 11.750 5.735 ( 6.653 0.000 11.417) 13.214 5.874 ( 6.479 0.000 -6.784) 9.381 5.984 ( 7.526 0.000 -6.127) 9.705 6.236 ( 5.613 0.000 9.881) 11.364 6.295 ( 4.060 0.000 5.784) 7.067 6.355 ( 5.555 0.000 -3.968) 6.827 6.404 ( 5.235 0.000 6.890) 8.653 6.555 ( 6.043 0.000 -12.431) 13.821 6.596 ( 3.357 0.000 -5.978) 6.856 6.653 ( -5.537 0.000 6.969) 8.901 6.845 ( -5.999 0.000 -11.262) 12.760 7.277 ( -2.208 0.000 2.991) 3.718 7.407 ( -3.383 0.000 -5.748) 6.669 7.596 ( 1.624 0.000 -2.454) 2.943 7.629 ( 1.820 0.000 -3.202) 3.683 7.693 ( 6.230 0.000 6.496) 9.001 7.842 ( 5.702 0.000 -7.052) 9.068 8.410 ( 3.463 0.000 5.587) 6.573 8.444 ( 3.821 0.000 2.830) 4.755 8.753 ( 1.788 0.000 4.403) 4.752 8.826 ( 2.265 0.000 -3.788) 4.413 9.114 ( 4.377 0.000 0.870) 4.462 9.174 ( 4.695 0.000 -4.494) 6.499 9.645 ( -2.431 0.000 8.023) 8.383 9.792 ( -1.210 0.000 -4.868) 5.016 10.308 ( 1.152 0.000 2.475) 2.730 10.323 ( 1.600 0.000 0.599) 1.709 10.586 ( 2.552 0.000 4.400) 5.086 10.777 ( -3.516 0.000 -11.770) 12.284 11.357 ( 1.818 0.000 3.970) 4.366 11.447 ( -1.021 0.000 -4.690) 4.800 11.740 ( 2.427 0.000 5.911) 6.390 11.884 ( 0.986 0.000 -6.876) 6.947 13.132 ( -13.938 0.000 14.673) 20.238 13.366 ( -22.652 0.000 -6.918) 23.685 15.528 ( 6.132 0.000 2.175) 6.506 15.590 ( 8.731 0.000 -4.084) 9.639 16.103 ( -0.588 0.000 3.623) 3.670 16.175 ( 2.799 0.000 -3.298) 4.326 17.184 ( 5.304 0.000 7.698) 9.348 17.340 ( 4.263 0.000 -7.125) 8.302 17.617 ( 2.372 0.000 1.269) 2.690 17.662 ( 5.904 0.000 -2.977) 6.612 17.970 ( 2.641 0.000 3.540) 4.417 18.058 ( 1.830 0.000 -4.923) 5.253 19.578 ( 0.015 0.000 7.122) 7.122 19.719 ( -0.232 0.000 -6.542) 6.546 20.224 ( -2.913 0.000 2.292) 3.707 20.258 ( -3.414 0.000 -0.917) 3.535 20.352 ( -6.074 0.000 3.208) 6.869 20.413 ( -5.401 0.000 -2.930) 6.145 ======================= Grid point 128 (43/60) ======================= q-point: ( 0.22 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.236 ( 7.069 0.000 15.712) 17.229 1.536 ( 4.237 0.000 -11.331) 12.097 1.727 ( 14.224 0.000 12.029) 18.628 1.974 ( 10.589 0.000 -10.091) 14.627 2.203 ( 2.338 0.000 0.850) 2.488 2.215 ( 2.020 0.000 -0.013) 2.020 2.460 ( -1.025 0.000 0.077) 1.028 2.469 ( 0.487 0.000 -1.129) 1.230 2.640 ( 9.316 0.000 14.932) 17.600 2.730 ( -2.453 0.000 4.793) 5.385 2.817 ( -2.310 0.000 0.544) 2.373 2.849 ( -3.018 0.000 -0.435) 3.049 3.049 ( -2.872 0.000 -5.973) 6.627 3.062 ( -1.721 0.000 -4.512) 4.829 3.334 ( 7.430 0.000 5.884) 9.478 3.365 ( -1.009 0.000 1.496) 1.804 3.488 ( 1.636 0.000 -1.229) 2.046 3.595 ( 0.444 0.000 -6.011) 6.028 3.639 ( 9.738 0.000 3.206) 10.252 3.675 ( 0.869 0.000 0.036) 0.870 3.852 ( 6.742 0.000 -5.588) 8.757 3.919 ( 7.622 0.000 -13.093) 15.150 4.433 ( -2.628 0.000 2.439) 3.586 4.524 ( -1.033 0.000 -5.983) 6.072 4.638 ( 4.692 0.000 9.207) 10.333 4.837 ( 1.665 0.000 -9.679) 9.821 4.892 ( 9.330 0.000 7.556) 12.006 5.046 ( 5.362 0.000 -7.332) 9.083 5.361 ( 8.957 0.000 4.967) 10.242 5.412 ( 3.891 0.000 1.583) 4.200 5.531 ( 8.182 0.000 -0.845) 8.225 5.581 ( 5.517 0.000 -3.707) 6.646 5.765 ( 4.564 0.000 12.186) 13.013 5.922 ( 10.155 0.000 11.032) 14.994 5.998 ( 4.729 0.000 -3.005) 5.603 6.148 ( 7.673 0.000 -2.573) 8.093 6.199 ( -9.003 0.000 7.485) 11.708 6.372 ( 2.312 0.000 -6.079) 6.504 6.380 ( 0.782 0.000 10.368) 10.398 6.565 ( 6.600 0.000 1.015) 6.677 6.613 ( 7.404 0.000 6.907) 10.126 6.704 ( 9.126 0.000 -6.608) 11.267 6.740 ( 11.345 0.000 -10.052) 15.157 6.801 ( 1.499 0.000 -9.219) 9.340 7.261 ( 0.080 0.000 3.148) 3.149 7.352 ( -2.272 0.000 -2.767) 3.581 7.646 ( 5.612 0.000 3.572) 6.652 7.759 ( 10.859 0.000 -6.578) 12.695 7.832 ( 6.785 0.000 2.659) 7.288 7.974 ( 7.759 0.000 -8.344) 11.395 8.450 ( 1.163 0.000 5.089) 5.220 8.507 ( 1.825 0.000 0.250) 1.842 8.799 ( 2.512 0.000 5.533) 6.076 8.875 ( 2.459 0.000 -0.959) 2.639 9.170 ( -0.047 0.000 2.166) 2.167 9.236 ( 1.066 0.000 -4.644) 4.765 9.616 ( 0.371 0.000 5.678) 5.690 9.761 ( -1.613 0.000 -6.697) 6.888 10.296 ( -2.533 0.000 6.302) 6.792 10.376 ( 2.264 0.000 -1.700) 2.831 10.651 ( 4.374 0.000 2.141) 4.870 10.732 ( 0.390 0.000 -5.396) 5.410 11.386 ( 0.981 0.000 2.626) 2.803 11.455 ( 2.097 0.000 -2.547) 3.300 11.797 ( 3.129 0.000 2.287) 3.875 11.908 ( 1.536 0.000 -6.097) 6.287 12.799 ( -19.528 0.000 7.392) 20.880 12.893 ( -24.853 0.000 -0.597) 24.860 15.678 ( 8.785 0.000 2.440) 9.117 15.761 ( 8.512 0.000 -5.777) 10.287 16.126 ( 2.953 0.000 6.142) 6.815 16.243 ( 4.134 0.000 -5.221) 6.659 17.274 ( 3.740 0.000 5.669) 6.791 17.389 ( 1.344 0.000 -5.508) 5.669 17.725 ( 8.791 0.000 4.795) 10.013 17.804 ( 6.067 0.000 -1.716) 6.305 18.034 ( 4.666 0.000 -1.514) 4.906 18.067 ( -0.788 0.000 -3.703) 3.785 19.581 ( 0.068 0.000 6.402) 6.402 19.710 ( -1.207 0.000 -5.919) 6.041 20.109 ( -8.277 0.000 3.606) 9.028 20.152 ( -5.736 0.000 -0.442) 5.753 20.284 ( -2.395 0.000 0.184) 2.402 20.303 ( -5.140 0.000 -1.734) 5.425 ======================= Grid point 129 (44/60) ======================= q-point: ( 0.33 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.388 ( 8.228 0.000 8.385) 11.748 1.583 ( 1.520 0.000 -10.717) 10.825 2.020 ( 14.944 0.000 11.348) 18.764 2.138 ( 5.005 0.000 -0.574) 5.038 2.220 ( 0.304 0.000 1.761) 1.787 2.277 ( 5.811 0.000 -3.239) 6.652 2.440 ( -1.001 0.000 0.026) 1.001 2.462 ( -0.754 0.000 -2.101) 2.232 2.632 ( -3.690 0.000 3.411) 5.025 2.718 ( -3.611 0.000 -4.390) 5.685 2.768 ( -3.269 0.000 4.352) 5.443 2.826 ( -0.174 0.000 0.160) 0.236 2.991 ( -2.291 0.000 -2.462) 3.363 3.053 ( 1.185 0.000 -6.512) 6.619 3.253 ( -7.832 0.000 3.189) 8.456 3.383 ( -4.488 0.000 -6.980) 8.299 3.563 ( 3.515 0.000 0.982) 3.649 3.589 ( 0.096 0.000 -3.206) 3.207 3.761 ( 9.021 0.000 9.597) 13.171 3.881 ( 13.304 0.000 2.863) 13.609 3.948 ( 3.410 0.000 -1.660) 3.792 4.102 ( 5.854 0.000 -10.243) 11.798 4.425 ( 4.886 0.000 1.971) 5.269 4.502 ( 1.185 0.000 -5.392) 5.521 4.717 ( 3.351 0.000 4.933) 5.964 4.846 ( -1.053 0.000 -7.840) 7.910 5.091 ( 10.506 0.000 3.633) 11.116 5.176 ( 8.179 0.000 -4.228) 9.207 5.456 ( 2.419 0.000 1.846) 3.043 5.491 ( 1.937 0.000 -1.581) 2.501 5.652 ( 4.642 0.000 4.523) 6.481 5.712 ( 4.081 0.000 -1.084) 4.222 5.836 ( 2.208 0.000 7.257) 7.586 5.930 ( -5.662 0.000 -0.010) 5.662 6.039 ( -0.087 0.000 2.854) 2.855 6.056 ( -4.260 0.000 5.239) 6.752 6.273 ( 2.568 0.000 1.547) 2.998 6.341 ( -3.350 0.000 -2.392) 4.117 6.487 ( 9.973 0.000 12.769) 16.202 6.684 ( 5.085 0.000 -0.771) 5.143 6.750 ( 4.274 0.000 -1.402) 4.498 6.814 ( 6.653 0.000 -8.710) 10.960 6.999 ( 20.036 0.000 -0.240) 20.038 7.087 ( 18.637 0.000 -5.837) 19.529 7.247 ( -1.305 0.000 0.639) 1.453 7.322 ( -0.687 0.000 -3.420) 3.488 7.796 ( 7.822 0.000 6.197) 9.979 7.895 ( -0.788 0.000 -1.080) 1.337 7.965 ( 7.464 0.000 1.464) 7.606 8.138 ( 9.659 0.000 -10.115) 13.986 8.468 ( 1.213 0.000 4.162) 4.335 8.540 ( 3.038 0.000 -2.232) 3.770 8.822 ( -0.252 0.000 6.469) 6.474 8.899 ( 0.097 0.000 0.328) 0.343 9.106 ( -6.165 0.000 3.901) 7.295 9.196 ( -5.414 0.000 -5.484) 7.706 9.686 ( 7.035 0.000 1.707) 7.239 9.761 ( 2.391 0.000 -4.830) 5.389 10.210 ( -6.037 0.000 7.665) 9.757 10.344 ( -5.816 0.000 -5.757) 8.183 10.772 ( 8.466 0.000 2.369) 8.791 10.821 ( 7.844 0.000 -2.047) 8.107 11.398 ( 0.445 0.000 6.500) 6.515 11.511 ( 2.724 0.000 -3.731) 4.619 11.840 ( 1.142 0.000 3.855) 4.020 11.948 ( 2.622 0.000 -5.136) 5.767 12.438 ( -17.306 0.000 0.830) 17.326 12.460 ( -19.465 0.000 -0.592) 19.474 15.839 ( 7.528 0.000 1.282) 7.636 15.899 ( 5.640 0.000 -4.489) 7.208 16.205 ( 4.945 0.000 6.389) 8.080 16.316 ( 2.984 0.000 -4.331) 5.260 17.345 ( 4.160 0.000 2.560) 4.884 17.416 ( 1.880 0.000 -4.337) 4.727 17.821 ( -2.999 0.000 3.120) 4.328 17.861 ( 0.710 0.000 -0.154) 0.727 18.073 ( 5.818 0.000 3.983) 7.051 18.184 ( 8.807 0.000 -5.874) 10.586 19.557 ( -3.097 0.000 3.546) 4.708 19.647 ( -5.611 0.000 -4.848) 7.416 19.995 ( -2.451 0.000 4.811) 5.399 20.076 ( -1.211 0.000 -2.809) 3.059 20.209 ( -4.544 0.000 1.183) 4.695 20.239 ( -2.850 0.000 -1.412) 3.181 ======================= Grid point 130 (45/60) ======================= q-point: ( 0.44 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.525 ( 5.529 0.000 1.146) 5.647 1.589 ( -1.274 0.000 -5.230) 5.383 2.171 ( 0.505 0.000 1.849) 1.916 2.179 ( 0.098 0.000 1.577) 1.580 2.318 ( 10.684 0.000 8.214) 13.477 2.410 ( 2.242 0.000 -0.866) 2.404 2.443 ( 3.379 0.000 0.744) 3.460 2.447 ( 0.301 0.000 1.118) 1.158 2.545 ( -4.100 0.000 1.817) 4.485 2.627 ( -6.720 0.000 -3.006) 7.362 2.723 ( 0.490 0.000 -2.277) 2.329 2.779 ( -4.104 0.000 -4.610) 6.173 3.000 ( 3.405 0.000 1.712) 3.811 3.102 ( -5.354 0.000 -1.377) 5.528 3.122 ( 3.921 0.000 -4.430) 5.916 3.253 ( -7.768 0.000 -10.471) 13.038 3.586 ( 0.953 0.000 1.264) 1.583 3.602 ( -0.148 0.000 -0.663) 0.679 3.907 ( 5.348 0.000 6.279) 8.248 3.971 ( -1.225 0.000 2.726) 2.989 4.068 ( 4.845 0.000 -2.909) 5.651 4.115 ( -1.433 0.000 -5.400) 5.587 4.567 ( 8.677 0.000 3.300) 9.283 4.620 ( 5.862 0.000 -0.028) 5.862 4.759 ( 0.928 0.000 -0.495) 1.051 4.795 ( -3.808 0.000 -4.742) 6.082 5.286 ( 9.909 0.000 2.363) 10.187 5.346 ( 8.361 0.000 -3.188) 8.948 5.464 ( -2.888 0.000 0.917) 3.030 5.486 ( -1.608 0.000 -1.094) 1.945 5.624 ( -4.736 0.000 2.734) 5.468 5.650 ( -6.798 0.000 0.145) 6.800 5.876 ( 2.413 0.000 1.128) 2.664 5.896 ( 0.246 0.000 -0.147) 0.286 6.074 ( 4.071 0.000 3.746) 5.532 6.079 ( 4.758 0.000 3.949) 6.183 6.200 ( -6.340 0.000 1.900) 6.619 6.214 ( -7.565 0.000 0.991) 7.629 6.745 ( 3.359 0.000 0.384) 3.381 6.769 ( 1.858 0.000 -2.593) 3.189 6.779 ( 11.806 0.000 10.382) 15.722 6.954 ( 0.648 0.000 -2.154) 2.249 7.153 ( 0.306 0.000 -2.807) 2.824 7.240 ( -4.390 0.000 -7.418) 8.619 7.408 ( 19.882 0.000 4.212) 20.323 7.522 ( 16.378 0.000 -6.727) 17.706 7.761 ( -11.082 0.000 1.666) 11.207 7.813 ( -7.775 0.000 -3.018) 8.340 8.110 ( 8.589 0.000 8.234) 11.898 8.231 ( -2.277 0.000 -0.005) 2.277 8.555 ( 7.214 0.000 -2.512) 7.638 8.609 ( 2.165 0.000 -4.597) 5.081 8.824 ( 2.225 0.000 6.901) 7.250 8.916 ( 2.280 0.000 -0.600) 2.357 8.954 ( -8.039 0.000 3.639) 8.825 9.049 ( -8.785 0.000 -4.425) 9.836 9.837 ( 6.430 0.000 -0.164) 6.432 9.859 ( 6.302 0.000 -2.264) 6.696 10.099 ( -3.341 0.000 4.066) 5.262 10.187 ( -9.386 0.000 -4.719) 10.506 10.931 ( 6.656 0.000 3.038) 7.317 10.961 ( 4.383 0.000 0.378) 4.400 11.419 ( 2.752 0.000 5.060) 5.760 11.505 ( -4.049 0.000 -3.184) 5.151 11.875 ( 4.063 0.000 8.391) 9.323 11.971 ( -2.430 0.000 1.686) 2.958 12.173 ( -6.671 0.000 -5.710) 8.781 12.207 ( -7.734 0.000 -6.507) 10.107 15.947 ( 3.521 0.000 -0.453) 3.550 15.967 ( 1.386 0.000 -2.350) 2.728 16.295 ( 3.994 0.000 3.752) 5.479 16.341 ( -0.583 0.000 -0.673) 0.890 17.429 ( 3.935 0.000 -0.288) 3.945 17.455 ( 1.395 0.000 -2.790) 3.119 17.753 ( -2.230 0.000 1.651) 2.775 17.786 ( -5.037 0.000 -1.691) 5.313 18.239 ( 7.919 0.000 4.701) 9.209 18.301 ( 1.995 0.000 -1.199) 2.328 19.493 ( -1.773 0.000 -0.621) 1.878 19.529 ( -5.251 0.000 -3.860) 6.517 20.015 ( 3.593 0.000 5.125) 6.259 20.082 ( -0.937 0.000 0.652) 1.141 20.135 ( -1.156 0.000 -0.346) 1.207 20.179 ( -3.368 0.000 -2.474) 4.179 ======================= Grid point 135 (46/60) ======================= q-point: ( 0.00 0.14 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.163 ( 0.000 6.682 23.714) 24.638 1.226 ( 0.000 6.087 23.733) 24.501 1.617 ( 0.000 4.993 -18.994) 19.639 1.695 ( 0.000 4.001 -20.915) 21.294 2.160 ( 0.000 2.905 3.170) 4.300 2.206 ( 0.000 5.168 3.224) 6.091 2.362 ( 0.000 10.755 23.161) 25.536 2.451 ( 0.000 -3.351 -0.371) 3.371 2.482 ( 0.000 -1.190 4.420) 4.577 2.789 ( 0.000 -1.918 1.694) 2.559 2.816 ( 0.000 0.155 1.056) 1.068 2.883 ( 0.000 -5.816 -9.753) 11.355 3.089 ( 0.000 4.685 4.456) 6.466 3.143 ( 0.000 4.439 6.065) 7.516 3.202 ( 0.000 3.180 -3.027) 4.391 3.289 ( 0.000 2.168 -4.016) 4.564 3.515 ( 0.000 2.824 -2.265) 3.620 3.543 ( 0.000 4.212 -1.201) 4.379 3.613 ( 0.000 3.213 -4.685) 5.681 3.660 ( 0.000 4.760 -6.722) 8.237 3.754 ( 0.000 -0.288 1.410) 1.439 3.866 ( 0.000 0.981 -10.582) 10.627 4.420 ( 0.000 2.965 5.160) 5.951 4.495 ( 0.000 2.121 -2.675) 3.414 4.542 ( 0.000 4.557 11.304) 12.188 4.720 ( 0.000 -2.933 2.773) 4.036 4.855 ( 0.000 -1.391 -3.544) 3.808 4.925 ( 0.000 1.879 -8.287) 8.497 5.160 ( 0.000 0.819 9.179) 9.216 5.296 ( 0.000 -0.166 7.393) 7.395 5.371 ( 0.000 -0.408 -8.755) 8.765 5.423 ( 0.000 -5.879 -3.395) 6.789 5.636 ( 0.000 1.362 9.093) 9.195 5.731 ( 0.000 1.407 4.660) 4.868 5.801 ( 0.000 -2.735 -4.571) 5.327 5.883 ( 0.000 -0.756 -5.272) 5.326 6.121 ( 0.000 -1.580 6.972) 7.148 6.223 ( 0.000 2.175 -0.603) 2.257 6.274 ( 0.000 -2.530 1.152) 2.780 6.393 ( 0.000 3.296 7.490) 8.183 6.451 ( 0.000 -5.758 -6.746) 8.870 6.589 ( 0.000 2.487 -7.500) 7.902 6.650 ( 0.000 -6.422 1.654) 6.632 6.778 ( 0.000 -9.744 -8.896) 13.194 7.238 ( 0.000 -6.019 5.151) 7.923 7.381 ( 0.000 -4.741 -6.129) 7.748 7.603 ( 0.000 1.540 3.130) 3.488 7.653 ( 0.000 4.191 -2.502) 4.881 7.730 ( 0.000 5.617 4.468) 7.177 7.880 ( 0.000 3.307 -7.677) 8.359 8.341 ( 0.000 -0.802 3.568) 3.657 8.373 ( 0.000 0.764 0.658) 1.008 8.812 ( 0.000 5.598 2.273) 6.042 8.843 ( 0.000 4.032 -2.284) 4.634 9.066 ( 0.000 -0.587 0.752) 0.954 9.086 ( 0.000 -1.551 -2.069) 2.586 9.622 ( 0.000 -4.615 7.004) 8.388 9.752 ( 0.000 -4.927 -4.313) 6.548 10.248 ( 0.000 -2.780 2.621) 3.821 10.274 ( 0.000 -2.853 -1.343) 3.153 10.442 ( 0.000 -10.991 4.532) 11.889 10.629 ( 0.000 -15.609 -10.404) 18.758 11.478 ( 0.000 10.754 1.371) 10.841 11.537 ( 0.000 7.450 -4.300) 8.602 11.807 ( 0.000 6.919 6.005) 9.161 11.950 ( 0.000 5.712 -7.389) 9.339 13.236 ( 0.000 -3.467 16.496) 16.857 13.501 ( 0.000 -9.670 -8.568) 12.919 15.431 ( 0.000 -2.135 1.005) 2.359 15.449 ( 0.000 -1.811 -0.630) 1.918 16.220 ( 0.000 9.779 6.147) 11.550 16.367 ( 0.000 14.075 -8.959) 16.684 17.134 ( 0.000 1.300 6.715) 6.839 17.280 ( 0.000 0.374 -7.515) 7.525 17.655 ( 0.000 5.609 0.601) 5.641 17.679 ( 0.000 5.132 -1.615) 5.380 17.950 ( 0.000 1.356 4.545) 4.743 18.050 ( 0.000 2.304 -5.125) 5.619 19.481 ( 0.000 -9.389 5.544) 10.904 19.568 ( 0.000 -14.278 -2.048) 14.425 20.221 ( 0.000 -3.313 2.614) 4.220 20.258 ( 0.000 -0.873 -0.641) 1.083 20.371 ( 0.000 -4.317 3.228) 5.390 20.438 ( 0.000 -2.443 -2.887) 3.782 ======================= Grid point 136 (47/60) ======================= q-point: ( 0.11 0.14 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.205 ( 5.717 7.572 20.250) 22.363 1.423 ( 14.783 7.690 15.159) 22.527 1.633 ( 3.653 4.944 -13.972) 15.265 1.821 ( 9.998 4.983 -16.387) 19.832 2.189 ( 2.694 2.762 2.602) 4.654 2.237 ( 2.668 4.831 -0.316) 5.528 2.412 ( 3.576 4.243 12.724) 13.881 2.463 ( 0.948 -2.045 -1.127) 2.520 2.512 ( 4.934 3.254 14.020) 15.215 2.762 ( -2.570 -2.417 3.239) 4.790 2.822 ( -0.093 -1.257 0.481) 1.349 2.888 ( 0.381 -2.408 -7.302) 7.699 3.075 ( -1.181 3.639 2.441) 4.539 3.178 ( 1.066 1.344 -1.884) 2.548 3.224 ( 3.885 6.650 2.052) 7.970 3.317 ( 2.710 1.667 -3.013) 4.383 3.482 ( -1.198 0.735 0.880) 1.658 3.544 ( -0.472 0.290 -0.967) 1.115 3.617 ( -0.257 2.795 -3.185) 4.245 3.698 ( 1.316 2.870 -6.386) 7.124 3.776 ( 4.474 3.451 -0.404) 5.664 3.885 ( 2.505 3.036 -11.140) 11.815 4.466 ( 2.094 1.971 2.630) 3.897 4.519 ( 3.238 2.694 0.190) 4.216 4.586 ( 2.907 2.614 7.288) 8.270 4.750 ( 3.857 -1.549 2.786) 5.004 4.849 ( 1.102 1.777 -3.544) 4.115 4.977 ( 3.982 1.073 -8.958) 9.862 5.212 ( 5.257 0.920 8.282) 9.853 5.335 ( 2.830 -1.317 4.953) 5.855 5.391 ( 3.398 -0.735 -5.905) 6.853 5.448 ( 2.832 -4.949 -3.739) 6.818 5.645 ( 3.127 -1.648 11.515) 12.045 5.787 ( 5.193 1.966 6.828) 8.801 5.863 ( 5.739 -1.477 -5.030) 7.773 5.956 ( 6.924 -2.788 -3.415) 8.208 6.211 ( 7.478 -2.044 8.676) 11.635 6.262 ( 0.121 -2.849 2.937) 4.093 6.335 ( 3.441 -0.098 -1.484) 3.749 6.415 ( 4.536 -0.567 -0.421) 4.590 6.531 ( 8.487 -1.773 -3.580) 9.380 6.595 ( -1.687 -3.794 5.480) 6.875 6.641 ( 3.899 2.103 -8.651) 9.719 6.773 ( 0.046 -3.674 -8.789) 9.526 7.233 ( -0.439 -4.151 3.163) 5.237 7.358 ( -1.487 -3.473 -5.654) 6.800 7.601 ( 1.195 1.277 2.547) 3.089 7.674 ( 2.862 3.020 -4.381) 6.042 7.761 ( 3.112 5.105 6.076) 8.525 7.923 ( 3.449 4.468 -8.143) 9.908 8.366 ( 1.841 -2.438 4.425) 5.377 8.402 ( 3.840 -2.498 1.129) 4.718 8.810 ( -0.032 4.327 2.850) 5.181 8.861 ( 0.969 2.765 -2.625) 3.934 9.117 ( 5.091 0.374 1.383) 5.288 9.161 ( 5.424 -0.644 -2.900) 6.184 9.596 ( -2.159 -4.406 6.624) 8.243 9.733 ( -1.875 -5.445 -5.169) 7.738 10.268 ( 0.471 -3.603 1.844) 4.075 10.282 ( 1.923 -3.629 0.113) 4.108 10.487 ( 4.390 -8.587 3.774) 10.356 10.624 ( -0.035 -12.799 -7.816) 14.997 11.471 ( -0.802 8.989 1.143) 9.097 11.528 ( -0.494 7.658 -4.505) 8.898 11.808 ( 0.231 5.318 5.114) 7.381 11.944 ( -0.597 4.501 -7.128) 8.451 13.101 ( -13.234 -2.751 13.314) 18.973 13.293 ( -19.318 -6.257 -4.237) 20.744 15.501 ( 6.948 -1.596 1.463) 7.277 15.537 ( 8.259 -2.562 -2.007) 8.877 16.234 ( 1.292 10.055 4.539) 11.107 16.348 ( -0.966 12.959 -6.917) 14.721 17.199 ( 5.504 1.415 6.810) 8.870 17.339 ( 4.087 0.007 -6.755) 7.896 17.647 ( 0.671 2.718 2.001) 3.442 17.697 ( 2.555 2.830 -2.848) 4.758 17.989 ( 3.017 2.164 3.808) 5.318 18.088 ( 3.141 3.313 -5.826) 7.402 19.488 ( 0.885 -8.673 5.872) 10.511 19.585 ( 1.761 -12.468 -2.992) 12.942 20.189 ( -3.633 -4.141 2.813) 6.185 20.224 ( -4.648 -1.642 -0.067) 4.929 20.319 ( -3.529 -2.247 2.913) 5.097 20.391 ( -4.459 -1.645 -3.441) 5.867 ======================= Grid point 137 (48/60) ======================= q-point: ( 0.22 0.14 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.356 ( 9.329 11.040 13.565) 19.822 1.625 ( 6.009 8.486 -10.137) 14.521 1.805 ( 13.371 6.917 9.789) 17.957 2.012 ( 9.510 3.557 -8.311) 13.121 2.242 ( 2.290 3.332 1.604) 4.349 2.283 ( 1.751 4.910 -1.385) 5.394 2.445 ( 0.698 -0.526 0.266) 0.914 2.478 ( 0.782 0.769 -2.804) 3.011 2.669 ( 6.612 1.595 10.138) 12.209 2.706 ( -2.695 -1.211 3.836) 4.842 2.812 ( -0.339 -0.231 1.859) 1.903 2.873 ( -1.886 1.079 -0.581) 2.249 3.042 ( -2.179 2.100 -0.082) 3.027 3.145 ( -3.271 4.565 -7.158) 9.099 3.329 ( 3.127 1.357 3.608) 4.963 3.380 ( 1.858 0.647 -0.286) 1.988 3.494 ( 2.896 1.443 4.298) 5.380 3.539 ( 2.393 -2.523 1.934) 3.979 3.635 ( 3.418 -0.650 -1.519) 3.797 3.726 ( 3.226 3.562 -6.153) 7.808 3.886 ( 5.525 2.867 -2.018) 6.544 3.987 ( 8.252 5.928 -11.932) 15.672 4.444 ( -3.130 0.286 3.853) 4.973 4.540 ( -1.701 1.230 -5.344) 5.741 4.677 ( 5.944 3.994 7.557) 10.411 4.853 ( 4.844 0.551 -6.806) 8.372 4.919 ( 6.477 2.965 3.769) 8.059 5.056 ( 4.743 0.848 -7.237) 8.694 5.353 ( 7.834 -0.370 5.232) 9.428 5.393 ( 4.409 -1.900 2.466) 5.397 5.508 ( 3.754 -3.136 -2.377) 5.439 5.525 ( 8.911 -3.597 -2.508) 9.931 5.748 ( 5.924 -1.264 10.534) 12.151 5.912 ( 5.838 -2.292 1.163) 6.379 5.959 ( 3.734 -2.856 5.680) 7.373 6.073 ( 0.195 -7.396 -0.345) 7.406 6.210 ( -0.616 0.665 2.929) 3.066 6.311 ( -0.975 -3.811 -0.524) 3.968 6.372 ( 7.214 -1.041 7.303) 10.318 6.585 ( 8.120 0.719 -2.018) 8.398 6.628 ( 6.987 1.551 4.636) 8.528 6.745 ( 8.260 0.887 -5.672) 10.059 6.771 ( 11.530 0.822 -5.600) 12.845 6.803 ( 6.339 5.239 -8.464) 11.801 7.242 ( 1.808 -1.926 3.619) 4.481 7.351 ( 0.607 0.599 -3.714) 3.811 7.673 ( 5.716 1.780 3.233) 6.804 7.769 ( 7.285 1.343 -3.489) 8.188 7.853 ( 6.177 1.630 2.234) 6.768 8.007 ( 5.673 2.542 -8.786) 10.763 8.408 ( 2.334 -3.575 5.214) 6.738 8.480 ( 3.127 -2.456 -1.324) 4.191 8.813 ( 0.472 1.175 4.809) 4.973 8.882 ( 1.149 0.600 -1.107) 1.705 9.179 ( 0.001 0.919 3.167) 3.298 9.240 ( 1.787 1.154 -3.858) 4.405 9.574 ( 0.834 -3.750 3.930) 5.496 9.692 ( -1.740 -5.966 -5.939) 8.597 10.245 ( -2.840 -5.318 5.408) 8.099 10.325 ( 0.740 -5.394 -2.446) 5.968 10.592 ( 6.720 -4.706 2.812) 8.672 10.668 ( 5.654 -5.036 -4.115) 8.617 11.454 ( -0.582 6.205 2.716) 6.799 11.531 ( 0.791 6.529 -3.773) 7.582 11.820 ( 1.029 1.943 2.611) 3.414 11.932 ( -0.476 1.790 -6.388) 6.651 12.779 ( -19.208 -1.787 7.389) 20.658 12.868 ( -23.318 -2.354 -0.406) 23.440 15.672 ( 10.305 0.051 1.815) 10.464 15.723 ( 10.476 -1.595 -2.845) 10.972 16.263 ( 1.761 10.273 3.489) 10.992 16.355 ( 1.637 9.628 -5.117) 11.025 17.289 ( 3.380 1.541 4.774) 6.049 17.386 ( 1.177 -0.038 -4.753) 4.897 17.712 ( 5.648 -1.331 4.167) 7.144 17.784 ( 4.881 -1.940 -2.349) 5.754 18.030 ( 1.253 1.729 4.173) 4.688 18.155 ( 4.480 6.376 -7.908) 11.102 19.516 ( 1.734 -6.470 6.088) 9.052 19.625 ( 1.853 -8.074 -4.343) 9.354 20.067 ( -8.445 -4.214 3.016) 9.909 20.097 ( -6.878 -3.922 0.106) 7.918 20.273 ( -2.093 -0.804 0.300) 2.262 20.298 ( -4.809 -0.355 -2.014) 5.226 ======================= Grid point 138 (49/60) ======================= q-point: ( 0.33 0.14 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.536 ( 8.976 13.320 7.118) 17.568 1.710 ( 3.123 11.635 -9.582) 15.393 2.063 ( 12.426 3.975 9.665) 16.237 2.163 ( 5.337 2.373 0.240) 5.846 2.279 ( 1.294 4.515 -0.220) 4.702 2.313 ( 3.726 2.949 -2.095) 5.193 2.450 ( 0.112 1.209 0.358) 1.266 2.498 ( 1.125 4.245 -2.523) 5.064 2.652 ( -3.059 1.124 2.012) 3.830 2.696 ( -2.033 -1.829 -1.807) 3.278 2.787 ( -2.201 1.203 3.513) 4.317 2.849 ( -1.366 1.978 -1.005) 2.605 3.000 ( -1.921 1.247 -0.746) 2.409 3.088 ( -1.768 3.620 -6.081) 7.294 3.252 ( -7.682 0.691 1.703) 7.899 3.353 ( -5.169 -1.654 -5.912) 8.025 3.566 ( 3.020 -0.068 3.879) 4.917 3.640 ( 4.727 3.128 -3.396) 6.607 3.758 ( 8.795 0.508 7.073) 11.298 3.873 ( 10.529 -0.632 -2.933) 10.948 3.974 ( 3.889 2.646 3.228) 5.705 4.119 ( 2.160 1.459 -8.160) 8.566 4.436 ( 4.100 0.684 2.219) 4.712 4.515 ( 1.607 0.620 -4.999) 5.288 4.772 ( 3.926 5.149 3.322) 7.278 4.887 ( -0.558 3.384 -8.001) 8.705 5.081 ( 9.162 -1.093 3.924) 10.027 5.168 ( 6.853 -0.988 -4.132) 8.063 5.430 ( 2.216 -1.787 2.306) 3.664 5.480 ( 1.368 -0.727 -2.284) 2.760 5.613 ( 6.740 -3.756 5.169) 9.287 5.686 ( 5.608 -2.823 -1.173) 6.387 5.807 ( -0.757 -2.804 4.680) 5.508 5.879 ( -6.476 -3.648 -0.606) 7.457 6.008 ( -0.101 -3.547 4.532) 5.755 6.033 ( 1.912 -1.495 2.140) 3.236 6.240 ( -0.609 -2.837 2.891) 4.095 6.320 ( -2.010 -1.907 -3.604) 4.546 6.513 ( 11.099 1.267 12.531) 16.788 6.687 ( 4.050 -0.057 1.783) 4.425 6.767 ( 0.612 0.712 -1.064) 1.419 6.832 ( 11.137 3.293 -7.996) 14.100 7.059 ( 18.065 4.981 -0.955) 18.763 7.124 ( 19.473 3.385 -5.401) 20.489 7.271 ( 0.857 2.456 2.671) 3.728 7.368 ( 0.872 4.612 -4.309) 6.371 7.792 ( 5.812 -0.469 5.690) 8.147 7.883 ( 1.106 -0.429 -0.392) 1.250 7.978 ( 6.851 0.741 0.908) 6.951 8.142 ( 8.110 0.205 -9.453) 12.457 8.453 ( 2.487 -2.230 3.318) 4.708 8.520 ( 2.182 -1.737 -2.532) 3.767 8.820 ( 0.123 -0.158 6.109) 6.112 8.893 ( -0.026 -0.486 -0.404) 0.633 9.118 ( -5.749 1.047 4.427) 7.331 9.202 ( -5.664 1.368 -4.712) 7.494 9.647 ( 6.714 -3.268 0.478) 7.482 9.698 ( 2.941 -5.476 -3.810) 7.290 10.156 ( -6.241 -5.419 6.636) 10.600 10.273 ( -6.020 -6.925 -5.157) 10.526 10.768 ( 11.226 -0.145 3.085) 11.643 10.825 ( 9.927 0.428 -1.954) 10.127 11.451 ( -0.018 4.703 5.516) 7.249 11.550 ( 0.646 3.555 -3.309) 4.899 11.837 ( 0.500 -0.225 2.967) 3.017 11.935 ( 0.920 -1.248 -5.166) 5.393 12.416 ( -17.745 -1.858 2.051) 17.959 12.452 ( -19.199 -1.074 -1.054) 19.258 15.867 ( 9.414 2.832 1.225) 9.907 15.913 ( 8.764 1.854 -2.906) 9.418 16.301 ( 2.123 8.044 4.369) 9.397 16.389 ( 1.251 6.473 -3.795) 7.606 17.348 ( 3.509 0.438 1.887) 4.008 17.407 ( 1.480 -0.669 -3.815) 4.146 17.763 ( -1.799 -4.423 3.086) 5.686 17.817 ( -2.358 -4.667 -2.264) 5.698 18.108 ( 8.663 4.390 8.176) 12.695 18.276 ( 7.425 7.165 -8.072) 13.100 19.522 ( -2.093 -3.825 4.185) 6.044 19.614 ( -3.907 -3.543 -4.452) 6.902 19.945 ( -2.735 -4.376 3.876) 6.454 20.008 ( -1.097 -5.797 -1.954) 6.215 20.204 ( -4.867 -0.458 0.693) 4.938 20.226 ( -3.135 -1.039 -1.262) 3.536 ======================= Grid point 139 (50/60) ======================= q-point: ( 0.44 0.14 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.678 ( 5.491 13.971 1.177) 15.057 1.737 ( -0.623 13.543 -4.502) 14.285 2.184 ( 1.814 1.626 2.201) 3.283 2.216 ( -1.030 2.466 -0.570) 2.732 2.360 ( 8.977 3.335 5.886) 11.240 2.433 ( 4.199 1.983 -1.293) 4.821 2.473 ( 2.620 3.383 3.441) 5.492 2.506 ( -0.639 4.678 2.421) 5.306 2.569 ( -3.532 2.458 0.556) 4.339 2.640 ( -4.613 0.870 -3.262) 5.717 2.758 ( 0.084 3.285 -1.634) 3.670 2.804 ( -3.274 2.224 -3.963) 5.601 2.995 ( 2.342 -0.267 2.028) 3.109 3.076 ( -3.435 -1.969 2.606) 4.740 3.134 ( 0.148 2.145 -8.287) 8.561 3.227 ( -6.858 -1.087 -9.358) 11.653 3.627 ( 3.494 3.130 2.760) 5.443 3.676 ( -0.752 5.277 -2.431) 5.859 3.896 ( 5.194 -0.637 5.661) 7.709 3.960 ( -1.179 -0.299 1.900) 2.256 4.057 ( 3.326 -1.585 -2.871) 4.671 4.102 ( -1.829 -0.647 -5.247) 5.594 4.549 ( 7.583 -1.912 4.420) 8.983 4.614 ( 3.209 -1.233 -0.359) 3.457 4.825 ( 1.600 5.668 -1.291) 6.030 4.854 ( -2.140 5.266 -4.727) 7.393 5.255 ( 8.766 -3.319 2.043) 9.593 5.305 ( 6.071 -4.048 -2.311) 7.653 5.442 ( -1.346 -1.156 0.590) 1.870 5.467 ( -2.418 -1.198 -1.510) 3.092 5.639 ( -3.392 0.223 2.472) 4.203 5.652 ( -4.822 0.512 1.455) 5.062 5.816 ( 2.150 -4.881 0.066) 5.333 5.830 ( 0.558 -5.123 -0.619) 5.190 6.057 ( 3.676 -1.934 4.058) 5.807 6.085 ( 3.517 -0.379 1.019) 3.681 6.171 ( -4.044 -1.260 3.540) 5.520 6.223 ( -6.412 0.080 -0.934) 6.480 6.710 ( 4.310 -3.174 1.755) 5.633 6.744 ( 0.131 -2.537 -1.807) 3.117 6.836 ( 10.741 5.164 10.534) 15.906 6.981 ( 0.408 2.874 0.704) 2.987 7.227 ( 1.816 6.459 -3.830) 7.726 7.307 ( -2.799 5.829 -7.617) 9.992 7.438 ( 16.601 3.034 3.626) 17.261 7.531 ( 14.216 1.023 -5.262) 15.193 7.772 ( -7.449 1.016 1.810) 7.733 7.829 ( -6.704 1.770 -3.273) 7.667 8.113 ( 7.971 0.055 7.291) 10.803 8.225 ( -1.745 -0.800 0.035) 1.920 8.530 ( 5.304 -3.021 -3.022) 6.811 8.571 ( 1.579 -3.579 -4.093) 5.661 8.840 ( 3.267 1.618 5.998) 7.019 8.908 ( 2.004 0.060 0.147) 2.011 8.983 ( -6.816 2.065 2.608) 7.584 9.053 ( -8.696 1.063 -3.802) 9.551 9.786 ( 6.416 -4.661 -0.012) 7.931 9.810 ( 6.572 -4.339 -2.394) 8.231 10.038 ( -3.968 -5.733 3.858) 7.969 10.118 ( -9.180 -6.358 -4.179) 11.923 10.969 ( 8.066 3.317 3.134) 9.268 10.997 ( 5.809 3.431 0.676) 6.780 11.454 ( 1.186 3.042 3.716) 4.947 11.521 ( -4.138 1.375 -2.766) 5.164 11.861 ( 3.185 -1.244 7.174) 7.947 11.941 ( -2.233 -2.777 1.221) 3.767 12.153 ( -6.928 -1.975 -4.491) 8.489 12.185 ( -8.302 -2.062 -5.877) 10.379 16.007 ( 4.727 5.685 -0.275) 7.398 16.029 ( 2.710 5.770 -2.363) 6.799 16.345 ( 2.567 4.502 3.572) 6.295 16.388 ( -1.421 4.179 -0.487) 4.441 17.423 ( 3.588 -0.522 -0.697) 3.692 17.443 ( 1.555 -1.097 -2.612) 3.232 17.701 ( -2.478 -4.565 1.460) 5.396 17.730 ( -4.898 -5.064 -1.432) 7.189 18.297 ( 8.742 5.608 5.428) 11.719 18.375 ( 1.259 6.630 -2.017) 7.044 19.464 ( -1.660 -3.288 -0.139) 3.686 19.506 ( -5.501 -2.758 -3.886) 7.278 19.971 ( 4.133 -3.853 4.694) 7.346 20.029 ( 0.606 -4.555 0.105) 4.597 20.120 ( -2.319 -1.358 0.244) 2.699 20.158 ( -3.846 -1.803 -2.308) 4.834 ======================= Grid point 144 (51/60) ======================= q-point: ( 0.00 0.29 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.381 ( 0.000 13.899 16.907) 21.887 1.411 ( 0.000 11.889 18.361) 21.874 1.771 ( 0.000 9.597 -15.255) 18.022 1.822 ( 0.000 8.328 -17.245) 19.150 2.168 ( 0.000 -1.450 1.346) 1.978 2.217 ( 0.000 -5.587 -2.556) 6.144 2.324 ( 0.000 -8.766 0.888) 8.811 2.392 ( 0.000 -5.251 -4.651) 7.015 2.637 ( 0.000 5.344 12.299) 13.410 2.744 ( 0.000 -3.531 -0.583) 3.579 2.810 ( 0.000 11.169 11.047) 15.709 2.960 ( 0.000 7.565 -1.413) 7.696 3.159 ( 0.000 2.617 3.846) 4.652 3.208 ( 0.000 1.599 -0.329) 1.632 3.326 ( 0.000 5.627 -1.137) 5.740 3.370 ( 0.000 7.939 -2.105) 8.214 3.531 ( 0.000 -0.535 -0.827) 0.985 3.544 ( 0.000 -3.081 -1.059) 3.258 3.696 ( 0.000 0.364 0.693) 0.783 3.714 ( 0.000 4.038 -1.345) 4.256 3.869 ( 0.000 9.519 -0.727) 9.547 3.995 ( 0.000 11.174 -12.361) 16.663 4.484 ( 0.000 0.901 5.733) 5.804 4.530 ( 0.000 2.964 11.605) 11.978 4.607 ( 0.000 0.915 -2.110) 2.300 4.710 ( 0.000 3.201 0.469) 3.235 4.848 ( 0.000 0.718 0.689) 0.995 4.966 ( 0.000 1.679 -2.947) 3.392 5.153 ( 0.000 -2.121 0.351) 2.150 5.224 ( 0.000 -9.296 1.543) 9.424 5.301 ( 0.000 -3.139 -0.260) 3.150 5.321 ( 0.000 -4.027 -3.513) 5.344 5.608 ( 0.000 -6.136 1.729) 6.375 5.699 ( 0.000 -4.476 -0.318) 4.488 5.794 ( 0.000 5.100 6.265) 8.078 5.905 ( 0.000 2.789 -6.278) 6.870 6.093 ( 0.000 -2.294 6.139) 6.554 6.224 ( 0.000 -2.406 -1.071) 2.633 6.277 ( 0.000 0.142 -1.535) 1.541 6.329 ( 0.000 -2.355 -6.568) 6.977 6.435 ( 0.000 -6.045 3.556) 7.013 6.486 ( 0.000 -4.819 4.773) 6.783 6.543 ( 0.000 0.582 1.055) 1.205 6.778 ( 0.000 5.057 -15.200) 16.019 7.136 ( 0.000 -2.722 7.241) 7.736 7.307 ( 0.000 -2.548 -6.594) 7.070 7.581 ( 0.000 -4.085 4.241) 5.888 7.668 ( 0.000 -4.489 -5.056) 6.761 7.820 ( 0.000 3.224 3.620) 4.848 7.884 ( 0.000 0.097 -1.856) 1.859 8.382 ( 0.000 4.827 3.178) 5.780 8.458 ( 0.000 5.495 -3.394) 6.459 8.925 ( 0.000 5.025 0.705) 5.075 8.931 ( 0.000 4.275 -0.908) 4.371 9.047 ( 0.000 -0.197 3.096) 3.102 9.093 ( 0.000 2.305 -2.093) 3.114 9.504 ( 0.000 -6.719 5.277) 8.544 9.624 ( 0.000 -6.878 -5.465) 8.785 10.158 ( 0.000 -12.866 2.607) 13.127 10.208 ( 0.000 -1.387 1.029) 1.727 10.233 ( 0.000 -4.966 -1.888) 5.313 10.285 ( 0.000 -14.699 -4.612) 15.406 11.693 ( 0.000 10.088 -0.490) 10.100 11.723 ( 0.000 9.213 -4.116) 10.090 11.926 ( 0.000 4.025 3.435) 5.292 12.037 ( 0.000 1.955 -6.598) 6.882 13.160 ( 0.000 -3.312 11.868) 12.322 13.303 ( 0.000 -8.810 -1.169) 8.888 15.417 ( 0.000 0.490 0.463) 0.674 15.433 ( 0.000 0.165 -0.890) 0.905 16.424 ( 0.000 8.945 6.708) 11.181 16.575 ( 0.000 5.810 -8.152) 10.010 17.176 ( 0.000 2.634 4.934) 5.593 17.284 ( 0.000 -0.077 -5.650) 5.651 17.769 ( 0.000 3.597 -0.389) 3.618 17.776 ( 0.000 3.321 -1.035) 3.479 18.037 ( 0.000 8.232 4.913) 9.587 18.153 ( 0.000 8.156 -6.180) 10.233 19.202 ( 0.000 -16.721 5.690) 17.663 19.255 ( 0.000 -14.449 -0.199) 14.450 20.162 ( 0.000 -2.050 2.963) 3.603 20.221 ( 0.000 -3.009 -2.701) 4.043 20.316 ( 0.000 -0.742 3.796) 3.867 20.388 ( 0.000 -2.306 -2.965) 3.757 ======================= Grid point 145 (52/60) ======================= q-point: ( 0.11 0.29 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.444 ( 7.827 15.008 14.469) 22.268 1.613 ( 15.588 10.593 12.569) 22.654 1.787 ( 4.360 9.810 -11.350) 15.623 1.954 ( 9.311 7.563 -13.597) 18.132 2.199 ( 3.875 -2.027 2.144) 4.870 2.260 ( 3.464 -3.609 -3.379) 6.036 2.366 ( 3.919 -6.518 0.200) 7.608 2.414 ( 2.395 -3.850 -4.478) 6.372 2.648 ( 1.179 2.128 8.891) 9.218 2.738 ( -0.562 -3.081 -0.679) 3.204 2.809 ( 0.152 10.313 10.768) 14.911 2.941 ( -1.817 5.443 -1.054) 5.834 3.155 ( -1.399 3.837 2.523) 4.800 3.213 ( 1.086 2.237 -0.088) 2.488 3.375 ( 3.496 3.804 -0.496) 5.190 3.392 ( 2.551 8.592 -0.835) 9.001 3.496 ( -3.504 -1.213 -0.157) 3.712 3.524 ( -0.087 -0.656 -2.488) 2.575 3.668 ( -2.224 2.373 2.672) 4.209 3.745 ( 2.112 2.098 -3.179) 4.355 3.895 ( 2.556 7.372 0.238) 7.806 4.032 ( 3.908 10.476 -11.838) 16.284 4.466 ( -1.216 -1.395 8.532) 8.731 4.577 ( 1.201 1.179 0.577) 1.779 4.654 ( 5.917 4.576 4.065) 8.513 4.752 ( 3.994 1.890 -0.635) 4.464 4.890 ( 4.062 1.823 -0.442) 4.474 4.994 ( 2.511 0.097 -5.088) 5.675 5.201 ( 5.465 -3.634 4.883) 8.180 5.273 ( 3.498 -4.878 0.501) 6.023 5.304 ( 2.513 -4.913 -2.028) 5.879 5.388 ( 5.651 -1.911 -4.488) 7.465 5.611 ( 3.050 -2.612 7.155) 8.205 5.756 ( 3.746 -4.660 -1.329) 6.125 5.844 ( 4.087 1.286 4.162) 5.973 5.917 ( 1.453 -0.141 -4.097) 4.349 6.151 ( 2.629 -3.647 5.263) 6.922 6.206 ( 2.210 -4.088 -0.510) 4.675 6.290 ( -2.570 -3.349 2.335) 4.824 6.390 ( 7.679 -1.804 -4.154) 8.915 6.519 ( 9.438 -0.591 1.897) 9.645 6.571 ( 7.647 1.507 2.636) 8.228 6.600 ( 6.793 -1.015 -0.411) 6.881 6.821 ( 4.045 4.806 -13.791) 15.154 7.152 ( 1.484 -2.209 5.710) 6.300 7.305 ( 0.870 -1.648 -6.532) 6.793 7.595 ( 2.224 -2.607 4.129) 5.366 7.691 ( 3.483 -2.968 -5.402) 7.080 7.855 ( 2.357 3.765 5.692) 7.220 7.954 ( 5.401 -0.185 -3.148) 6.254 8.360 ( -1.660 1.696 1.743) 2.944 8.406 ( -2.750 2.709 -2.184) 4.436 8.896 ( -2.350 3.981 1.287) 4.799 8.920 ( -0.999 3.176 -0.757) 3.414 9.138 ( 7.069 2.124 2.729) 7.870 9.182 ( 7.321 2.845 -2.168) 8.148 9.482 ( -1.687 -6.492 4.688) 8.184 9.600 ( -2.233 -6.886 -5.731) 9.233 10.120 ( -2.202 -10.773 2.538) 11.285 10.179 ( -1.631 -8.675 -2.259) 9.111 10.331 ( 7.936 -5.060 1.561) 9.541 10.378 ( 8.238 -7.660 -2.949) 11.629 11.666 ( -2.656 9.644 0.046) 10.003 11.707 ( -1.529 8.603 -4.401) 9.784 11.902 ( -2.240 3.204 3.249) 5.083 12.010 ( -2.572 1.254 -6.403) 7.013 13.041 ( -11.966 -2.691 10.159) 15.926 13.154 ( -14.488 -6.605 -0.168) 15.923 15.493 ( 7.766 0.778 0.955) 7.863 15.517 ( 8.266 0.182 -1.251) 8.362 16.436 ( 1.169 8.793 5.075) 10.220 16.561 ( -1.027 6.745 -7.202) 9.921 17.241 ( 5.844 2.608 4.836) 8.021 17.342 ( 4.597 0.146 -5.069) 6.845 17.707 ( -4.120 2.628 2.064) 5.305 17.746 ( -2.067 1.520 -1.735) 3.097 18.076 ( 2.344 6.724 4.846) 8.613 18.201 ( 4.255 7.419 -7.393) 11.305 19.235 ( 3.412 -14.887 5.905) 16.375 19.303 ( 4.940 -13.398 -1.245) 14.334 20.115 ( -4.952 -2.692 2.861) 6.321 20.164 ( -6.027 -3.739 -1.603) 7.271 20.298 ( -1.406 0.166 2.485) 2.860 20.359 ( -2.833 -1.493 -2.907) 4.325 ======================= Grid point 146 (53/60) ======================= q-point: ( 0.22 0.29 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.638 ( 11.525 15.522 10.126) 21.824 1.848 ( 8.677 12.258 -7.092) 16.608 1.965 ( 12.369 7.976 5.660) 15.768 2.108 ( 6.838 5.352 -5.270) 10.158 2.293 ( 4.197 0.904 0.261) 4.301 2.323 ( 2.912 -1.462 -0.251) 3.268 2.429 ( 3.110 -2.160 -0.492) 3.819 2.501 ( 5.680 -0.186 -6.687) 8.776 2.667 ( 0.437 0.013 3.952) 3.977 2.717 ( -1.790 0.379 -0.184) 1.839 2.828 ( 0.789 3.264 5.031) 6.049 2.901 ( -1.743 2.224 -1.144) 3.048 3.119 ( -1.955 4.912 4.000) 6.629 3.223 ( -0.501 4.009 -2.581) 4.794 3.398 ( -3.361 1.985 -0.434) 3.927 3.412 ( -0.737 3.662 -1.069) 3.886 3.471 ( 1.988 -0.769 3.808) 4.364 3.583 ( 6.029 1.818 -2.339) 6.717 3.654 ( 2.528 4.493 4.703) 6.979 3.778 ( 1.962 0.858 -4.679) 5.146 3.964 ( 4.539 5.182 2.511) 7.332 4.132 ( 5.563 7.757 -11.776) 15.159 4.435 ( -1.505 -0.252 7.065) 7.228 4.556 ( -2.844 0.153 -4.044) 4.946 4.781 ( 5.989 4.797 2.900) 8.203 4.848 ( 5.718 -1.180 -1.891) 6.137 4.964 ( 3.155 0.026 0.739) 3.241 5.051 ( 3.134 -2.275 -6.014) 7.153 5.327 ( 5.476 -4.031 3.561) 7.675 5.366 ( 8.652 0.687 3.761) 9.459 5.418 ( 7.135 -2.975 -2.552) 8.141 5.495 ( 5.112 -0.247 -3.889) 6.428 5.727 ( 6.946 -0.564 7.371) 10.144 5.820 ( 2.249 -4.980 1.920) 5.792 5.901 ( 2.352 -3.407 1.817) 4.521 5.928 ( -1.063 -4.621 -3.215) 5.729 6.168 ( 0.938 -4.677 3.488) 5.909 6.245 ( 1.569 -3.198 -1.192) 3.756 6.344 ( 7.190 -1.333 8.208) 10.993 6.537 ( 6.844 -4.645 -3.782) 9.095 6.711 ( 9.893 4.539 1.396) 10.974 6.742 ( 7.009 1.932 0.349) 7.278 6.834 ( 18.824 4.973 -0.764) 19.484 6.941 ( 9.214 5.734 -10.148) 14.858 7.203 ( 4.843 -0.665 7.083) 8.607 7.373 ( 5.809 0.882 -7.509) 9.534 7.681 ( 6.240 -1.169 4.687) 7.891 7.802 ( 6.778 -0.518 -6.079) 9.119 7.888 ( 2.177 2.925 7.463) 8.306 8.046 ( 4.243 0.975 -5.962) 7.383 8.339 ( 0.253 -2.547 2.616) 3.660 8.417 ( 2.808 -3.437 -3.866) 5.885 8.850 ( -2.113 2.893 3.171) 4.784 8.900 ( -0.983 1.445 -1.148) 2.091 9.218 ( 0.045 3.041 4.318) 5.282 9.294 ( 2.365 3.469 -3.403) 5.404 9.484 ( 3.123 -4.356 2.080) 5.749 9.563 ( -0.775 -5.678 -4.748) 7.442 10.077 ( -2.831 -10.509 3.867) 11.550 10.146 ( -2.208 -11.588 -2.870) 12.141 10.517 ( 11.698 -2.059 3.237) 12.311 10.577 ( 12.211 -3.433 -2.278) 12.888 11.608 ( -2.916 8.249 1.856) 8.944 11.674 ( -1.695 6.795 -4.355) 8.247 11.856 ( -2.194 1.163 2.162) 3.292 11.951 ( -3.327 -0.471 -5.860) 6.756 12.739 ( -18.581 -1.805 6.691) 19.831 12.806 ( -20.591 -3.428 0.607) 20.883 15.694 ( 12.643 2.014 1.298) 12.868 15.723 ( 12.646 1.141 -1.251) 12.759 16.462 ( 1.283 8.505 2.849) 9.061 16.548 ( -0.327 7.566 -5.451) 9.331 17.339 ( 3.078 3.274 2.800) 5.294 17.399 ( 0.961 1.479 -3.034) 3.510 17.672 ( 0.349 -2.452 3.493) 4.283 17.731 ( 0.067 -3.173 -2.364) 3.957 18.114 ( 2.898 6.422 7.802) 10.513 18.295 ( 5.784 6.637 -9.951) 13.286 19.324 ( 5.326 -11.208 6.738) 14.120 19.424 ( 6.700 -10.601 -3.300) 12.967 19.981 ( -8.252 -3.453 2.050) 9.178 20.011 ( -8.964 -4.137 -0.684) 9.897 20.265 ( -2.313 0.094 0.508) 2.370 20.290 ( -4.254 -0.418 -1.690) 4.596 ======================= Grid point 147 (54/60) ======================= q-point: ( 0.33 0.29 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.852 ( 10.273 15.770 5.792) 19.692 1.994 ( 6.334 14.186 -7.202) 17.124 2.165 ( 7.553 5.559 5.204) 10.725 2.219 ( 4.551 2.718 0.154) 5.303 2.353 ( 1.621 1.659 -0.813) 2.458 2.363 ( 3.725 2.771 -1.948) 5.035 2.495 ( 3.189 1.111 2.459) 4.177 2.589 ( 2.895 1.072 -4.279) 5.277 2.668 ( -0.817 2.313 0.711) 2.554 2.692 ( -0.131 3.635 -0.584) 3.684 2.799 ( -1.349 0.646 2.365) 2.799 2.884 ( -1.072 0.974 -4.761) 4.976 3.070 ( -3.348 5.668 4.955) 8.240 3.185 ( -3.620 5.437 -1.689) 6.747 3.296 ( -6.511 2.914 -2.193) 7.463 3.352 ( -5.168 1.506 -4.623) 7.096 3.542 ( 5.435 -1.525 7.254) 9.192 3.696 ( 4.273 1.593 -5.264) 6.965 3.766 ( 7.162 -0.046 4.305) 8.356 3.854 ( 6.172 -2.092 -3.609) 7.449 4.060 ( 4.355 5.442 3.753) 7.916 4.170 ( -2.207 4.374 -4.363) 6.560 4.442 ( 0.648 -0.005 1.672) 1.794 4.515 ( 1.665 -0.289 -4.814) 5.102 4.876 ( 3.845 2.991 0.874) 4.949 4.932 ( 2.447 -0.059 -4.367) 5.007 5.034 ( 4.822 -3.690 2.664) 6.631 5.110 ( 3.433 -5.302 -4.467) 7.736 5.417 ( 3.828 0.026 3.549) 5.220 5.490 ( 1.358 1.756 -3.021) 3.749 5.534 ( 6.558 -1.942 4.151) 8.001 5.619 ( 7.074 -2.623 -2.927) 8.092 5.752 ( -3.538 -1.382 4.316) 5.749 5.802 ( -3.074 -2.955 0.968) 4.372 5.947 ( 2.098 -3.186 0.497) 3.847 5.975 ( 5.040 -2.922 -2.079) 6.185 6.184 ( 0.284 -2.249 5.537) 5.984 6.280 ( -0.207 -1.605 -2.861) 3.287 6.482 ( 7.846 -4.247 7.397) 11.589 6.631 ( 2.901 -6.132 -4.889) 8.362 6.830 ( 6.131 5.997 6.384) 10.691 6.954 ( 11.310 8.196 -0.186) 13.969 7.151 ( 12.270 2.916 0.735) 12.633 7.213 ( 18.734 4.821 -4.892) 19.954 7.343 ( 9.035 4.472 4.922) 11.219 7.483 ( 4.605 5.413 -7.133) 10.069 7.781 ( 3.516 -0.262 6.043) 6.997 7.896 ( 2.899 1.594 -1.132) 3.497 7.978 ( 6.008 -0.750 1.851) 6.331 8.136 ( 5.172 -0.953 -6.425) 8.304 8.365 ( 2.118 -5.557 1.613) 6.162 8.463 ( 1.395 -4.816 -5.503) 7.444 8.832 ( 0.679 2.070 4.349) 4.864 8.890 ( 0.308 0.722 -1.052) 1.312 9.157 ( -5.474 2.729 4.988) 7.893 9.255 ( -5.589 2.679 -4.538) 7.682 9.579 ( 4.375 -3.280 -0.466) 5.488 9.591 ( 5.150 -2.743 -1.824) 6.113 9.996 ( -5.634 -9.797 4.907) 12.321 10.082 ( -4.891 -11.186 -3.697) 12.756 10.775 ( 14.937 0.891 3.786) 15.435 10.833 ( 14.327 0.155 -1.501) 14.407 11.564 ( -1.901 5.965 3.500) 7.172 11.636 ( -2.799 4.446 -2.911) 6.006 11.829 ( -0.580 -0.617 1.102) 1.390 11.897 ( -1.925 -2.502 -4.572) 5.556 12.374 ( -18.523 -1.983 3.330) 18.924 12.416 ( -19.125 -2.333 -0.660) 19.278 15.946 ( 12.966 4.524 1.135) 13.780 15.974 ( 12.965 3.687 -1.234) 13.535 16.472 ( -0.449 7.822 2.337) 8.176 16.536 ( -1.460 6.770 -3.372) 7.703 17.369 ( 1.367 1.705 0.709) 2.297 17.404 ( 0.285 0.892 -2.468) 2.639 17.663 ( -2.530 -5.287 2.000) 6.193 17.698 ( -3.975 -6.565 -1.493) 7.818 18.240 ( 10.360 8.256 9.375) 16.228 18.432 ( 8.172 7.450 -9.412) 14.522 19.387 ( -0.438 -8.914 6.254) 10.898 19.496 ( -1.205 -8.020 -4.358) 9.207 19.859 ( -2.810 -3.286 1.846) 4.701 19.890 ( -1.301 -4.826 -0.849) 5.070 20.194 ( -5.491 -0.452 0.152) 5.512 20.207 ( -4.139 -0.769 -1.045) 4.337 ======================= Grid point 148 (55/60) ======================= q-point: ( 0.44 0.29 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.009 ( 5.909 15.983 2.001) 17.157 2.066 ( 0.492 16.277 -2.824) 16.527 2.227 ( 1.554 2.450 0.325) 2.919 2.264 ( -1.335 2.500 -2.689) 3.907 2.418 ( 6.534 2.098 3.146) 7.549 2.471 ( 5.550 1.291 -1.022) 5.790 2.529 ( -1.834 0.386 2.983) 3.522 2.570 ( -3.670 1.424 0.366) 3.953 2.670 ( 1.828 6.169 1.295) 6.563 2.703 ( 1.309 6.767 -0.188) 6.895 2.821 ( 1.548 2.287 -2.918) 4.018 2.854 ( -1.817 2.312 -4.338) 5.240 3.024 ( 0.045 4.125 5.668) 7.010 3.089 ( -5.634 4.036 4.983) 8.536 3.205 ( -1.610 4.308 -8.047) 9.268 3.245 ( -5.001 2.716 -7.270) 9.233 3.657 ( 5.699 -0.854 3.429) 6.706 3.726 ( -1.091 -0.942 -2.679) 3.042 3.889 ( 5.798 -1.099 3.071) 6.653 3.967 ( 2.387 -5.370 -1.868) 6.167 4.040 ( -1.534 6.849 -0.209) 7.022 4.122 ( -4.329 3.452 -5.568) 7.852 4.489 ( 5.443 -3.908 4.586) 8.120 4.562 ( -0.398 -3.744 -2.015) 4.270 4.925 ( 1.712 2.707 -0.623) 3.263 4.948 ( -0.439 2.341 -2.657) 3.569 5.142 ( 5.450 -7.394 0.905) 9.230 5.178 ( 2.291 -8.195 -2.453) 8.856 5.463 ( 0.993 3.138 0.490) 3.327 5.483 ( -1.473 3.469 -1.215) 3.960 5.614 ( 2.601 -1.793 4.358) 5.383 5.672 ( -3.814 0.758 3.626) 5.317 5.716 ( 2.980 -3.337 -3.439) 5.643 5.758 ( -1.769 -0.874 -3.252) 3.804 5.994 ( 3.141 -4.166 3.038) 6.037 6.034 ( 0.335 -4.057 -0.715) 4.134 6.181 ( 0.743 2.126 3.157) 3.878 6.232 ( -3.741 1.524 -1.476) 4.300 6.608 ( 4.288 -7.015 0.777) 8.259 6.651 ( -0.601 -6.756 -3.204) 7.501 6.983 ( 8.947 8.820 12.782) 17.923 7.085 ( 0.628 7.437 7.049) 10.266 7.344 ( 6.670 2.777 -0.894) 7.280 7.412 ( 1.583 3.289 -4.605) 5.876 7.550 ( 7.848 7.223 -0.188) 10.667 7.586 ( 8.655 6.094 -3.550) 11.165 7.805 ( -0.471 2.076 1.661) 2.700 7.878 ( -4.621 2.504 -4.415) 6.864 8.100 ( 6.674 -1.316 5.450) 8.716 8.190 ( -1.172 -2.578 1.091) 3.035 8.416 ( 3.278 -7.517 -4.128) 9.181 8.468 ( -1.247 -7.017 -5.980) 9.303 8.889 ( 5.297 3.288 4.038) 7.428 8.937 ( 4.832 2.736 -0.400) 5.567 9.033 ( -6.544 3.248 3.315) 8.022 9.107 ( -9.125 3.484 -3.554) 10.394 9.673 ( 5.947 -5.490 1.528) 8.237 9.715 ( 5.000 -4.219 -2.403) 6.969 9.886 ( -3.863 -8.620 3.223) 9.981 9.956 ( -7.678 -8.908 -3.568) 12.290 11.050 ( 11.881 4.392 4.197) 13.343 11.086 ( 9.441 4.697 1.130) 10.606 11.513 ( -3.016 1.683 0.701) 3.524 11.550 ( -5.861 1.408 -2.721) 6.614 11.836 ( 1.804 -0.939 4.298) 4.755 11.880 ( -1.002 -2.285 0.772) 2.612 12.096 ( -7.905 -3.383 -1.844) 8.793 12.129 ( -9.678 -3.361 -4.196) 11.071 16.156 ( 7.879 8.180 0.126) 11.358 16.177 ( 6.563 8.028 -1.856) 10.534 16.449 ( -1.041 4.872 2.727) 5.680 16.483 ( -3.701 4.428 -0.422) 5.787 17.411 ( 2.548 -0.763 -1.257) 2.942 17.422 ( 1.303 -0.362 -2.079) 2.480 17.591 ( -3.236 -5.813 0.825) 6.704 17.606 ( -4.403 -6.418 -0.705) 7.816 18.456 ( 10.205 9.824 5.869) 15.333 18.548 ( 1.728 10.034 -2.911) 10.590 19.334 ( -1.848 -9.836 1.586) 10.133 19.391 ( -6.878 -8.884 -3.831) 11.870 19.899 ( 5.287 -2.248 3.554) 6.755 19.941 ( 3.396 -3.204 0.094) 4.670 20.087 ( -4.296 -1.649 0.045) 4.602 20.116 ( -5.044 -2.126 -2.193) 5.897 ======================= Grid point 153 (56/60) ======================= q-point: ( 0.00 0.43 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.669 ( 0.000 13.670 12.627) 18.610 1.694 ( 0.000 14.002 9.422) 16.877 1.954 ( 0.000 3.750 -5.176) 6.391 1.989 ( 0.000 -0.839 -3.085) 3.197 2.022 ( 0.000 -3.554 -0.758) 3.634 2.083 ( 0.000 -3.736 -7.792) 8.642 2.163 ( 0.000 -5.469 -3.208) 6.340 2.247 ( 0.000 -8.653 -8.860) 12.385 2.672 ( 0.000 1.160 2.429) 2.692 2.697 ( 0.000 -1.403 0.037) 1.403 3.064 ( 0.000 6.389 2.412) 6.829 3.084 ( 0.000 3.635 0.164) 3.638 3.234 ( 0.000 2.308 1.425) 2.712 3.252 ( 0.000 7.788 1.741) 7.980 3.337 ( 0.000 -3.154 4.896) 5.824 3.458 ( 0.000 -6.949 -4.193) 8.116 3.521 ( 0.000 4.226 0.661) 4.277 3.577 ( 0.000 6.128 -1.231) 6.251 3.669 ( 0.000 -1.124 4.747) 4.879 3.755 ( 0.000 -2.425 -2.744) 3.662 4.090 ( 0.000 11.739 4.138) 12.447 4.199 ( 0.000 4.491 -4.089) 6.074 4.488 ( 0.000 2.348 9.998) 10.270 4.570 ( 0.000 -2.917 5.218) 5.978 4.643 ( 0.000 5.477 5.024) 7.433 4.750 ( 0.000 -2.379 -1.529) 2.828 4.901 ( 0.000 3.318 1.693) 3.725 4.967 ( 0.000 0.702 -0.957) 1.187 5.014 ( 0.000 -7.482 -3.073) 8.089 5.092 ( 0.000 -5.286 -7.865) 9.476 5.230 ( 0.000 -0.770 -3.698) 3.778 5.271 ( 0.000 -2.270 -4.121) 4.705 5.514 ( 0.000 -0.713 6.391) 6.431 5.585 ( 0.000 -6.026 2.563) 6.549 5.921 ( 0.000 5.355 1.882) 5.676 5.958 ( 0.000 1.059 -5.298) 5.403 6.061 ( 0.000 1.090 4.306) 4.442 6.164 ( 0.000 -6.542 5.337) 8.443 6.199 ( 0.000 0.567 -5.885) 5.912 6.285 ( 0.000 -5.223 -6.089) 8.022 6.378 ( 0.000 0.119 1.394) 1.399 6.392 ( 0.000 -1.629 0.848) 1.836 6.681 ( 0.000 8.598 5.837) 10.392 6.812 ( 0.000 -2.964 -3.363) 4.482 7.169 ( 0.000 5.418 -3.389) 6.391 7.263 ( 0.000 -2.628 -8.239) 8.648 7.484 ( 0.000 -3.288 2.008) 3.853 7.524 ( 0.000 -6.936 -2.394) 7.338 7.873 ( 0.000 1.916 2.005) 2.773 7.894 ( 0.000 -0.066 0.015) 0.067 8.488 ( 0.000 4.371 2.258) 4.920 8.528 ( 0.000 0.766 -0.984) 1.247 9.000 ( 0.000 2.432 0.704) 2.532 9.005 ( 0.000 2.055 0.131) 2.060 9.089 ( 0.000 4.256 5.215) 6.731 9.153 ( 0.000 1.050 0.846) 1.348 9.392 ( 0.000 -1.416 -0.341) 1.456 9.484 ( 0.000 -7.087 -7.248) 10.137 9.945 ( 0.000 -5.545 1.395) 5.718 9.985 ( 0.000 -9.300 -2.077) 9.529 10.203 ( 0.000 0.266 -0.017) 0.266 10.215 ( 0.000 -0.978 -1.258) 1.594 11.868 ( 0.000 6.027 -1.536) 6.220 11.881 ( 0.000 6.181 -2.335) 6.608 11.961 ( 0.000 0.052 0.309) 0.313 12.020 ( 0.000 -3.451 -4.493) 5.666 13.122 ( 0.000 -0.090 7.331) 7.331 13.166 ( 0.000 -4.477 3.361) 5.598 15.434 ( 0.000 0.785 0.117) 0.793 15.440 ( 0.000 0.200 -0.443) 0.486 16.563 ( 0.000 4.799 2.735) 5.524 16.620 ( 0.000 -0.693 -2.775) 2.860 17.231 ( 0.000 2.584 2.078) 3.316 17.272 ( 0.000 -1.276 -1.784) 2.193 17.802 ( 0.000 0.552 -0.019) 0.553 17.806 ( 0.000 0.237 -0.431) 0.492 18.246 ( 0.000 10.006 3.768) 10.692 18.318 ( 0.000 4.785 -2.890) 5.590 18.929 ( 0.000 -7.304 3.021) 7.904 18.985 ( 0.000 -10.788 -2.437) 11.060 20.140 ( 0.000 -0.015 1.501) 1.501 20.163 ( 0.000 -2.176 -0.471) 2.226 20.322 ( 0.000 0.893 0.823) 1.214 20.348 ( 0.000 -1.636 -1.475) 2.203 ======================= Grid point 154 (57/60) ======================= q-point: ( 0.11 0.43 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.769 ( 8.387 15.827 8.716) 19.920 1.838 ( 13.150 11.113 9.946) 19.883 1.990 ( 4.253 6.704 -3.911) 8.850 2.058 ( 4.673 -4.004 -1.804) 6.413 2.078 ( 6.945 -6.488 1.518) 9.625 2.161 ( 6.020 -2.397 -7.226) 9.706 2.220 ( 7.249 -4.339 -4.470) 9.558 2.304 ( 5.533 -6.487 -9.028) 12.418 2.663 ( -0.403 0.866 2.072) 2.282 2.687 ( -0.544 -1.588 -0.206) 1.691 3.014 ( -4.468 5.220 1.173) 6.970 3.041 ( -4.129 2.871 -0.907) 5.111 3.246 ( 0.329 5.693 4.980) 7.571 3.293 ( 3.035 6.694 0.862) 7.400 3.356 ( 1.790 -4.879 3.172) 6.089 3.447 ( -0.707 -5.869 -2.810) 6.545 3.528 ( 0.557 5.271 1.070) 5.408 3.585 ( 0.871 5.390 -1.374) 5.630 3.677 ( 0.974 -0.717 3.029) 3.261 3.752 ( -0.314 -2.767 -2.897) 4.018 4.093 ( 0.623 11.081 4.175) 11.858 4.204 ( 1.117 3.030 -4.459) 5.505 4.472 ( -0.892 2.977 9.670) 10.157 4.555 ( -0.534 -3.229 4.673) 5.705 4.739 ( 6.408 3.009 1.699) 7.280 4.774 ( 1.480 -0.409 -2.952) 3.327 4.925 ( -0.082 0.640 -0.835) 1.055 4.960 ( 1.009 -2.556 -3.947) 4.810 5.095 ( 9.020 -2.033 2.963) 9.710 5.168 ( 7.525 -5.933 -1.574) 9.711 5.263 ( 4.464 1.728 -4.552) 6.606 5.335 ( 5.915 -3.778 -6.866) 9.819 5.573 ( 6.135 0.873 7.709) 9.891 5.650 ( 5.778 -5.380 2.143) 8.180 5.899 ( -1.707 2.963 1.703) 3.820 5.932 ( -1.405 0.180 -3.381) 3.665 6.101 ( -3.408 -1.232 3.102) 4.770 6.119 ( 2.839 -2.170 1.251) 3.786 6.248 ( 3.362 0.092 -0.714) 3.438 6.317 ( 5.507 -4.897 -5.193) 9.015 6.532 ( 13.487 0.602 1.441) 13.577 6.539 ( 13.290 -0.477 0.454) 13.306 6.720 ( 4.712 7.441 5.215) 10.236 6.840 ( 3.257 -3.377 -3.051) 5.597 7.197 ( 2.541 5.575 -3.076) 6.855 7.278 ( 2.226 -1.736 -7.579) 8.087 7.523 ( 4.325 -2.449 2.109) 5.399 7.571 ( 5.266 -6.541 -2.911) 8.888 7.916 ( 3.716 2.347 3.160) 5.413 7.948 ( 4.874 -0.749 0.098) 4.933 8.416 ( -5.951 2.839 0.838) 6.647 8.446 ( -6.545 0.312 -1.441) 6.709 8.969 ( -2.336 3.181 1.937) 4.396 8.988 ( -2.064 2.153 0.169) 2.987 9.203 ( 8.707 3.779 3.503) 10.117 9.251 ( 8.897 1.828 0.974) 9.135 9.370 ( -1.872 -1.691 -0.633) 2.601 9.463 ( -1.541 -6.840 -7.085) 9.968 9.931 ( -1.532 -5.265 1.675) 5.734 9.966 ( -1.765 -8.356 -1.561) 8.682 10.288 ( 8.410 -0.137 0.506) 8.426 10.304 ( 8.759 -1.651 -0.987) 8.967 11.839 ( -2.985 6.307 -1.244) 7.088 11.854 ( -2.643 5.889 -2.560) 6.944 11.927 ( -3.300 -0.425 0.396) 3.351 11.984 ( -3.458 -3.706 -4.345) 6.677 13.010 ( -11.321 -0.023 6.593) 13.101 13.047 ( -11.929 -3.681 3.236) 12.897 15.516 ( 8.389 1.043 0.368) 8.462 15.525 ( 8.537 0.191 -0.447) 8.551 16.572 ( 0.896 4.607 1.860) 5.049 16.622 ( 0.305 -0.155 -3.007) 3.026 17.296 ( 5.979 2.559 2.146) 6.849 17.334 ( 5.668 -1.096 -1.583) 5.986 17.743 ( -5.608 1.072 0.763) 5.761 17.757 ( -4.335 -0.233 -0.555) 4.377 18.245 ( -0.045 8.506 4.176) 9.476 18.327 ( 0.960 2.336 -3.489) 4.307 18.999 ( 6.859 -5.528 3.125) 9.347 19.059 ( 7.212 -9.596 -2.656) 12.294 20.083 ( -5.845 -0.412 1.388) 6.021 20.101 ( -6.227 -2.160 -0.213) 6.595 20.311 ( -1.213 0.872 0.466) 1.565 20.332 ( -1.710 -1.174 -1.389) 2.497 ======================= Grid point 155 (58/60) ======================= q-point: ( 0.22 0.43 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.944 ( 9.345 13.720 6.397) 17.790 2.061 ( 8.078 6.535 -0.813) 10.423 2.107 ( 7.974 5.194 1.808) 9.686 2.182 ( 7.136 -0.758 0.867) 7.229 2.225 ( 7.831 -3.637 2.829) 9.086 2.295 ( 8.483 -4.219 -0.245) 9.477 2.374 ( 5.786 0.673 -6.387) 8.644 2.444 ( 7.853 -4.378 -9.643) 13.184 2.682 ( 3.019 1.075 2.027) 3.792 2.705 ( 3.059 -1.084 -0.154) 3.249 2.918 ( -5.175 3.710 -0.358) 6.378 2.948 ( -4.930 1.066 -2.874) 5.805 3.237 ( -1.158 6.635 6.082) 9.075 3.319 ( -0.239 3.349 -0.415) 3.383 3.374 ( -0.632 -2.208 2.249) 3.214 3.424 ( -2.236 -2.346 -1.313) 3.497 3.540 ( 0.314 5.578 2.257) 6.025 3.617 ( 2.587 0.586 -2.592) 3.709 3.709 ( 2.351 0.383 1.975) 3.094 3.755 ( 0.984 -2.778 -1.686) 3.395 4.125 ( 2.781 9.920 4.512) 11.247 4.243 ( 2.348 0.739 -5.220) 5.771 4.471 ( 0.735 3.707 5.638) 6.788 4.541 ( -1.617 -2.049 0.489) 2.656 4.801 ( 2.248 -0.668 -1.327) 2.694 4.828 ( 3.191 -1.362 -2.723) 4.410 4.928 ( 0.797 -1.780 -1.566) 2.501 4.966 ( -0.043 -4.947 -5.236) 7.204 5.288 ( 8.395 1.046 5.244) 9.954 5.332 ( 9.082 -2.266 4.500) 10.386 5.424 ( 10.234 1.466 -4.825) 11.409 5.472 ( 7.554 -2.607 -5.112) 9.486 5.728 ( 9.003 0.729 6.284) 11.003 5.757 ( 4.069 -1.970 3.227) 5.555 5.862 ( -1.861 1.920 1.062) 2.877 5.918 ( 0.002 -0.001 -3.594) 3.594 6.075 ( 1.671 -1.210 3.903) 4.414 6.157 ( 3.284 -5.707 -1.478) 6.748 6.343 ( 4.518 1.938 0.354) 4.929 6.426 ( 4.354 -5.600 -5.596) 9.036 6.776 ( 10.440 4.013 7.084) 13.239 6.827 ( 14.620 1.507 6.124) 15.922 6.925 ( 17.065 3.390 -2.060) 17.520 6.974 ( 11.852 -1.390 -4.076) 12.610 7.269 ( 5.855 6.081 0.790) 8.479 7.365 ( 6.831 -2.259 -6.417) 9.640 7.651 ( 8.471 -0.230 1.992) 8.705 7.718 ( 9.321 -5.758 -4.141) 11.712 7.977 ( 2.065 4.581 6.304) 8.062 8.044 ( 4.380 -1.570 0.937) 4.746 8.315 ( -3.930 0.339 -2.268) 4.550 8.351 ( -2.432 -2.850 -4.385) 5.767 8.921 ( -2.400 3.211 2.065) 4.510 8.942 ( -2.238 1.617 0.097) 2.763 9.276 ( -2.387 2.179 1.134) 3.425 9.321 ( -1.852 -1.648 -2.621) 3.607 9.457 ( 9.607 2.129 0.453) 9.851 9.494 ( 5.707 -1.189 -2.876) 6.500 9.884 ( -3.464 -6.013 2.500) 7.376 9.919 ( -3.158 -8.707 -1.013) 9.318 10.503 ( 13.685 0.377 1.684) 13.793 10.526 ( 13.972 -1.801 -0.392) 14.093 11.766 ( -4.283 6.572 -0.321) 7.851 11.791 ( -3.725 4.469 -2.821) 6.466 11.856 ( -3.509 -1.052 0.116) 3.665 11.904 ( -4.498 -4.074 -3.770) 7.145 12.719 ( -18.308 0.027 4.872) 18.945 12.744 ( -18.827 -2.370 2.551) 19.146 15.736 ( 14.040 1.577 0.673) 14.144 15.746 ( 14.015 0.614 -0.210) 14.030 16.593 ( 1.012 4.293 0.596) 4.450 16.632 ( 0.458 0.745 -3.127) 3.247 17.408 ( 4.136 3.049 1.298) 5.300 17.434 ( 3.374 0.951 -1.213) 3.710 17.632 ( -5.147 -0.659 2.012) 5.566 17.663 ( -5.032 -3.121 -1.071) 6.018 18.270 ( 3.881 7.967 5.368) 10.361 18.373 ( 4.726 -0.497 -4.439) 6.503 19.156 ( 8.262 -3.006 3.510) 9.466 19.224 ( 8.694 -8.181 -3.019) 12.313 19.936 ( -8.572 -0.902 1.012) 8.679 19.947 ( -8.943 -1.945 0.030) 9.152 20.272 ( -3.004 0.449 -0.134) 3.040 20.281 ( -3.639 -0.448 -0.974) 3.794 ======================= Grid point 156 (59/60) ======================= q-point: ( 0.33 0.43 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.108 ( 7.514 8.370 3.658) 11.828 2.179 ( 5.014 2.029 -2.435) 5.932 2.258 ( 6.332 3.466 2.344) 7.590 2.282 ( 3.790 2.869 0.517) 4.781 2.371 ( 5.999 1.525 2.438) 6.653 2.427 ( 3.931 0.074 -1.212) 4.114 2.461 ( 5.306 0.139 -2.425) 5.835 2.539 ( 2.758 -4.099 -5.779) 7.603 2.766 ( 3.478 4.434 1.483) 5.827 2.782 ( 4.192 2.829 0.168) 5.060 2.836 ( -2.388 2.722 -1.398) 3.881 2.884 ( -1.328 -1.281 -4.745) 5.091 3.200 ( -2.831 6.594 6.393) 9.611 3.286 ( -3.313 2.007 2.567) 4.647 3.339 ( -3.009 0.665 -1.992) 3.669 3.360 ( -4.082 -0.538 -0.731) 4.182 3.561 ( 3.045 4.309 2.399) 5.796 3.674 ( 3.193 -4.131 -6.166) 8.079 3.755 ( 2.215 -0.737 2.422) 3.364 3.785 ( 1.757 -3.165 -0.206) 3.626 4.190 ( 3.444 7.138 2.737) 8.385 4.266 ( -0.021 1.938 -3.435) 3.944 4.451 ( -4.211 1.827 0.852) 4.668 4.505 ( -1.238 -1.563 -3.959) 4.433 4.866 ( 4.164 -1.272 1.080) 4.486 4.894 ( 3.649 -2.808 -1.214) 4.762 4.956 ( 2.149 -2.958 -1.694) 4.029 4.982 ( 2.036 -5.390 -4.083) 7.062 5.427 ( 6.465 1.751 4.739) 8.205 5.474 ( 5.567 -2.205 2.329) 6.424 5.558 ( 3.443 1.416 -2.415) 4.438 5.591 ( 4.395 -1.449 -3.303) 5.686 5.774 ( -0.774 3.463 4.772) 5.947 5.826 ( 0.839 3.034 2.407) 3.963 5.866 ( 1.686 -1.933 0.681) 2.654 5.939 ( 1.436 -2.788 -3.962) 5.053 6.172 ( 6.684 2.702 4.418) 8.455 6.261 ( 5.963 -2.221 -2.591) 6.871 6.388 ( 1.150 -1.903 0.880) 2.391 6.474 ( 1.219 -7.926 -6.794) 10.510 6.974 ( 10.563 7.402 11.779) 17.467 7.085 ( 12.115 -0.696 10.001) 15.725 7.186 ( 10.236 4.804 -3.631) 11.876 7.271 ( 14.325 -0.594 -5.326) 15.295 7.450 ( 12.735 5.559 3.677) 14.374 7.532 ( 10.268 -1.336 -2.548) 10.664 7.802 ( 6.084 2.792 1.601) 6.883 7.882 ( 6.329 -3.942 -5.184) 9.081 8.009 ( 2.386 4.857 7.220) 9.023 8.104 ( 2.278 -2.854 1.902) 4.117 8.276 ( -0.506 -1.584 -6.200) 6.419 8.335 ( -0.510 -6.247 -7.600) 9.851 8.898 ( 0.681 3.288 2.524) 4.201 8.922 ( 0.780 1.279 0.281) 1.524 9.206 ( -4.323 2.122 0.458) 4.838 9.259 ( -4.193 -2.344 -4.397) 6.512 9.578 ( 2.585 3.792 2.134) 5.062 9.612 ( 5.421 3.463 -1.334) 6.569 9.798 ( -5.201 -7.556 3.595) 9.852 9.854 ( -3.404 -10.138 -2.096) 10.898 10.800 ( 17.210 1.431 2.724) 17.483 10.826 ( 17.233 -0.906 0.422) 17.262 11.678 ( -5.589 4.662 0.100) 7.279 11.710 ( -5.367 2.054 -2.843) 6.411 11.812 ( -0.871 -0.722 -0.061) 1.133 11.837 ( -1.353 -2.972 -2.238) 3.959 12.349 ( -19.338 -0.198 2.890) 19.554 12.368 ( -19.353 -1.955 0.962) 19.475 16.025 ( 15.522 2.588 0.847) 15.759 16.035 ( 15.610 1.639 0.012) 15.696 16.594 ( -1.428 3.934 0.201) 4.190 16.623 ( -1.924 1.376 -2.435) 3.395 17.424 ( -1.424 3.835 0.879) 4.184 17.451 ( -0.744 3.018 -1.534) 3.466 17.554 ( -4.035 -5.005 0.826) 6.481 17.571 ( -4.439 -5.321 -0.786) 6.974 18.422 ( 11.826 8.767 5.831) 15.834 18.527 ( 11.211 0.141 -4.258) 11.993 19.241 ( -1.550 -2.716 3.792) 4.916 19.315 ( -1.508 -8.311 -3.302) 9.070 19.819 ( -1.721 -0.689 0.936) 2.077 19.828 ( -1.010 -1.537 0.207) 1.850 20.189 ( -5.760 0.047 -0.415) 5.775 20.195 ( -5.282 -0.452 -0.901) 5.377 ======================= Grid point 157 (60/60) ======================= q-point: ( 0.44 0.43 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.224 ( 4.510 4.809 1.869) 6.852 2.254 ( 2.447 1.603 -0.047) 2.926 2.300 ( -0.285 3.622 -0.999) 3.768 2.319 ( -0.778 1.553 -1.880) 2.560 2.466 ( 4.268 3.096 0.868) 5.344 2.489 ( 2.756 1.038 0.040) 2.945 2.533 ( 1.218 0.483 -0.533) 1.414 2.562 ( -0.793 -1.558 -2.052) 2.696 2.804 ( 2.468 5.669 0.653) 6.217 2.826 ( 1.544 4.401 0.431) 4.684 2.862 ( 1.517 0.944 -3.252) 3.711 2.879 ( -0.155 -0.227 -3.296) 3.307 3.155 ( -0.371 7.539 7.489) 10.633 3.207 ( -4.647 5.389 5.620) 9.068 3.272 ( -1.914 0.803 -1.512) 2.568 3.290 ( -3.128 0.141 -1.818) 3.621 3.646 ( 4.624 2.282 -0.645) 5.197 3.704 ( -0.929 0.492 -4.124) 4.256 3.800 ( 2.239 -8.174 -1.644) 8.634 3.812 ( 0.888 -6.553 -1.747) 6.840 4.223 ( 0.644 8.719 -0.447) 8.754 4.257 ( -1.824 8.618 -4.037) 9.690 4.395 ( 0.890 -5.099 2.645) 5.812 4.457 ( -3.811 -6.970 -3.558) 8.704 4.931 ( 2.167 -0.771 1.826) 2.937 4.943 ( 1.060 -1.633 0.867) 2.132 5.011 ( 2.759 -3.796 -2.157) 5.165 5.025 ( 1.432 -5.106 -3.449) 6.326 5.519 ( 3.101 2.103 2.962) 4.776 5.550 ( 0.900 0.273 2.101) 2.302 5.588 ( 2.112 0.611 0.321) 2.222 5.630 ( -0.496 -2.688 -0.528) 2.784 5.776 ( 1.473 6.332 0.261) 6.506 5.820 ( -1.817 5.907 -2.646) 6.723 5.899 ( 2.520 -4.981 2.028) 5.939 5.942 ( -1.252 -5.026 -1.695) 5.450 6.261 ( 2.988 6.168 1.758) 7.076 6.304 ( -1.194 5.717 -2.184) 6.235 6.437 ( 3.349 -8.990 -0.104) 9.594 6.479 ( -0.924 -9.362 -4.287) 10.338 7.165 ( 8.501 8.155 13.291) 17.760 7.240 ( 2.252 4.586 11.107) 12.225 7.343 ( 6.575 -0.204 2.551) 7.056 7.413 ( 0.650 -3.078 -0.558) 3.195 7.688 ( 10.468 6.030 0.963) 12.119 7.736 ( 9.338 3.836 -2.783) 10.471 7.845 ( -1.442 2.796 0.515) 3.188 7.904 ( -3.668 -0.744 -3.199) 4.924 8.094 ( 5.329 1.914 1.448) 5.844 8.142 ( 1.035 -1.562 0.747) 2.017 8.270 ( -0.164 -5.309 -7.774) 9.415 8.301 ( -2.837 -7.739 -7.470) 11.124 8.964 ( 5.927 3.429 2.677) 7.353 8.991 ( 6.117 1.300 0.429) 6.268 9.107 ( -5.948 3.609 0.282) 6.963 9.151 ( -7.239 0.040 -3.536) 8.056 9.609 ( 2.080 0.220 4.450) 4.916 9.661 ( -1.551 -1.859 1.873) 3.061 9.729 ( 0.399 -4.357 -0.678) 4.427 9.786 ( -3.836 -7.076 -3.778) 8.891 11.134 ( 16.156 3.374 5.000) 17.246 11.158 ( 15.525 1.554 3.265) 15.941 11.524 ( -9.919 0.551 -2.464) 10.235 11.553 ( -11.003 -1.513 -4.678) 12.052 11.838 ( 3.726 1.437 2.612) 4.772 11.864 ( 3.007 -0.373 0.361) 3.052 12.038 ( -11.170 -1.445 -0.045) 11.263 12.059 ( -11.536 -3.009 -1.882) 12.069 16.299 ( 12.230 4.819 0.739) 13.165 16.312 ( 12.211 3.878 -0.297) 12.816 16.521 ( -6.144 2.198 0.633) 6.556 16.540 ( -6.842 0.734 -0.947) 6.946 17.409 ( 0.580 1.238 0.244) 1.388 17.436 ( -0.909 1.586 -2.289) 2.929 17.476 ( -2.418 -4.845 0.770) 5.470 17.497 ( -3.240 -4.108 -1.245) 5.378 18.680 ( 13.236 11.159 4.789) 17.963 18.751 ( 9.070 7.483 -1.850) 11.904 19.111 ( -7.789 -8.795 2.185) 11.950 19.170 ( -10.680 -11.224 -3.215) 15.823 19.885 ( 6.533 0.465 2.399) 6.975 19.903 ( 6.197 -1.098 1.059) 6.382 20.065 ( -6.550 -0.314 -1.135) 6.655 20.078 ( -6.561 -1.469 -2.094) 7.042 =================== 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 3/26460 10.0 1129.718 1076.251 1157.099 0.000 0.000 0.000 3/26460 20.0 231.976 211.790 235.533 0.000 0.000 0.000 3/26460 30.0 86.047 81.803 85.396 0.000 0.000 0.000 3/26460 40.0 43.951 42.158 43.280 0.000 0.000 0.000 3/26460 50.0 27.226 26.049 26.621 0.000 0.000 0.000 3/26460 60.0 19.052 18.105 18.483 0.000 0.000 0.000 3/26460 70.0 14.448 13.619 13.900 0.000 0.000 0.000 3/26460 80.0 11.579 10.824 11.046 0.000 0.000 0.000 3/26460 90.0 9.650 8.950 9.131 0.000 0.000 0.000 3/26460 100.0 8.276 7.621 7.771 0.000 0.000 0.000 3/26460 110.0 7.252 6.635 6.761 0.000 0.000 0.000 3/26460 120.0 6.461 5.878 5.983 0.000 0.000 0.000 3/26460 130.0 5.833 5.280 5.368 0.000 0.000 0.000 3/26460 140.0 5.321 4.795 4.868 0.000 0.000 0.000 3/26460 150.0 4.896 4.395 4.456 0.000 0.000 0.000 3/26460 160.0 4.537 4.059 4.109 0.000 0.000 0.000 3/26460 170.0 4.230 3.773 3.814 0.000 0.000 0.000 3/26460 180.0 3.963 3.526 3.559 0.000 0.000 0.000 3/26460 190.0 3.730 3.311 3.337 0.000 0.000 0.000 3/26460 200.0 3.525 3.122 3.141 0.000 0.000 0.000 3/26460 210.0 3.341 2.954 2.968 0.000 0.000 0.000 3/26460 220.0 3.177 2.804 2.814 0.000 0.000 0.000 3/26460 230.0 3.029 2.669 2.675 0.000 0.000 0.000 3/26460 240.0 2.894 2.548 2.549 0.000 0.000 0.000 3/26460 250.0 2.772 2.437 2.436 0.000 0.000 0.000 3/26460 260.0 2.659 2.336 2.332 0.000 0.000 0.000 3/26460 270.0 2.556 2.243 2.237 0.000 0.000 0.000 3/26460 280.0 2.461 2.158 2.149 0.000 0.000 0.000 3/26460 290.0 2.372 2.079 2.068 0.000 0.000 0.000 3/26460 300.0 2.290 2.006 1.994 0.000 0.000 0.000 3/26460 310.0 2.214 1.938 1.924 0.000 0.000 0.000 3/26460 320.0 2.143 1.874 1.860 0.000 0.000 0.000 3/26460 330.0 2.076 1.815 1.799 0.000 0.000 0.000 3/26460 340.0 2.013 1.759 1.743 0.000 0.000 0.000 3/26460 350.0 1.955 1.707 1.690 0.000 0.000 0.000 3/26460 360.0 1.899 1.658 1.640 0.000 0.000 0.000 3/26460 370.0 1.847 1.612 1.593 0.000 0.000 0.000 3/26460 380.0 1.797 1.568 1.549 0.000 0.000 0.000 3/26460 390.0 1.750 1.527 1.507 0.000 0.000 0.000 3/26460 400.0 1.706 1.487 1.468 0.000 0.000 0.000 3/26460 410.0 1.664 1.450 1.430 0.000 0.000 0.000 3/26460 420.0 1.623 1.415 1.395 0.000 0.000 0.000 3/26460 430.0 1.585 1.381 1.361 0.000 0.000 0.000 3/26460 440.0 1.549 1.349 1.329 0.000 0.000 0.000 3/26460 450.0 1.514 1.319 1.298 0.000 0.000 0.000 3/26460 460.0 1.481 1.289 1.269 0.000 0.000 0.000 3/26460 470.0 1.449 1.262 1.241 0.000 0.000 0.000 3/26460 480.0 1.418 1.235 1.214 0.000 0.000 0.000 3/26460 490.0 1.389 1.209 1.188 0.000 0.000 0.000 3/26460 500.0 1.361 1.185 1.164 0.000 0.000 0.000 3/26460 510.0 1.334 1.161 1.140 0.000 0.000 0.000 3/26460 520.0 1.308 1.138 1.118 0.000 0.000 0.000 3/26460 530.0 1.283 1.117 1.096 0.000 0.000 0.000 3/26460 540.0 1.260 1.096 1.075 0.000 0.000 0.000 3/26460 550.0 1.236 1.076 1.055 0.000 0.000 0.000 3/26460 560.0 1.214 1.056 1.036 0.000 0.000 0.000 3/26460 570.0 1.193 1.037 1.017 0.000 0.000 0.000 3/26460 580.0 1.172 1.019 0.999 0.000 0.000 0.000 3/26460 590.0 1.152 1.002 0.982 0.000 0.000 0.000 3/26460 600.0 1.133 0.985 0.965 0.000 0.000 0.000 3/26460 610.0 1.114 0.969 0.949 0.000 0.000 0.000 3/26460 620.0 1.096 0.953 0.933 0.000 0.000 0.000 3/26460 630.0 1.079 0.938 0.918 0.000 0.000 0.000 3/26460 640.0 1.062 0.923 0.904 0.000 0.000 0.000 3/26460 650.0 1.045 0.909 0.889 0.000 0.000 0.000 3/26460 660.0 1.029 0.895 0.876 0.000 0.000 0.000 3/26460 670.0 1.014 0.881 0.862 0.000 0.000 0.000 3/26460 680.0 0.999 0.868 0.850 0.000 0.000 0.000 3/26460 690.0 0.985 0.856 0.837 0.000 0.000 0.000 3/26460 700.0 0.970 0.843 0.825 0.000 0.000 0.000 3/26460 710.0 0.957 0.831 0.813 0.000 0.000 0.000 3/26460 720.0 0.943 0.820 0.802 0.000 0.000 0.000 3/26460 730.0 0.930 0.808 0.790 0.000 0.000 0.000 3/26460 740.0 0.918 0.798 0.780 0.000 0.000 0.000 3/26460 750.0 0.906 0.787 0.769 0.000 0.000 0.000 3/26460 760.0 0.894 0.776 0.759 0.000 0.000 0.000 3/26460 770.0 0.882 0.766 0.749 0.000 0.000 0.000 3/26460 780.0 0.871 0.756 0.739 0.000 0.000 0.000 3/26460 790.0 0.860 0.747 0.730 0.000 0.000 0.000 3/26460 800.0 0.849 0.737 0.720 0.000 0.000 0.000 3/26460 810.0 0.838 0.728 0.711 0.000 0.000 0.000 3/26460 820.0 0.828 0.719 0.703 0.000 0.000 0.000 3/26460 830.0 0.818 0.711 0.694 0.000 0.000 0.000 3/26460 840.0 0.808 0.702 0.686 0.000 0.000 0.000 3/26460 850.0 0.799 0.694 0.678 0.000 0.000 0.000 3/26460 860.0 0.790 0.686 0.670 0.000 0.000 0.000 3/26460 870.0 0.780 0.678 0.662 0.000 0.000 0.000 3/26460 880.0 0.772 0.670 0.654 0.000 0.000 0.000 3/26460 890.0 0.763 0.663 0.647 0.000 0.000 0.000 3/26460 900.0 0.754 0.655 0.640 0.000 0.000 0.000 3/26460 910.0 0.746 0.648 0.632 0.000 0.000 0.000 3/26460 920.0 0.738 0.641 0.626 0.000 0.000 0.000 3/26460 930.0 0.730 0.634 0.619 0.000 0.000 0.000 3/26460 940.0 0.722 0.627 0.612 0.000 0.000 0.000 3/26460 950.0 0.715 0.621 0.606 0.000 0.000 0.000 3/26460 960.0 0.707 0.614 0.599 0.000 0.000 0.000 3/26460 970.0 0.700 0.608 0.593 0.000 0.000 0.000 3/26460 980.0 0.693 0.602 0.587 0.000 0.000 0.000 3/26460 990.0 0.686 0.595 0.581 0.000 0.000 0.000 3/26460 1000.0 0.679 0.589 0.575 0.000 0.000 0.000 3/26460 Thermal conductivity related properties were written into "kappa-m975.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 10:19:20]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|