----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 06:50:49]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [1 2 1] Primitive matrix: [ 0.5 0.5 -0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/c (15) Number of symmetry operations in supercell: 16 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.175577710339661 -3.623234040000000 0.000000000000000 b 5.175577710339661 3.623234040000000 0.000000000000000 c -5.090979368657174 0.000000000000000 9.552349194844050 Atomic positions (fractional): *1 Be 0.30955160995091 0.69044839004909 0.75000000000000 9.012 2 Be 0.69044839004909 0.30955160995091 0.25000000000000 9.012 *3 Be 0.26944165245398 0.73055834754602 0.25000000000000 9.012 4 Be 0.73055834754602 0.26944165245399 0.75000000000000 9.012 *5 Be 0.98086815287556 0.01913184712444 0.25000000000000 9.012 6 Be 0.01913184712444 0.98086815287556 0.75000000000000 9.012 *7 O 0.47945694163678 0.52054305836322 0.25000000000000 15.999 8 O 0.52054305836322 0.47945694163678 0.75000000000000 15.999 *9 O 0.77244233710864 0.12334152871812 0.12223173875797 15.999 10 O 0.87665847128188 0.22755766289136 0.37776826124203 15.999 11 O 0.22755766289136 0.87665847128188 0.87776826124203 15.999 12 O 0.12334152871812 0.77244233710864 0.62223173875797 15.999 *13 O 0.01221947394979 0.73347333091741 0.23291444354500 15.999 14 O 0.26652666908260 0.98778052605021 0.26708555645500 15.999 15 O 0.98778052605021 0.26652666908259 0.76708555645500 15.999 16 O 0.73347333091740 0.01221947394979 0.73291444354500 15.999 *17 K 0.77651872752016 0.55749994023055 0.59464068149028 39.098 18 K 0.44250005976945 0.22348127247984 0.90535931850972 39.098 19 K 0.22348127247984 0.44250005976945 0.40535931850972 39.098 20 K 0.55749994023055 0.77651872752016 0.09464068149028 39.098 *21 K 0.91043046154417 0.74641053341084 0.92391948011097 39.098 22 K 0.25358946658916 0.08956953845583 0.57608051988903 39.098 23 K 0.08956953845583 0.25358946658916 0.07608051988903 39.098 24 K 0.74641053341084 0.91043046154417 0.42391948011097 39.098 -------------------------------- unit cell --------------------------------- Lattice vectors: a 10.351155420679323 0.000000000000000 0.000000000000000 b 0.000000000000000 7.246468080000000 0.000000000000000 c -5.090979368657174 0.000000000000000 9.552349194844050 Atomic positions (fractional): *1 Be 0.50000000000000 0.19044839004909 0.75000000000000 9.012 > 1 2 Be 0.00000000000000 0.30955160995091 0.25000000000000 9.012 > 2 *3 Be 0.00000000000000 0.73055834754602 0.25000000000000 9.012 > 3 4 Be 0.50000000000000 0.76944165245398 0.75000000000000 9.012 > 4 *5 Be 0.50000000000000 0.51913184712444 0.25000000000000 9.012 > 5 6 Be 0.00000000000000 0.98086815287556 0.75000000000000 9.012 > 6 7 Be 0.00000000000000 0.69044839004909 0.75000000000000 9.012 > 1 8 Be 0.50000000000000 0.80955160995091 0.25000000000000 9.012 > 2 9 Be 0.50000000000000 0.23055834754602 0.25000000000000 9.012 > 3 10 Be 0.00000000000000 0.26944165245398 0.75000000000000 9.012 > 4 11 Be 0.00000000000000 0.01913184712444 0.25000000000000 9.012 > 5 12 Be 0.50000000000000 0.48086815287556 0.75000000000000 9.012 > 6 *13 O 0.00000000000000 0.52054305836322 0.25000000000000 15.999 > 7 14 O 0.50000000000000 0.97945694163678 0.75000000000000 15.999 > 8 *15 O 0.94789193291338 0.17544959580474 0.12223173875797 15.999 > 9 16 O 0.55210806708662 0.67544959580474 0.37776826124203 15.999 > 10 17 O 0.55210806708662 0.32455040419526 0.87776826124203 15.999 > 11 18 O 0.94789193291338 0.82455040419526 0.62223173875797 15.999 > 12 *19 O 0.87284640243360 0.86062692848381 0.23291444354500 15.999 > 13 20 O 0.12715359756641 0.86062692848381 0.26708555645500 15.999 > 14 21 O 0.62715359756640 0.63937307151619 0.76708555645500 15.999 > 15 22 O 0.37284640243360 0.63937307151619 0.73291444354500 15.999 > 16 23 O 0.50000000000000 0.02054305836323 0.25000000000000 15.999 > 7 24 O 0.00000000000000 0.47945694163677 0.75000000000000 15.999 > 8 25 O 0.44789193291338 0.67544959580474 0.12223173875797 15.999 > 9 26 O 0.05210806708662 0.17544959580474 0.37776826124203 15.999 > 10 27 O 0.05210806708662 0.82455040419526 0.87776826124203 15.999 > 11 28 O 0.44789193291338 0.32455040419526 0.62223173875797 15.999 > 12 29 O 0.37284640243360 0.36062692848381 0.23291444354500 15.999 > 13 30 O 0.62715359756640 0.36062692848381 0.26708555645500 15.999 > 14 31 O 0.12715359756641 0.13937307151619 0.76708555645500 15.999 > 15 32 O 0.87284640243360 0.13937307151619 0.73291444354500 15.999 > 16 *33 K 0.66700933387535 0.89049060635520 0.59464068149028 39.098 > 17 34 K 0.33299066612465 0.89049060635520 0.90535931850972 39.098 > 18 35 K 0.83299066612465 0.60950939364480 0.40535931850972 39.098 > 19 36 K 0.16700933387535 0.60950939364480 0.09464068149028 39.098 > 20 *37 K 0.82842049747751 0.91799003593333 0.92391948011097 39.098 > 21 38 K 0.17157950252249 0.91799003593333 0.57608051988903 39.098 > 22 39 K 0.67157950252249 0.58200996406667 0.07608051988903 39.098 > 23 40 K 0.32842049747751 0.58200996406667 0.42391948011097 39.098 > 24 41 K 0.16700933387535 0.39049060635520 0.59464068149028 39.098 > 17 42 K 0.83299066612465 0.39049060635520 0.90535931850972 39.098 > 18 43 K 0.33299066612465 0.10950939364480 0.40535931850972 39.098 > 19 44 K 0.66700933387535 0.10950939364480 0.09464068149028 39.098 > 20 45 K 0.32842049747751 0.41799003593333 0.92391948011097 39.098 > 21 46 K 0.67157950252249 0.41799003593333 0.57608051988903 39.098 > 22 47 K 0.17157950252249 0.08200996406667 0.07608051988903 39.098 > 23 48 K 0.82842049747751 0.08200996406667 0.42391948011097 39.098 > 24 -------------------------------- super cell -------------------------------- Lattice vectors: a 10.351155420679323 0.000000000000000 0.000000000000000 b 0.000000000000000 14.492936159999999 0.000000000000000 c -5.090979368657174 0.000000000000000 9.552349194844050 Atomic positions (fractional): *1 Be 0.50000000000000 0.09522419502454 0.75000000000000 9.012 > 1 2 Be 0.50000000000000 0.59522419502454 0.75000000000000 9.012 > 1 3 Be 0.00000000000000 0.15477580497546 0.25000000000000 9.012 > 2 4 Be 0.00000000000000 0.65477580497546 0.25000000000000 9.012 > 2 *5 Be 0.00000000000000 0.36527917377301 0.25000000000000 9.012 > 3 6 Be 0.00000000000000 0.86527917377301 0.25000000000000 9.012 > 3 7 Be 0.50000000000000 0.38472082622699 0.75000000000000 9.012 > 4 8 Be 0.50000000000000 0.88472082622699 0.75000000000000 9.012 > 4 *9 Be 0.50000000000000 0.25956592356222 0.25000000000000 9.012 > 5 10 Be 0.50000000000000 0.75956592356222 0.25000000000000 9.012 > 5 11 Be 0.00000000000000 0.49043407643778 0.75000000000000 9.012 > 6 12 Be 0.00000000000000 0.99043407643778 0.75000000000000 9.012 > 6 13 Be 0.00000000000000 0.34522419502454 0.75000000000000 9.012 > 1 14 Be 0.00000000000000 0.84522419502454 0.75000000000000 9.012 > 1 15 Be 0.50000000000000 0.40477580497546 0.25000000000000 9.012 > 2 16 Be 0.50000000000000 0.90477580497546 0.25000000000000 9.012 > 2 17 Be 0.50000000000000 0.11527917377301 0.25000000000000 9.012 > 3 18 Be 0.50000000000000 0.61527917377301 0.25000000000000 9.012 > 3 19 Be 0.00000000000000 0.13472082622699 0.75000000000000 9.012 > 4 20 Be 0.00000000000000 0.63472082622699 0.75000000000000 9.012 > 4 21 Be 0.00000000000000 0.00956592356222 0.25000000000000 9.012 > 5 22 Be 0.00000000000000 0.50956592356222 0.25000000000000 9.012 > 5 23 Be 0.50000000000000 0.24043407643778 0.75000000000000 9.012 > 6 24 Be 0.50000000000000 0.74043407643778 0.75000000000000 9.012 > 6 *25 O 0.00000000000000 0.26027152918161 0.25000000000000 15.999 > 7 26 O 0.00000000000000 0.76027152918161 0.25000000000000 15.999 > 7 27 O 0.50000000000000 0.48972847081839 0.75000000000000 15.999 > 8 28 O 0.50000000000000 0.98972847081839 0.75000000000000 15.999 > 8 *29 O 0.94789193291338 0.08772479790237 0.12223173875797 15.999 > 9 30 O 0.94789193291338 0.58772479790237 0.12223173875797 15.999 > 9 31 O 0.55210806708662 0.33772479790237 0.37776826124203 15.999 > 10 32 O 0.55210806708662 0.83772479790237 0.37776826124203 15.999 > 10 33 O 0.55210806708662 0.16227520209763 0.87776826124203 15.999 > 11 34 O 0.55210806708662 0.66227520209763 0.87776826124203 15.999 > 11 35 O 0.94789193291338 0.41227520209763 0.62223173875797 15.999 > 12 36 O 0.94789193291338 0.91227520209763 0.62223173875797 15.999 > 12 *37 O 0.87284640243360 0.43031346424190 0.23291444354500 15.999 > 13 38 O 0.87284640243360 0.93031346424190 0.23291444354500 15.999 > 13 39 O 0.12715359756641 0.43031346424190 0.26708555645500 15.999 > 14 40 O 0.12715359756641 0.93031346424190 0.26708555645500 15.999 > 14 41 O 0.62715359756640 0.31968653575810 0.76708555645500 15.999 > 15 42 O 0.62715359756640 0.81968653575810 0.76708555645500 15.999 > 15 43 O 0.37284640243360 0.31968653575810 0.73291444354500 15.999 > 16 44 O 0.37284640243360 0.81968653575810 0.73291444354500 15.999 > 16 45 O 0.50000000000000 0.01027152918161 0.25000000000000 15.999 > 7 46 O 0.50000000000000 0.51027152918161 0.25000000000000 15.999 > 7 47 O 0.00000000000000 0.23972847081839 0.75000000000000 15.999 > 8 48 O 0.00000000000000 0.73972847081839 0.75000000000000 15.999 > 8 49 O 0.44789193291338 0.33772479790237 0.12223173875797 15.999 > 9 50 O 0.44789193291338 0.83772479790237 0.12223173875797 15.999 > 9 51 O 0.05210806708662 0.08772479790237 0.37776826124203 15.999 > 10 52 O 0.05210806708662 0.58772479790237 0.37776826124203 15.999 > 10 53 O 0.05210806708662 0.41227520209763 0.87776826124203 15.999 > 11 54 O 0.05210806708662 0.91227520209763 0.87776826124203 15.999 > 11 55 O 0.44789193291338 0.16227520209763 0.62223173875797 15.999 > 12 56 O 0.44789193291338 0.66227520209763 0.62223173875797 15.999 > 12 57 O 0.37284640243360 0.18031346424191 0.23291444354500 15.999 > 13 58 O 0.37284640243360 0.68031346424190 0.23291444354500 15.999 > 13 59 O 0.62715359756640 0.18031346424191 0.26708555645500 15.999 > 14 60 O 0.62715359756640 0.68031346424190 0.26708555645500 15.999 > 14 61 O 0.12715359756641 0.06968653575809 0.76708555645500 15.999 > 15 62 O 0.12715359756641 0.56968653575810 0.76708555645500 15.999 > 15 63 O 0.87284640243360 0.06968653575809 0.73291444354500 15.999 > 16 64 O 0.87284640243360 0.56968653575810 0.73291444354500 15.999 > 16 *65 K 0.66700933387535 0.44524530317760 0.59464068149028 39.098 > 17 66 K 0.66700933387535 0.94524530317760 0.59464068149028 39.098 > 17 67 K 0.33299066612465 0.44524530317760 0.90535931850972 39.098 > 18 68 K 0.33299066612465 0.94524530317760 0.90535931850972 39.098 > 18 69 K 0.83299066612465 0.30475469682240 0.40535931850972 39.098 > 19 70 K 0.83299066612465 0.80475469682240 0.40535931850972 39.098 > 19 71 K 0.16700933387535 0.30475469682240 0.09464068149028 39.098 > 20 72 K 0.16700933387535 0.80475469682240 0.09464068149028 39.098 > 20 *73 K 0.82842049747751 0.45899501796667 0.92391948011097 39.098 > 21 74 K 0.82842049747751 0.95899501796667 0.92391948011097 39.098 > 21 75 K 0.17157950252249 0.45899501796667 0.57608051988903 39.098 > 22 76 K 0.17157950252249 0.95899501796667 0.57608051988903 39.098 > 22 77 K 0.67157950252249 0.29100498203333 0.07608051988903 39.098 > 23 78 K 0.67157950252249 0.79100498203333 0.07608051988903 39.098 > 23 79 K 0.32842049747751 0.29100498203333 0.42391948011097 39.098 > 24 80 K 0.32842049747751 0.79100498203333 0.42391948011097 39.098 > 24 81 K 0.16700933387535 0.19524530317760 0.59464068149028 39.098 > 17 82 K 0.16700933387535 0.69524530317760 0.59464068149028 39.098 > 17 83 K 0.83299066612465 0.19524530317760 0.90535931850972 39.098 > 18 84 K 0.83299066612465 0.69524530317760 0.90535931850972 39.098 > 18 85 K 0.33299066612465 0.05475469682240 0.40535931850972 39.098 > 19 86 K 0.33299066612465 0.55475469682240 0.40535931850972 39.098 > 19 87 K 0.66700933387535 0.05475469682240 0.09464068149028 39.098 > 20 88 K 0.66700933387535 0.55475469682240 0.09464068149028 39.098 > 20 89 K 0.32842049747751 0.20899501796667 0.92391948011097 39.098 > 21 90 K 0.32842049747751 0.70899501796667 0.92391948011097 39.098 > 21 91 K 0.67157950252249 0.20899501796667 0.57608051988903 39.098 > 22 92 K 0.67157950252249 0.70899501796667 0.57608051988903 39.098 > 22 93 K 0.17157950252249 0.04100498203333 0.07608051988903 39.098 > 23 94 K 0.17157950252249 0.54100498203333 0.07608051988903 39.098 > 23 95 K 0.82842049747751 0.04100498203333 0.42391948011097 39.098 > 24 96 K 0.82842049747751 0.54100498203333 0.42391948011097 39.098 > 24 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.7223309 0.0000000 -0.0083667 0.0000000 2.7495445 0.0000000 -0.0083670 0.0000000 2.7032871 -------------------------- Born effective charges -------------------------- 1 Be 0.5058348 0.0000000 -0.0840876 0.0000000 2.2031673 0.0000000 -0.0832926 0.0000000 1.4423102 2 Be 0.5058348 0.0000000 -0.0840876 0.0000000 2.2031673 0.0000000 -0.0832926 0.0000000 1.4423102 3 Be 1.4984956 0.0000000 0.1215199 0.0000000 2.1206489 0.0000000 0.1327243 0.0000000 0.3379623 4 Be 1.4984956 0.0000000 0.1215199 0.0000000 2.1206489 0.0000000 0.1327243 0.0000000 0.3379623 5 Be 1.2088224 0.0000000 0.0243996 0.0000000 2.0450855 0.0000000 0.0370996 0.0000000 1.2120696 6 Be 1.2088224 0.0000000 0.0243996 0.0000000 2.0450855 0.0000000 0.0370996 0.0000000 1.2120696 7 O -1.2992738 0.0000000 -0.0153187 0.0000000 -2.7875718 0.0000000 -0.0127863 0.0000000 -1.1654775 8 O -1.2992738 0.0000000 -0.0153187 0.0000000 -2.7875718 0.0000000 -0.0127863 0.0000000 -1.1654775 9 O -1.3205661 0.0207373 0.0503895 0.0367316 -1.9561278 0.0378169 0.0720848 0.0276923 -2.0729949 10 O -1.3205661 -0.0207373 0.0503895 -0.0367316 -1.9561278 -0.0378169 0.0720848 -0.0276923 -2.0729949 11 O -1.3205661 0.0207373 0.0503895 0.0367316 -1.9561278 0.0378169 0.0720848 0.0276923 -2.0729949 12 O -1.3205661 -0.0207373 0.0503895 -0.0367316 -1.9561278 -0.0378169 0.0720848 -0.0276923 -2.0729949 13 O -2.0217598 -0.0411025 -0.0744149 -0.0099179 -2.0166664 0.0245258 -0.1012503 0.0123135 -1.2926429 14 O -2.0217598 0.0411025 -0.0744149 0.0099179 -2.0166664 -0.0245258 -0.1012503 -0.0123135 -1.2926429 15 O -2.0217598 -0.0411025 -0.0744149 -0.0099179 -2.0166664 0.0245258 -0.1012503 0.0123135 -1.2926429 16 O -2.0217598 0.0411025 -0.0744149 0.0099179 -2.0166664 -0.0245258 -0.1012503 -0.0123135 -1.2926429 17 K 1.1968338 0.0688091 0.0112038 0.0649229 1.1031133 0.1252197 -0.0077658 0.1033599 1.1932639 18 K 1.1968338 -0.0688091 0.0112038 -0.0649229 1.1031133 -0.1252197 -0.0077658 -0.1033599 1.1932639 19 K 1.1968338 0.0688091 0.0112038 0.0649229 1.1031133 0.1252197 -0.0077658 0.1033599 1.1932639 20 K 1.1968338 -0.0688091 0.0112038 -0.0649229 1.1031133 -0.1252197 -0.0077658 -0.1033599 1.1932639 21 K 1.1885527 0.0289499 -0.0104350 0.0277045 1.0790160 0.0876220 0.0000587 0.0735895 1.2589416 22 K 1.1885527 -0.0289499 -0.0104350 -0.0277045 1.0790160 -0.0876220 0.0000587 -0.0735895 1.2589416 23 K 1.1885527 0.0289499 -0.0104350 0.0277045 1.0790160 0.0876220 0.0000587 0.0735895 1.2589416 24 K 1.1885527 -0.0289499 -0.0104350 -0.0277045 1.0790160 -0.0876220 0.0000587 -0.0735895 1.2589416 ---------------------------------------------------------------------------- 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: 288/288 Permutation basis: 12240/12240 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 2732 Number of blocks in projector: 2732 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: 640 Use submatrix version of eigh solver. (1) Block: 500 / 640 (2) Block: 250 / 500 (2) 235 eigenvectors found. (2) Block: 500 / 500 (2) 237 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 13 eigenvectors found. (1) 485 eigenvectors found. (1) Block: 640 / 640 (1) 135 eigenvectors found. (1) Complementary block size: 20 (1) Compute compressed projector. (1) Use standard solver. (1) 5 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 512 Use submatrix version of eigh solver. (1) Block: 512 / 512 (2) Block: 250 / 512 (2) 242 eigenvectors found. (2) Block: 512 / 512 (2) 254 eigenvectors found. (2) Complementary block size: 16 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 504 eigenvectors found. (1) Complementary block size: 8 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 512 Use submatrix version of eigh solver. (1) Block: 512 / 512 (2) Block: 250 / 512 (2) 242 eigenvectors found. (2) Block: 512 / 512 (2) 254 eigenvectors found. (2) Complementary block size: 16 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 504 eigenvectors found. (1) Complementary block size: 8 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 356 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 356 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 356 Use standard eigh solver. Tree of FC basis block matrices: - (2732, 2677), data: False |-- (356, 348), data: True |-- (356, 348), data: True |-- (356, 348), data: True |-- (512, 504), data: False |-- (512, 504), data: False |-- (512, 8), data: (512, 16) @ (16, 8) |-- (262, 254), data: True |-- (250, 242), data: True |-- (512, 504), data: False |-- (512, 504), data: False |-- (512, 8), data: (512, 16) @ (16, 8) |-- (262, 254), data: True |-- (250, 242), data: True |-- (640, 625), data: False |-- (640, 5), data: (640, 20) @ (20, 5) |-- (140, 135), data: True |-- (500, 485), data: False |-- (500, 13), data: (500, 28) @ (28, 13) |-- (250, 237), data: True |-- (250, 235), data: True ----- Solver_atoms: 1 -- 96 / 96 Time (Solver_compr_matrix_reshape): 0.002 Solver_block: 100 / 720 - Time: 0.711 Solver_block: 200 / 720 - Time: 0.582 Solver_block: 300 / 720 - Time: 0.581 Solver_block: 400 / 720 - Time: 0.584 Solver_block: 500 / 720 - Time: 0.584 Solver_block: 600 / 720 - Time: 0.589 Solver_block: 700 / 720 - Time: 0.582 Solver_block: 720 / 720 - Time: 0.225 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 4.543 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (yy) 0.00000000 (yy) Permutation basis: 288/288 Permutation basis: 12240/12240 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 2732 Number of blocks in projector: 2732 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: 640 Use submatrix version of eigh solver. (1) Block: 500 / 640 (2) Block: 250 / 500 (2) 235 eigenvectors found. (2) Block: 500 / 500 (2) 237 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 13 eigenvectors found. (1) 485 eigenvectors found. (1) Block: 640 / 640 (1) 135 eigenvectors found. (1) Complementary block size: 20 (1) Compute compressed projector. (1) Use standard solver. (1) 5 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 512 Use submatrix version of eigh solver. (1) Block: 512 / 512 (2) Block: 250 / 512 (2) 242 eigenvectors found. (2) Block: 512 / 512 (2) 254 eigenvectors found. (2) Complementary block size: 16 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 504 eigenvectors found. (1) Complementary block size: 8 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 512 Use submatrix version of eigh solver. (1) Block: 512 / 512 (2) Block: 250 / 512 (2) 242 eigenvectors found. (2) Block: 512 / 512 (2) 254 eigenvectors found. (2) Complementary block size: 16 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 504 eigenvectors found. (1) Complementary block size: 8 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 356 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 356 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 356 Use standard eigh solver. Tree of FC basis block matrices: - (2732, 2677), data: False |-- (356, 348), data: True |-- (356, 348), data: True |-- (356, 348), data: True |-- (512, 504), data: False |-- (512, 504), data: False |-- (512, 8), data: (512, 16) @ (16, 8) |-- (262, 254), data: True |-- (250, 242), data: True |-- (512, 504), data: False |-- (512, 504), data: False |-- (512, 8), data: (512, 16) @ (16, 8) |-- (262, 254), data: True |-- (250, 242), data: True |-- (640, 625), data: False |-- (640, 5), data: (640, 20) @ (20, 5) |-- (140, 135), data: True |-- (500, 485), data: False |-- (500, 13), data: (500, 28) @ (28, 13) |-- (250, 237), data: True |-- (250, 235), data: True Max drift after symmetrization by symfc projector: -0.00000000 (yy) -0.00000000 (yy) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 06:51:19]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 06:51:20]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [1 2 1] Primitive matrix: [ 0.5 0.5 -0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/c (15) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.175577710339661 -3.623234040000000 0.000000000000000 b 5.175577710339661 3.623234040000000 0.000000000000000 c -5.090979368657174 0.000000000000000 9.552349194844050 Atomic positions (fractional): 1 Be 0.30955160995091 0.69044839004909 0.75000000000000 9.012 2 Be 0.69044839004909 0.30955160995091 0.25000000000000 9.012 3 Be 0.26944165245398 0.73055834754602 0.25000000000000 9.012 4 Be 0.73055834754602 0.26944165245399 0.75000000000000 9.012 5 Be 0.98086815287556 0.01913184712444 0.25000000000000 9.012 6 Be 0.01913184712444 0.98086815287556 0.75000000000000 9.012 7 O 0.47945694163678 0.52054305836322 0.25000000000000 15.999 8 O 0.52054305836322 0.47945694163678 0.75000000000000 15.999 9 O 0.77244233710864 0.12334152871812 0.12223173875797 15.999 10 O 0.87665847128188 0.22755766289136 0.37776826124203 15.999 11 O 0.22755766289136 0.87665847128188 0.87776826124203 15.999 12 O 0.12334152871812 0.77244233710864 0.62223173875797 15.999 13 O 0.01221947394979 0.73347333091741 0.23291444354500 15.999 14 O 0.26652666908260 0.98778052605021 0.26708555645500 15.999 15 O 0.98778052605021 0.26652666908259 0.76708555645500 15.999 16 O 0.73347333091740 0.01221947394979 0.73291444354500 15.999 17 K 0.77651872752016 0.55749994023055 0.59464068149028 39.098 18 K 0.44250005976945 0.22348127247984 0.90535931850972 39.098 19 K 0.22348127247984 0.44250005976945 0.40535931850972 39.098 20 K 0.55749994023055 0.77651872752016 0.09464068149028 39.098 21 K 0.91043046154417 0.74641053341084 0.92391948011097 39.098 22 K 0.25358946658916 0.08956953845583 0.57608051988903 39.098 23 K 0.08956953845583 0.25358946658916 0.07608051988903 39.098 24 K 0.74641053341084 0.91043046154417 0.42391948011097 39.098 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.351155420679323 0.000000000000000 0.000000000000000 b 0.000000000000000 14.492936159999999 0.000000000000000 c -5.090979368657174 0.000000000000000 9.552349194844050 Atomic positions (fractional): 1 Be 0.50000000000000 0.09522419502454 0.75000000000000 9.012 > 1 2 Be 0.50000000000000 0.59522419502454 0.75000000000000 9.012 > 1 3 Be 0.00000000000000 0.15477580497546 0.25000000000000 9.012 > 3 4 Be 0.00000000000000 0.65477580497546 0.25000000000000 9.012 > 3 5 Be 0.00000000000000 0.36527917377301 0.25000000000000 9.012 > 5 6 Be 0.00000000000000 0.86527917377301 0.25000000000000 9.012 > 5 7 Be 0.50000000000000 0.38472082622699 0.75000000000000 9.012 > 7 8 Be 0.50000000000000 0.88472082622699 0.75000000000000 9.012 > 7 9 Be 0.50000000000000 0.25956592356222 0.25000000000000 9.012 > 9 10 Be 0.50000000000000 0.75956592356222 0.25000000000000 9.012 > 9 11 Be 0.00000000000000 0.49043407643778 0.75000000000000 9.012 > 11 12 Be 0.00000000000000 0.99043407643778 0.75000000000000 9.012 > 11 13 Be 0.00000000000000 0.34522419502454 0.75000000000000 9.012 > 1 14 Be 0.00000000000000 0.84522419502454 0.75000000000000 9.012 > 1 15 Be 0.50000000000000 0.40477580497546 0.25000000000000 9.012 > 3 16 Be 0.50000000000000 0.90477580497546 0.25000000000000 9.012 > 3 17 Be 0.50000000000000 0.11527917377301 0.25000000000000 9.012 > 5 18 Be 0.50000000000000 0.61527917377301 0.25000000000000 9.012 > 5 19 Be 0.00000000000000 0.13472082622699 0.75000000000000 9.012 > 7 20 Be 0.00000000000000 0.63472082622699 0.75000000000000 9.012 > 7 21 Be 0.00000000000000 0.00956592356222 0.25000000000000 9.012 > 9 22 Be 0.00000000000000 0.50956592356222 0.25000000000000 9.012 > 9 23 Be 0.50000000000000 0.24043407643778 0.75000000000000 9.012 > 11 24 Be 0.50000000000000 0.74043407643778 0.75000000000000 9.012 > 11 25 O 0.00000000000000 0.26027152918161 0.25000000000000 15.999 > 25 26 O 0.00000000000000 0.76027152918161 0.25000000000000 15.999 > 25 27 O 0.50000000000000 0.48972847081839 0.75000000000000 15.999 > 27 28 O 0.50000000000000 0.98972847081839 0.75000000000000 15.999 > 27 29 O 0.94789193291338 0.08772479790237 0.12223173875797 15.999 > 29 30 O 0.94789193291338 0.58772479790237 0.12223173875797 15.999 > 29 31 O 0.55210806708662 0.33772479790237 0.37776826124203 15.999 > 31 32 O 0.55210806708662 0.83772479790237 0.37776826124203 15.999 > 31 33 O 0.55210806708662 0.16227520209763 0.87776826124203 15.999 > 33 34 O 0.55210806708662 0.66227520209763 0.87776826124203 15.999 > 33 35 O 0.94789193291338 0.41227520209763 0.62223173875797 15.999 > 35 36 O 0.94789193291338 0.91227520209763 0.62223173875797 15.999 > 35 37 O 0.87284640243360 0.43031346424190 0.23291444354500 15.999 > 37 38 O 0.87284640243360 0.93031346424190 0.23291444354500 15.999 > 37 39 O 0.12715359756641 0.43031346424190 0.26708555645500 15.999 > 39 40 O 0.12715359756641 0.93031346424190 0.26708555645500 15.999 > 39 41 O 0.62715359756640 0.31968653575810 0.76708555645500 15.999 > 41 42 O 0.62715359756640 0.81968653575810 0.76708555645500 15.999 > 41 43 O 0.37284640243360 0.31968653575810 0.73291444354500 15.999 > 43 44 O 0.37284640243360 0.81968653575810 0.73291444354500 15.999 > 43 45 O 0.50000000000000 0.01027152918161 0.25000000000000 15.999 > 25 46 O 0.50000000000000 0.51027152918161 0.25000000000000 15.999 > 25 47 O 0.00000000000000 0.23972847081839 0.75000000000000 15.999 > 27 48 O 0.00000000000000 0.73972847081839 0.75000000000000 15.999 > 27 49 O 0.44789193291338 0.33772479790237 0.12223173875797 15.999 > 29 50 O 0.44789193291338 0.83772479790237 0.12223173875797 15.999 > 29 51 O 0.05210806708662 0.08772479790237 0.37776826124203 15.999 > 31 52 O 0.05210806708662 0.58772479790237 0.37776826124203 15.999 > 31 53 O 0.05210806708662 0.41227520209763 0.87776826124203 15.999 > 33 54 O 0.05210806708662 0.91227520209763 0.87776826124203 15.999 > 33 55 O 0.44789193291338 0.16227520209763 0.62223173875797 15.999 > 35 56 O 0.44789193291338 0.66227520209763 0.62223173875797 15.999 > 35 57 O 0.37284640243360 0.18031346424191 0.23291444354500 15.999 > 37 58 O 0.37284640243360 0.68031346424190 0.23291444354500 15.999 > 37 59 O 0.62715359756640 0.18031346424191 0.26708555645500 15.999 > 39 60 O 0.62715359756640 0.68031346424190 0.26708555645500 15.999 > 39 61 O 0.12715359756641 0.06968653575809 0.76708555645500 15.999 > 41 62 O 0.12715359756641 0.56968653575810 0.76708555645500 15.999 > 41 63 O 0.87284640243360 0.06968653575809 0.73291444354500 15.999 > 43 64 O 0.87284640243360 0.56968653575810 0.73291444354500 15.999 > 43 65 K 0.66700933387535 0.44524530317760 0.59464068149028 39.098 > 65 66 K 0.66700933387535 0.94524530317760 0.59464068149028 39.098 > 65 67 K 0.33299066612465 0.44524530317760 0.90535931850972 39.098 > 67 68 K 0.33299066612465 0.94524530317760 0.90535931850972 39.098 > 67 69 K 0.83299066612465 0.30475469682240 0.40535931850972 39.098 > 69 70 K 0.83299066612465 0.80475469682240 0.40535931850972 39.098 > 69 71 K 0.16700933387535 0.30475469682240 0.09464068149028 39.098 > 71 72 K 0.16700933387535 0.80475469682240 0.09464068149028 39.098 > 71 73 K 0.82842049747751 0.45899501796667 0.92391948011097 39.098 > 73 74 K 0.82842049747751 0.95899501796667 0.92391948011097 39.098 > 73 75 K 0.17157950252249 0.45899501796667 0.57608051988903 39.098 > 75 76 K 0.17157950252249 0.95899501796667 0.57608051988903 39.098 > 75 77 K 0.67157950252249 0.29100498203333 0.07608051988903 39.098 > 77 78 K 0.67157950252249 0.79100498203333 0.07608051988903 39.098 > 77 79 K 0.32842049747751 0.29100498203333 0.42391948011097 39.098 > 79 80 K 0.32842049747751 0.79100498203333 0.42391948011097 39.098 > 79 81 K 0.16700933387535 0.19524530317760 0.59464068149028 39.098 > 65 82 K 0.16700933387535 0.69524530317760 0.59464068149028 39.098 > 65 83 K 0.83299066612465 0.19524530317760 0.90535931850972 39.098 > 67 84 K 0.83299066612465 0.69524530317760 0.90535931850972 39.098 > 67 85 K 0.33299066612465 0.05475469682240 0.40535931850972 39.098 > 69 86 K 0.33299066612465 0.55475469682240 0.40535931850972 39.098 > 69 87 K 0.66700933387535 0.05475469682240 0.09464068149028 39.098 > 71 88 K 0.66700933387535 0.55475469682240 0.09464068149028 39.098 > 71 89 K 0.32842049747751 0.20899501796667 0.92391948011097 39.098 > 73 90 K 0.32842049747751 0.70899501796667 0.92391948011097 39.098 > 73 91 K 0.67157950252249 0.20899501796667 0.57608051988903 39.098 > 75 92 K 0.67157950252249 0.70899501796667 0.57608051988903 39.098 > 75 93 K 0.17157950252249 0.04100498203333 0.07608051988903 39.098 > 77 94 K 0.17157950252249 0.54100498203333 0.07608051988903 39.098 > 77 95 K 0.82842049747751 0.04100498203333 0.42391948011097 39.098 > 79 96 K 0.82842049747751 0.54100498203333 0.42391948011097 39.098 > 79 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.7223309 0.0000000 -0.0083667 0.0000000 2.7495445 0.0000000 -0.0083670 0.0000000 2.7032871 -------------------------- Born effective charges -------------------------- 1 Be 0.5058348 0.0000000 -0.0840876 0.0000000 2.2031673 0.0000000 -0.0832926 0.0000000 1.4423102 2 Be 0.5058348 0.0000000 -0.0840876 0.0000000 2.2031673 0.0000000 -0.0832926 0.0000000 1.4423102 3 Be 1.4984956 0.0000000 0.1215199 0.0000000 2.1206489 0.0000000 0.1327243 0.0000000 0.3379623 4 Be 1.4984956 0.0000000 0.1215199 0.0000000 2.1206489 0.0000000 0.1327243 0.0000000 0.3379623 5 Be 1.2088224 0.0000000 0.0243996 0.0000000 2.0450855 0.0000000 0.0370996 0.0000000 1.2120696 6 Be 1.2088224 0.0000000 0.0243996 0.0000000 2.0450855 0.0000000 0.0370996 0.0000000 1.2120696 7 O -1.2992738 0.0000000 -0.0153187 0.0000000 -2.7875718 0.0000000 -0.0127863 0.0000000 -1.1654775 8 O -1.2992738 0.0000000 -0.0153187 0.0000000 -2.7875718 0.0000000 -0.0127863 0.0000000 -1.1654775 9 O -1.3205661 0.0207373 0.0503895 0.0367316 -1.9561278 0.0378169 0.0720848 0.0276923 -2.0729949 10 O -1.3205661 -0.0207373 0.0503895 -0.0367316 -1.9561278 -0.0378169 0.0720848 -0.0276923 -2.0729949 11 O -1.3205661 0.0207373 0.0503895 0.0367316 -1.9561278 0.0378169 0.0720848 0.0276923 -2.0729949 12 O -1.3205661 -0.0207373 0.0503895 -0.0367316 -1.9561278 -0.0378169 0.0720848 -0.0276923 -2.0729949 13 O -2.0217598 -0.0411025 -0.0744149 -0.0099179 -2.0166664 0.0245258 -0.1012503 0.0123135 -1.2926429 14 O -2.0217598 0.0411025 -0.0744149 0.0099179 -2.0166664 -0.0245258 -0.1012503 -0.0123135 -1.2926429 15 O -2.0217598 -0.0411025 -0.0744149 -0.0099179 -2.0166664 0.0245258 -0.1012503 0.0123135 -1.2926429 16 O -2.0217598 0.0411025 -0.0744149 0.0099179 -2.0166664 -0.0245258 -0.1012503 -0.0123135 -1.2926429 17 K 1.1968338 0.0688091 0.0112038 0.0649229 1.1031133 0.1252197 -0.0077658 0.1033599 1.1932639 18 K 1.1968338 -0.0688091 0.0112038 -0.0649229 1.1031133 -0.1252197 -0.0077658 -0.1033599 1.1932639 19 K 1.1968338 0.0688091 0.0112038 0.0649229 1.1031133 0.1252197 -0.0077658 0.1033599 1.1932639 20 K 1.1968338 -0.0688091 0.0112038 -0.0649229 1.1031133 -0.1252197 -0.0077658 -0.1033599 1.1932639 21 K 1.1885527 0.0289499 -0.0104350 0.0277045 1.0790160 0.0876220 0.0000587 0.0735895 1.2589416 22 K 1.1885527 -0.0289499 -0.0104350 -0.0277045 1.0790160 -0.0876220 0.0000587 -0.0735895 1.2589416 23 K 1.1885527 0.0289499 -0.0104350 0.0277045 1.0790160 0.0876220 0.0000587 0.0735895 1.2589416 24 K 1.1885527 -0.0289499 -0.0104350 -0.0277045 1.0790160 -0.0876220 0.0000587 -0.0735895 1.2589416 ---------------------------------------------------------------------------- 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] [-0.0047 0.0000 0.0088] [ 0.0047 0.0000 -0.0088] Computing fc3[ 5, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0047 0.0000 0.0088] [ 0.0047 0.0000 -0.0088] Computing fc3[ 9, 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] [-0.0047 0.0000 0.0088] [ 0.0047 0.0000 -0.0088] Computing fc3[ 25, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0047 0.0000 0.0088] [ 0.0047 0.0000 -0.0088] Computing fc3[ 29, 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] [-0.0047 0.0000 0.0088] [ 0.0047 0.0000 -0.0088] Computing fc3[ 37, 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] [-0.0047 0.0000 0.0088] [ 0.0047 0.0000 -0.0088] 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] [-0.0047 0.0000 0.0088] [ 0.0047 0.0000 -0.0088] Computing fc3[ 73, 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] [-0.0047 0.0000 0.0088] [ 0.0047 0.0000 -0.0088] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000000 (xyx) -0.00000000 (xyx) -0.00000000 (xxy) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000000 (xy) 0.00000000 (xy) 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 06:51:45]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 06:51:45]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [1 2 1] Primitive matrix: [ 0.5 0.5 -0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/c (15) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.175577710339661 -3.623234040000000 0.000000000000000 b 5.175577710339661 3.623234040000000 0.000000000000000 c -5.090979368657174 0.000000000000000 9.552349194844050 Atomic positions (fractional): 1 Be 0.30955160995091 0.69044839004909 0.75000000000000 9.012 2 Be 0.69044839004909 0.30955160995091 0.25000000000000 9.012 3 Be 0.26944165245398 0.73055834754602 0.25000000000000 9.012 4 Be 0.73055834754602 0.26944165245399 0.75000000000000 9.012 5 Be 0.98086815287556 0.01913184712444 0.25000000000000 9.012 6 Be 0.01913184712444 0.98086815287556 0.75000000000000 9.012 7 O 0.47945694163678 0.52054305836322 0.25000000000000 15.999 8 O 0.52054305836322 0.47945694163678 0.75000000000000 15.999 9 O 0.77244233710864 0.12334152871812 0.12223173875797 15.999 10 O 0.87665847128188 0.22755766289136 0.37776826124203 15.999 11 O 0.22755766289136 0.87665847128188 0.87776826124203 15.999 12 O 0.12334152871812 0.77244233710864 0.62223173875797 15.999 13 O 0.01221947394979 0.73347333091741 0.23291444354500 15.999 14 O 0.26652666908260 0.98778052605021 0.26708555645500 15.999 15 O 0.98778052605021 0.26652666908259 0.76708555645500 15.999 16 O 0.73347333091740 0.01221947394979 0.73291444354500 15.999 17 K 0.77651872752016 0.55749994023055 0.59464068149028 39.098 18 K 0.44250005976945 0.22348127247984 0.90535931850972 39.098 19 K 0.22348127247984 0.44250005976945 0.40535931850972 39.098 20 K 0.55749994023055 0.77651872752016 0.09464068149028 39.098 21 K 0.91043046154417 0.74641053341084 0.92391948011097 39.098 22 K 0.25358946658916 0.08956953845583 0.57608051988903 39.098 23 K 0.08956953845583 0.25358946658916 0.07608051988903 39.098 24 K 0.74641053341084 0.91043046154417 0.42391948011097 39.098 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.351155420679323 0.000000000000000 0.000000000000000 b 0.000000000000000 14.492936159999999 0.000000000000000 c -5.090979368657174 0.000000000000000 9.552349194844050 Atomic positions (fractional): 1 Be 0.50000000000000 0.09522419502454 0.75000000000000 9.012 > 1 2 Be 0.50000000000000 0.59522419502454 0.75000000000000 9.012 > 1 3 Be 0.00000000000000 0.15477580497546 0.25000000000000 9.012 > 3 4 Be 0.00000000000000 0.65477580497546 0.25000000000000 9.012 > 3 5 Be 0.00000000000000 0.36527917377301 0.25000000000000 9.012 > 5 6 Be 0.00000000000000 0.86527917377301 0.25000000000000 9.012 > 5 7 Be 0.50000000000000 0.38472082622699 0.75000000000000 9.012 > 7 8 Be 0.50000000000000 0.88472082622699 0.75000000000000 9.012 > 7 9 Be 0.50000000000000 0.25956592356222 0.25000000000000 9.012 > 9 10 Be 0.50000000000000 0.75956592356222 0.25000000000000 9.012 > 9 11 Be 0.00000000000000 0.49043407643778 0.75000000000000 9.012 > 11 12 Be 0.00000000000000 0.99043407643778 0.75000000000000 9.012 > 11 13 Be 0.00000000000000 0.34522419502454 0.75000000000000 9.012 > 1 14 Be 0.00000000000000 0.84522419502454 0.75000000000000 9.012 > 1 15 Be 0.50000000000000 0.40477580497546 0.25000000000000 9.012 > 3 16 Be 0.50000000000000 0.90477580497546 0.25000000000000 9.012 > 3 17 Be 0.50000000000000 0.11527917377301 0.25000000000000 9.012 > 5 18 Be 0.50000000000000 0.61527917377301 0.25000000000000 9.012 > 5 19 Be 0.00000000000000 0.13472082622699 0.75000000000000 9.012 > 7 20 Be 0.00000000000000 0.63472082622699 0.75000000000000 9.012 > 7 21 Be 0.00000000000000 0.00956592356222 0.25000000000000 9.012 > 9 22 Be 0.00000000000000 0.50956592356222 0.25000000000000 9.012 > 9 23 Be 0.50000000000000 0.24043407643778 0.75000000000000 9.012 > 11 24 Be 0.50000000000000 0.74043407643778 0.75000000000000 9.012 > 11 25 O 0.00000000000000 0.26027152918161 0.25000000000000 15.999 > 25 26 O 0.00000000000000 0.76027152918161 0.25000000000000 15.999 > 25 27 O 0.50000000000000 0.48972847081839 0.75000000000000 15.999 > 27 28 O 0.50000000000000 0.98972847081839 0.75000000000000 15.999 > 27 29 O 0.94789193291338 0.08772479790237 0.12223173875797 15.999 > 29 30 O 0.94789193291338 0.58772479790237 0.12223173875797 15.999 > 29 31 O 0.55210806708662 0.33772479790237 0.37776826124203 15.999 > 31 32 O 0.55210806708662 0.83772479790237 0.37776826124203 15.999 > 31 33 O 0.55210806708662 0.16227520209763 0.87776826124203 15.999 > 33 34 O 0.55210806708662 0.66227520209763 0.87776826124203 15.999 > 33 35 O 0.94789193291338 0.41227520209763 0.62223173875797 15.999 > 35 36 O 0.94789193291338 0.91227520209763 0.62223173875797 15.999 > 35 37 O 0.87284640243360 0.43031346424190 0.23291444354500 15.999 > 37 38 O 0.87284640243360 0.93031346424190 0.23291444354500 15.999 > 37 39 O 0.12715359756641 0.43031346424190 0.26708555645500 15.999 > 39 40 O 0.12715359756641 0.93031346424190 0.26708555645500 15.999 > 39 41 O 0.62715359756640 0.31968653575810 0.76708555645500 15.999 > 41 42 O 0.62715359756640 0.81968653575810 0.76708555645500 15.999 > 41 43 O 0.37284640243360 0.31968653575810 0.73291444354500 15.999 > 43 44 O 0.37284640243360 0.81968653575810 0.73291444354500 15.999 > 43 45 O 0.50000000000000 0.01027152918161 0.25000000000000 15.999 > 25 46 O 0.50000000000000 0.51027152918161 0.25000000000000 15.999 > 25 47 O 0.00000000000000 0.23972847081839 0.75000000000000 15.999 > 27 48 O 0.00000000000000 0.73972847081839 0.75000000000000 15.999 > 27 49 O 0.44789193291338 0.33772479790237 0.12223173875797 15.999 > 29 50 O 0.44789193291338 0.83772479790237 0.12223173875797 15.999 > 29 51 O 0.05210806708662 0.08772479790237 0.37776826124203 15.999 > 31 52 O 0.05210806708662 0.58772479790237 0.37776826124203 15.999 > 31 53 O 0.05210806708662 0.41227520209763 0.87776826124203 15.999 > 33 54 O 0.05210806708662 0.91227520209763 0.87776826124203 15.999 > 33 55 O 0.44789193291338 0.16227520209763 0.62223173875797 15.999 > 35 56 O 0.44789193291338 0.66227520209763 0.62223173875797 15.999 > 35 57 O 0.37284640243360 0.18031346424191 0.23291444354500 15.999 > 37 58 O 0.37284640243360 0.68031346424190 0.23291444354500 15.999 > 37 59 O 0.62715359756640 0.18031346424191 0.26708555645500 15.999 > 39 60 O 0.62715359756640 0.68031346424190 0.26708555645500 15.999 > 39 61 O 0.12715359756641 0.06968653575809 0.76708555645500 15.999 > 41 62 O 0.12715359756641 0.56968653575810 0.76708555645500 15.999 > 41 63 O 0.87284640243360 0.06968653575809 0.73291444354500 15.999 > 43 64 O 0.87284640243360 0.56968653575810 0.73291444354500 15.999 > 43 65 K 0.66700933387535 0.44524530317760 0.59464068149028 39.098 > 65 66 K 0.66700933387535 0.94524530317760 0.59464068149028 39.098 > 65 67 K 0.33299066612465 0.44524530317760 0.90535931850972 39.098 > 67 68 K 0.33299066612465 0.94524530317760 0.90535931850972 39.098 > 67 69 K 0.83299066612465 0.30475469682240 0.40535931850972 39.098 > 69 70 K 0.83299066612465 0.80475469682240 0.40535931850972 39.098 > 69 71 K 0.16700933387535 0.30475469682240 0.09464068149028 39.098 > 71 72 K 0.16700933387535 0.80475469682240 0.09464068149028 39.098 > 71 73 K 0.82842049747751 0.45899501796667 0.92391948011097 39.098 > 73 74 K 0.82842049747751 0.95899501796667 0.92391948011097 39.098 > 73 75 K 0.17157950252249 0.45899501796667 0.57608051988903 39.098 > 75 76 K 0.17157950252249 0.95899501796667 0.57608051988903 39.098 > 75 77 K 0.67157950252249 0.29100498203333 0.07608051988903 39.098 > 77 78 K 0.67157950252249 0.79100498203333 0.07608051988903 39.098 > 77 79 K 0.32842049747751 0.29100498203333 0.42391948011097 39.098 > 79 80 K 0.32842049747751 0.79100498203333 0.42391948011097 39.098 > 79 81 K 0.16700933387535 0.19524530317760 0.59464068149028 39.098 > 65 82 K 0.16700933387535 0.69524530317760 0.59464068149028 39.098 > 65 83 K 0.83299066612465 0.19524530317760 0.90535931850972 39.098 > 67 84 K 0.83299066612465 0.69524530317760 0.90535931850972 39.098 > 67 85 K 0.33299066612465 0.05475469682240 0.40535931850972 39.098 > 69 86 K 0.33299066612465 0.55475469682240 0.40535931850972 39.098 > 69 87 K 0.66700933387535 0.05475469682240 0.09464068149028 39.098 > 71 88 K 0.66700933387535 0.55475469682240 0.09464068149028 39.098 > 71 89 K 0.32842049747751 0.20899501796667 0.92391948011097 39.098 > 73 90 K 0.32842049747751 0.70899501796667 0.92391948011097 39.098 > 73 91 K 0.67157950252249 0.20899501796667 0.57608051988903 39.098 > 75 92 K 0.67157950252249 0.70899501796667 0.57608051988903 39.098 > 75 93 K 0.17157950252249 0.04100498203333 0.07608051988903 39.098 > 77 94 K 0.17157950252249 0.54100498203333 0.07608051988903 39.098 > 77 95 K 0.82842049747751 0.04100498203333 0.42391948011097 39.098 > 79 96 K 0.82842049747751 0.54100498203333 0.42391948011097 39.098 > 79 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 2.7223309 0.0000000 -0.0083667 0.0000000 2.7495445 0.0000000 -0.0083670 0.0000000 2.7032871 -------------------------- Born effective charges -------------------------- 1 Be 0.5058348 0.0000000 -0.0840876 0.0000000 2.2031673 0.0000000 -0.0832926 0.0000000 1.4423102 2 Be 0.5058348 0.0000000 -0.0840876 0.0000000 2.2031673 0.0000000 -0.0832926 0.0000000 1.4423102 3 Be 1.4984956 0.0000000 0.1215199 0.0000000 2.1206489 0.0000000 0.1327243 0.0000000 0.3379623 4 Be 1.4984956 0.0000000 0.1215199 0.0000000 2.1206489 0.0000000 0.1327243 0.0000000 0.3379623 5 Be 1.2088224 0.0000000 0.0243996 0.0000000 2.0450855 0.0000000 0.0370996 0.0000000 1.2120696 6 Be 1.2088224 0.0000000 0.0243996 0.0000000 2.0450855 0.0000000 0.0370996 0.0000000 1.2120696 7 O -1.2992738 0.0000000 -0.0153187 0.0000000 -2.7875718 0.0000000 -0.0127863 0.0000000 -1.1654775 8 O -1.2992738 0.0000000 -0.0153187 0.0000000 -2.7875718 0.0000000 -0.0127863 0.0000000 -1.1654775 9 O -1.3205661 0.0207373 0.0503895 0.0367316 -1.9561278 0.0378169 0.0720848 0.0276923 -2.0729949 10 O -1.3205661 -0.0207373 0.0503895 -0.0367316 -1.9561278 -0.0378169 0.0720848 -0.0276923 -2.0729949 11 O -1.3205661 0.0207373 0.0503895 0.0367316 -1.9561278 0.0378169 0.0720848 0.0276923 -2.0729949 12 O -1.3205661 -0.0207373 0.0503895 -0.0367316 -1.9561278 -0.0378169 0.0720848 -0.0276923 -2.0729949 13 O -2.0217598 -0.0411025 -0.0744149 -0.0099179 -2.0166664 0.0245258 -0.1012503 0.0123135 -1.2926429 14 O -2.0217598 0.0411025 -0.0744149 0.0099179 -2.0166664 -0.0245258 -0.1012503 -0.0123135 -1.2926429 15 O -2.0217598 -0.0411025 -0.0744149 -0.0099179 -2.0166664 0.0245258 -0.1012503 0.0123135 -1.2926429 16 O -2.0217598 0.0411025 -0.0744149 0.0099179 -2.0166664 -0.0245258 -0.1012503 -0.0123135 -1.2926429 17 K 1.1968338 0.0688091 0.0112038 0.0649229 1.1031133 0.1252197 -0.0077658 0.1033599 1.1932639 18 K 1.1968338 -0.0688091 0.0112038 -0.0649229 1.1031133 -0.1252197 -0.0077658 -0.1033599 1.1932639 19 K 1.1968338 0.0688091 0.0112038 0.0649229 1.1031133 0.1252197 -0.0077658 0.1033599 1.1932639 20 K 1.1968338 -0.0688091 0.0112038 -0.0649229 1.1031133 -0.1252197 -0.0077658 -0.1033599 1.1932639 21 K 1.1885527 0.0289499 -0.0104350 0.0277045 1.0790160 0.0876220 0.0000587 0.0735895 1.2589416 22 K 1.1885527 -0.0289499 -0.0104350 -0.0277045 1.0790160 -0.0876220 0.0000587 -0.0735895 1.2589416 23 K 1.1885527 0.0289499 -0.0104350 0.0277045 1.0790160 0.0876220 0.0000587 0.0735895 1.2589416 24 K 1.1885527 -0.0289499 -0.0104350 -0.0277045 1.0790160 -0.0876220 0.0000587 -0.0735895 1.2589416 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000000 (xyx) -0.00000000 (xyx) -0.00000000 (xxy) Max drift of fc2: -0.00000000 (yy) -0.00000000 (yy) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 9 9 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: 0.58, Number of G-points: 301, Lambda: 0.10 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/115) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 115 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 1.933 ( 0.000 0.000 0.000) 0.000 2.011 ( 0.000 0.000 0.000) 0.000 2.203 ( 0.000 0.000 0.000) 0.000 2.291 ( 0.000 0.000 0.000) 0.000 2.324 ( 0.000 0.000 0.000) 0.000 2.424 ( 0.000 0.000 0.000) 0.000 2.684 ( 0.000 0.000 0.000) 0.000 2.797 ( 0.000 0.000 0.000) 0.000 2.833 ( 0.000 0.000 0.000) 0.000 3.002 ( 0.000 0.000 0.000) 0.000 3.266 ( 0.000 0.000 0.000) 0.000 3.479 ( 0.000 0.000 0.000) 0.000 3.525 ( 0.000 0.000 0.000) 0.000 3.548 ( 0.000 0.000 0.000) 0.000 3.844 ( 0.000 0.000 0.000) 0.000 4.117 ( 0.000 0.000 0.000) 0.000 4.264 ( 0.000 0.000 0.000) 0.000 4.301 ( 0.000 0.000 0.000) 0.000 4.462 ( 0.000 0.000 0.000) 0.000 4.548 ( 0.000 0.000 0.000) 0.000 4.789 ( 0.000 0.000 0.000) 0.000 5.021 ( 0.000 0.000 0.000) 0.000 5.092 ( 0.000 0.000 0.000) 0.000 5.263 ( 0.000 0.000 0.000) 0.000 5.271 ( 0.000 0.000 0.000) 0.000 5.366 ( 0.000 0.000 0.000) 0.000 5.399 ( 0.000 0.000 0.000) 0.000 5.699 ( 0.000 0.000 0.000) 0.000 5.806 ( 0.000 0.000 0.000) 0.000 6.049 ( 0.000 0.000 0.000) 0.000 6.105 ( 0.000 0.000 0.000) 0.000 6.250 ( 0.000 0.000 0.000) 0.000 6.349 ( 0.000 0.000 0.000) 0.000 7.535 ( 0.000 0.000 0.000) 0.000 7.582 ( 0.000 0.000 0.000) 0.000 8.752 ( 0.000 0.000 0.000) 0.000 8.822 ( 0.000 0.000 0.000) 0.000 9.098 ( 0.000 0.000 0.000) 0.000 9.325 ( 0.000 0.000 0.000) 0.000 12.752 ( 0.000 0.000 0.000) 0.000 12.955 ( 0.000 0.000 0.000) 0.000 13.492 ( 0.000 0.000 0.000) 0.000 13.575 ( 0.000 0.000 0.000) 0.000 14.423 ( 0.000 0.000 0.000) 0.000 14.456 ( 0.000 0.000 0.000) 0.000 15.916 ( 0.000 0.000 0.000) 0.000 15.936 ( 0.000 0.000 0.000) 0.000 16.113 ( 0.000 0.000 0.000) 0.000 16.257 ( 0.000 0.000 0.000) 0.000 16.325 ( 0.000 0.000 0.000) 0.000 16.410 ( 0.000 0.000 0.000) 0.000 18.254 ( 0.000 0.000 0.000) 0.000 18.278 ( 0.000 0.000 0.000) 0.000 18.793 ( 0.000 0.000 0.000) 0.000 19.092 ( 0.000 0.000 0.000) 0.000 19.601 ( 0.000 0.000 0.000) 0.000 19.658 ( 0.000 0.000 0.000) 0.000 21.791 ( 0.000 0.000 0.000) 0.000 21.873 ( 0.000 0.000 0.000) 0.000 23.028 ( 0.000 0.000 0.000) 0.000 23.080 ( 0.000 0.000 0.000) 0.000 26.470 ( 0.000 0.000 0.000) 0.000 27.210 ( 0.000 0.000 0.000) 0.000 27.212 ( 0.000 0.000 0.000) 0.000 27.658 ( 0.000 0.000 0.000) 0.000 30.819 ( 0.000 0.000 0.000) 0.000 30.844 ( 0.000 0.000 0.000) 0.000 33.722 ( 0.000 0.000 0.000) 0.000 33.812 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/115) ======================= q-point: ( 0.11 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.525 ( 18.776 -17.243 10.020) 27.391 0.770 ( 31.031 -20.252 16.883) 40.720 1.421 ( 8.214 -71.581 5.583) 72.267 1.909 ( -4.662 -9.027 -10.258) 14.438 2.111 ( -3.672 7.425 -5.646) 10.024 2.197 ( -0.780 -7.222 4.214) 8.397 2.327 ( -0.917 -2.282 -2.502) 3.508 2.509 ( 0.411 -11.509 -2.899) 11.876 2.536 ( -5.031 -7.390 6.173) 10.864 2.759 ( -1.116 -7.149 -4.352) 8.444 2.843 ( -1.835 -3.960 10.920) 11.760 2.888 ( 4.806 -6.414 5.699) 9.834 3.100 ( 7.385 -1.563 4.594) 8.836 3.299 ( 3.522 -1.608 -1.654) 4.210 3.506 ( 0.817 -3.171 -0.668) 3.342 3.520 ( 0.198 0.847 0.224) 0.899 3.636 ( -2.116 -8.493 1.929) 8.963 3.977 ( 5.023 9.032 9.783) 14.231 4.156 ( -2.997 -0.132 -1.490) 3.350 4.231 ( -1.004 -4.643 -3.116) 5.681 4.322 ( 2.520 -1.275 0.410) 2.854 4.510 ( -2.789 0.561 -0.990) 3.012 4.581 ( -1.680 -14.179 0.820) 14.301 4.897 ( -5.750 -4.017 -1.065) 7.094 5.087 ( 0.675 1.672 0.738) 1.948 5.123 ( -1.304 -13.787 0.276) 13.851 5.264 ( -1.239 2.062 4.140) 4.788 5.277 ( 3.676 -0.886 4.112) 5.586 5.368 ( 1.201 -0.340 -2.353) 2.663 5.624 ( -13.303 -11.809 -0.302) 17.791 5.730 ( -2.321 1.787 -20.108) 20.321 5.792 ( 0.300 0.916 -1.226) 1.559 5.953 ( -11.012 -10.508 -14.354) 20.922 6.264 ( 0.274 0.051 4.595) 4.603 6.393 ( 5.154 6.960 15.134) 17.437 7.114 ( 36.490 23.463 8.021) 44.118 7.617 ( 3.526 -2.088 0.135) 4.100 7.634 ( 6.893 -2.739 -0.853) 7.467 8.841 ( 5.126 0.513 0.492) 5.175 8.855 ( 2.585 -2.118 -0.185) 3.347 9.133 ( 0.140 -3.973 0.963) 4.091 9.364 ( -0.717 0.060 7.141) 7.177 12.746 ( -0.092 1.102 0.978) 1.476 12.937 ( 0.694 3.406 1.451) 3.767 13.434 ( -1.528 6.192 -0.061) 6.378 13.513 ( -1.558 7.838 -1.322) 8.100 14.030 ( 0.243 49.910 -0.923) 49.919 14.040 ( 0.702 46.406 1.118) 46.424 15.918 ( -2.455 -2.101 0.198) 3.237 15.951 ( -0.653 -2.223 -0.018) 2.317 16.335 ( -0.190 -1.542 -0.071) 1.556 16.405 ( -0.222 -29.313 0.733) 29.323 16.445 ( 0.883 -5.423 -0.452) 5.513 16.856 ( -16.633 -39.720 -7.924) 43.785 18.292 ( 2.190 -0.234 -0.160) 2.208 18.398 ( 17.505 11.500 -1.740) 21.017 18.802 ( -1.012 2.262 6.358) 6.823 19.074 ( -0.713 1.885 0.140) 2.020 19.553 ( 0.425 6.956 -0.041) 6.969 19.596 ( -0.325 7.080 -0.316) 7.095 21.783 ( -0.223 0.860 0.020) 0.888 21.909 ( -2.065 1.741 -1.049) 2.897 23.154 ( 0.253 -15.271 -0.246) 15.275 24.547 ( -80.517 -73.521 -48.364) 119.278 26.513 ( -6.296 0.138 16.314) 17.488 27.258 ( 3.701 -3.044 0.785) 4.856 27.604 ( -4.170 3.396 -0.994) 5.469 27.873 ( 47.708 38.175 15.148) 62.951 30.900 ( 1.945 -8.533 0.594) 8.772 30.916 ( 1.227 -8.122 -0.623) 8.238 33.705 ( 0.658 2.535 -0.038) 2.619 34.766 ( -56.790 -42.308 -30.071) 76.937 ======================= Grid point 2 (3/115) ======================= q-point: ( 0.22 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.035 ( 16.748 -16.623 8.984) 25.249 1.441 ( 25.416 -13.843 14.216) 32.244 1.848 ( -3.939 10.272 -0.120) 11.002 1.999 ( -2.918 -12.991 -10.507) 16.961 2.093 ( -3.801 -8.580 -8.047) 12.362 2.297 ( -3.535 -9.409 -2.162) 10.281 2.431 ( 1.357 -12.318 2.422) 12.627 2.622 ( -1.420 -7.462 -1.033) 7.666 2.712 ( 5.028 -5.535 0.331) 7.485 2.876 ( -5.781 -3.764 5.843) 9.041 3.054 ( 2.498 -21.548 7.724) 23.026 3.178 ( 3.483 -6.164 2.196) 7.413 3.203 ( 13.072 -4.882 7.477) 15.831 3.360 ( 4.086 -3.785 -2.674) 6.178 3.498 ( -1.397 1.956 2.083) 3.181 3.631 ( 3.166 -9.579 3.800) 10.780 3.728 ( -1.039 -6.036 1.988) 6.439 3.923 ( -1.728 4.052 1.196) 4.565 4.055 ( -4.196 4.691 1.121) 6.393 4.270 ( 0.339 1.014 -4.308) 4.438 4.386 ( 0.167 -3.976 1.338) 4.199 4.494 ( -2.445 -3.561 3.764) 5.730 4.764 ( -1.199 -8.166 -8.594) 11.915 4.873 ( -3.947 -2.565 -2.835) 5.495 5.051 ( -1.186 3.740 1.946) 4.379 5.194 ( 0.761 0.537 0.116) 0.938 5.242 ( 0.411 1.858 1.215) 2.257 5.370 ( 0.545 -0.339 -3.805) 3.858 5.505 ( -2.885 1.019 -14.719) 15.034 5.607 ( -4.204 -0.381 -3.868) 5.725 5.760 ( 0.976 -7.861 5.037) 9.387 5.868 ( -3.317 -37.760 3.045) 38.027 6.085 ( -2.124 -26.925 0.141) 27.009 6.323 ( 1.445 -4.529 1.391) 4.953 6.388 ( 3.957 5.960 9.963) 12.265 7.265 ( 5.045 -17.083 -6.248) 18.877 7.710 ( 3.936 -4.181 1.424) 5.916 7.793 ( 8.447 -7.371 -0.597) 11.227 8.914 ( 1.419 -4.821 0.535) 5.054 8.931 ( 0.990 -5.087 -0.376) 5.196 9.224 ( 0.298 -6.254 1.403) 6.416 9.406 ( -0.659 -2.510 2.824) 3.835 12.726 ( -0.523 2.025 1.496) 2.571 12.882 ( 0.726 7.627 2.225) 7.978 13.072 ( 0.388 69.203 -1.632) 69.224 13.089 ( -1.412 63.661 0.045) 63.677 13.293 ( -1.718 9.571 -0.413) 9.733 13.387 ( -0.276 17.904 0.440) 17.912 15.929 ( -3.151 -2.961 0.170) 4.328 15.983 ( -1.171 -3.091 0.035) 3.306 16.364 ( -0.230 -2.493 -0.169) 2.509 16.518 ( 0.063 -5.412 0.459) 5.431 16.932 ( 0.288 -34.021 0.666) 34.029 17.274 ( -7.792 -33.753 -3.445) 34.812 18.326 ( 3.288 -0.341 -0.310) 3.320 18.399 ( 7.755 5.068 -1.056) 9.325 18.789 ( -0.219 1.835 2.690) 3.264 19.024 ( -1.190 3.207 -0.126) 3.423 19.393 ( 0.729 13.664 0.154) 13.684 19.469 ( -0.160 8.650 -0.478) 8.665 21.761 ( -0.366 1.401 -0.091) 1.451 21.850 ( -1.043 2.630 -0.546) 2.881 23.446 ( 0.041 -20.791 0.082) 20.791 24.532 ( -36.193 -32.275 -21.082) 52.878 26.551 ( -0.495 -0.938 7.725) 7.797 27.360 ( 2.951 -3.144 -2.584) 5.027 27.480 ( -4.229 4.015 1.225) 5.958 27.892 ( 20.863 15.947 7.507) 27.312 31.094 ( 2.150 -12.922 -0.608) 13.113 31.107 ( 2.811 -13.044 0.616) 13.357 33.661 ( 1.055 4.349 0.420) 4.494 34.585 ( -27.683 -10.792 -14.960) 33.265 ======================= Grid point 3 (4/115) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.428 ( 7.767 -5.199 3.923) 10.136 1.667 ( 6.303 -0.549 0.508) 6.348 1.859 ( -0.024 -4.031 4.921) 6.361 2.092 ( 1.796 -1.876 -3.198) 4.120 2.165 ( 5.966 -13.318 -4.014) 15.136 2.319 ( -1.365 -1.408 -1.690) 2.588 2.606 ( -4.289 -7.631 3.972) 9.613 2.723 ( -1.014 -8.414 -3.166) 9.048 2.809 ( 2.155 -1.983 3.369) 4.464 2.888 ( 1.288 0.623 0.832) 1.655 3.142 ( -0.800 3.487 1.800) 4.005 3.317 ( -3.586 -0.182 1.910) 4.067 3.392 ( 6.122 -4.889 2.054) 8.099 3.470 ( 0.416 0.072 3.339) 3.365 3.515 ( 7.486 -5.783 -3.865) 10.219 3.817 ( 2.036 -4.465 4.643) 6.756 3.847 ( -0.253 0.468 -3.145) 3.190 3.937 ( -2.821 1.303 1.111) 3.300 3.993 ( -3.908 -15.893 8.235) 18.322 4.204 ( 0.077 2.407 -2.464) 3.445 4.442 ( 0.814 -1.330 2.431) 2.888 4.587 ( 1.197 -4.089 3.659) 5.616 4.704 ( -3.038 2.525 -6.165) 7.322 4.881 ( -1.281 -3.533 -6.497) 7.505 4.981 ( -3.175 3.656 3.035) 5.715 5.199 ( 3.128 2.151 1.732) 4.173 5.241 ( 1.848 -0.828 -2.832) 3.481 5.328 ( -2.883 -0.948 -5.133) 5.963 5.442 ( -0.145 -1.857 -5.070) 5.401 5.550 ( -1.876 0.916 -0.735) 2.214 5.758 ( -0.556 0.917 -2.010) 2.278 6.029 ( -3.083 2.628 5.224) 6.611 6.293 ( -0.935 4.505 4.294) 6.293 6.474 ( 9.911 2.810 2.256) 10.546 7.128 ( 3.341 -66.131 0.890) 66.221 7.755 ( 1.105 -35.872 -2.031) 35.946 7.877 ( 1.648 -21.365 -2.291) 21.550 8.128 ( -2.809 -46.039 -2.365) 46.185 9.010 ( 0.634 -5.087 0.247) 5.132 9.020 ( 0.360 -5.693 -0.222) 5.709 9.331 ( 0.384 -5.716 1.147) 5.842 9.451 ( -0.684 -2.561 1.253) 2.932 11.844 ( -0.072 84.985 -1.241) 84.994 11.929 ( 1.666 84.643 1.362) 84.670 12.694 ( -1.156 2.161 1.519) 2.883 12.827 ( 1.368 5.635 2.118) 6.173 13.137 ( -1.604 7.728 -0.201) 7.895 13.179 ( -1.883 9.383 -1.095) 9.633 15.940 ( -2.684 -2.368 0.086) 3.580 16.016 ( -1.052 -2.475 0.083) 2.691 16.398 ( -0.198 -2.260 -0.174) 2.275 16.601 ( 0.167 -4.557 0.557) 4.594 17.421 ( 0.142 -27.575 1.091) 27.597 17.640 ( -4.644 -23.676 -1.812) 24.195 18.363 ( 2.884 -0.203 -0.407) 2.919 18.396 ( 3.709 2.757 -0.631) 4.665 18.774 ( 0.005 1.387 1.188) 1.826 18.957 ( -1.058 3.413 -0.505) 3.608 19.184 ( 0.523 13.661 0.151) 13.672 19.329 ( 0.356 8.858 -0.257) 8.869 21.737 ( -0.239 1.012 -0.088) 1.043 21.807 ( -0.308 1.753 -0.229) 1.795 23.743 ( -0.214 -16.516 0.443) 16.524 24.521 ( -18.101 -15.946 -10.202) 26.192 26.619 ( 2.058 -1.787 5.332) 5.988 27.261 ( -6.533 4.103 -5.844) 9.678 27.530 ( 4.327 -2.623 3.002) 5.883 27.915 ( 10.112 7.306 4.262) 13.183 31.315 ( 1.869 -12.466 -0.718) 12.625 31.337 ( 2.607 -11.380 0.727) 11.697 33.607 ( 1.049 4.417 0.970) 4.642 34.361 ( -15.492 -0.194 -8.544) 17.693 ======================= Grid point 4 (5/115) ======================= q-point: ( 0.44 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.420 ( 0.212 2.868 -0.217) 2.884 1.841 ( -1.572 -1.423 -3.142) 3.790 1.921 ( 7.447 -8.274 4.333) 11.946 2.087 ( -2.519 2.128 -0.611) 3.354 2.271 ( -2.365 -0.305 -0.117) 2.388 2.455 ( 10.807 -6.130 0.514) 12.435 2.612 ( -6.415 0.682 0.739) 6.494 2.770 ( -3.034 -2.886 -0.322) 4.199 2.894 ( 2.173 0.579 1.432) 2.666 2.925 ( 4.934 -4.171 -1.480) 6.628 3.085 ( -1.629 2.074 0.667) 2.720 3.201 ( -5.517 4.533 1.145) 7.231 3.483 ( -0.043 -1.296 1.002) 1.639 3.560 ( 6.733 -2.646 -0.194) 7.237 3.630 ( 3.593 -4.174 -2.222) 5.938 3.755 ( -6.515 4.839 1.440) 8.242 3.853 ( -0.088 0.609 -0.859) 1.057 3.961 ( 1.642 -3.898 1.617) 4.528 4.113 ( -1.447 1.681 3.318) 3.991 4.256 ( -0.273 -6.775 -1.288) 6.902 4.472 ( 0.793 0.206 1.712) 1.898 4.629 ( -1.173 0.523 -2.143) 2.498 4.643 ( 0.340 -0.350 1.674) 1.743 4.884 ( 3.184 -0.751 -6.264) 7.067 4.919 ( -4.453 1.402 4.293) 6.342 5.217 ( 2.966 1.268 2.289) 3.955 5.247 ( -0.531 -1.187 -4.813) 4.985 5.317 ( -1.162 -1.493 0.505) 1.958 5.456 ( 0.413 -2.360 -3.823) 4.512 5.531 ( 0.042 0.900 1.630) 1.863 5.722 ( -1.238 0.808 -0.859) 1.709 5.967 ( -1.247 3.171 2.516) 4.236 6.256 ( -0.436 1.329 1.193) 1.838 6.482 ( 3.819 3.887 -0.124) 5.451 7.616 ( 2.206 -5.918 -0.131) 6.317 7.942 ( 2.002 -2.198 0.249) 2.983 8.917 ( 0.089 -82.697 0.746) 82.701 9.063 ( -0.739 -14.128 -0.272) 14.150 9.085 ( 0.211 -5.630 -0.220) 5.639 9.213 ( -5.150 -77.756 -3.369) 77.999 9.406 ( 0.222 -2.899 0.449) 2.942 9.482 ( -0.653 -3.129 0.375) 3.219 10.481 ( 0.003 88.735 -1.209) 88.743 10.596 ( 3.487 92.196 2.463) 92.295 12.663 ( -0.669 1.036 0.532) 1.343 12.784 ( 0.614 2.280 0.885) 2.522 13.038 ( -0.587 3.063 0.051) 3.119 13.058 ( -0.806 3.417 -0.608) 3.563 15.945 ( -1.059 -0.884 0.019) 1.380 16.035 ( -0.416 -0.928 0.045) 1.018 16.421 ( -0.078 -0.898 -0.073) 0.905 16.656 ( 0.095 -1.782 0.269) 1.805 17.746 ( 0.236 -11.938 0.577) 11.954 17.856 ( -1.953 -9.196 -0.572) 9.418 18.382 ( 1.074 0.231 -0.159) 1.110 18.391 ( 1.224 0.927 -0.236) 1.553 18.763 ( 0.006 0.477 0.339) 0.585 18.897 ( -0.309 2.656 -0.425) 2.708 19.028 ( 0.091 5.747 0.094) 5.748 19.226 ( 0.301 4.152 -0.048) 4.163 21.726 ( -0.057 0.287 -0.021) 0.293 21.786 ( -0.029 0.611 -0.058) 0.615 23.922 ( -0.136 -6.172 0.259) 6.179 24.515 ( -5.627 -4.933 -3.110) 8.104 26.695 ( 1.840 -1.322 2.757) 3.569 27.121 ( -3.539 2.288 -3.108) 5.236 27.607 ( 1.821 -1.147 0.946) 2.351 27.930 ( 3.063 2.145 1.453) 4.012 31.474 ( 0.652 -5.923 -0.610) 5.990 31.485 ( 1.177 -3.912 0.610) 4.131 33.569 ( 0.509 1.908 0.607) 2.066 34.199 ( -5.312 1.226 -2.977) 6.212 ======================= Grid point 10 (6/115) ======================= q-point: ( 0.11 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 115 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.736 ( 23.717 0.000 17.790) 29.648 0.787 ( 24.932 0.000 17.430) 30.421 1.296 ( 44.305 0.000 25.495) 51.117 1.668 ( -3.643 -0.000 -17.129) 17.512 1.994 ( -8.259 -0.000 -7.001) 10.827 2.202 ( 1.639 0.000 3.472) 3.840 2.277 ( -2.219 -0.000 -8.382) 8.671 2.436 ( -6.910 -0.000 12.691) 14.450 2.441 ( 0.279 0.000 4.604) 4.612 2.685 ( -3.295 -0.000 2.782) 4.313 2.772 ( -4.955 -0.000 2.595) 5.594 2.973 ( 15.267 0.000 1.165) 15.312 3.242 ( 11.981 0.000 8.043) 14.431 3.323 ( 5.931 0.000 -7.072) 9.230 3.487 ( 1.388 0.000 -2.837) 3.158 3.508 ( -3.527 -0.000 3.262) 4.804 3.563 ( 4.113 0.000 2.526) 4.827 4.049 ( -4.990 -0.000 -2.036) 5.389 4.149 ( -13.646 -0.000 12.634) 18.597 4.227 ( -3.382 -0.000 0.323) 3.397 4.323 ( 0.339 0.000 3.135) 3.154 4.425 ( 2.046 0.000 -8.866) 9.099 4.505 ( -1.791 -0.000 -1.647) 2.433 4.754 ( -2.995 -0.000 0.267) 3.007 5.027 ( -2.406 -0.000 2.426) 3.417 5.102 ( 0.478 0.000 -0.170) 0.507 5.308 ( 4.411 0.000 -4.834) 6.544 5.312 ( -2.438 -0.000 5.845) 6.334 5.368 ( -2.680 -0.000 3.323) 4.269 5.381 ( 1.521 0.000 -0.255) 1.542 5.597 ( -15.823 -0.000 -20.647) 26.013 5.689 ( -1.373 -0.000 -9.671) 9.768 5.816 ( 3.239 0.000 -5.449) 6.339 6.268 ( -0.769 -0.000 2.058) 2.197 6.553 ( -4.404 -0.000 17.869) 18.404 7.529 ( 7.135 0.000 -22.507) 23.611 7.708 ( 15.783 0.000 0.815) 15.804 7.803 ( 0.625 0.000 8.718) 8.741 8.826 ( 0.323 0.000 -0.312) 0.449 8.964 ( 1.222 0.000 -7.977) 8.070 9.111 ( 0.146 0.000 1.877) 1.883 9.436 ( -8.487 -0.000 11.979) 14.681 12.763 ( 0.044 0.000 1.744) 1.745 12.988 ( 1.292 0.000 3.081) 3.341 13.427 ( -4.956 -0.000 -1.630) 5.217 13.527 ( -5.704 -0.000 -3.710) 6.805 14.453 ( 0.630 0.000 -1.889) 1.991 14.483 ( 3.450 0.000 2.658) 4.355 15.863 ( -5.506 -0.000 -0.486) 5.527 15.871 ( -4.267 -0.000 -0.314) 4.278 16.148 ( 2.346 0.000 -0.117) 2.349 16.245 ( -1.226 -0.000 0.748) 1.436 16.342 ( 1.476 0.000 -1.286) 1.957 16.418 ( 0.497 0.000 0.243) 0.553 18.324 ( 4.127 0.000 -0.331) 4.141 18.632 ( 8.955 0.000 -17.075) 19.281 18.904 ( -6.517 -0.000 12.364) 13.976 19.080 ( -1.370 -0.000 0.462) 1.446 19.614 ( 0.856 0.000 0.420) 0.954 19.659 ( 0.189 0.000 -0.203) 0.278 21.792 ( 0.258 0.000 -0.338) 0.425 21.857 ( -1.381 -0.000 -0.175) 1.392 23.032 ( 0.764 0.000 -0.746) 1.068 23.101 ( 1.473 0.000 0.717) 1.638 26.538 ( -2.920 -0.000 10.577) 10.973 27.297 ( 6.499 0.000 -0.254) 6.504 27.559 ( -7.357 -0.000 -0.089) 7.358 28.515 ( -0.721 -0.000 -5.478) 5.525 30.866 ( 2.549 0.000 -1.206) 2.819 30.871 ( 4.031 0.000 1.350) 4.251 33.736 ( 1.446 0.000 -0.303) 1.478 33.833 ( 1.792 0.000 0.345) 1.825 ======================= Grid point 11 (7/115) ======================= q-point: ( 0.22 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.135 ( 20.802 -7.353 15.632) 27.040 1.493 ( 15.082 -26.959 8.034) 31.919 1.681 ( -1.927 -15.259 -13.040) 20.164 1.905 ( -0.232 -0.704 -4.159) 4.225 2.008 ( 20.272 -4.878 11.564) 23.843 2.052 ( -1.332 -5.199 -4.056) 6.727 2.313 ( 0.769 -5.885 -5.423) 8.039 2.477 ( -6.394 -5.489 6.468) 10.623 2.639 ( 5.241 -16.218 4.974) 17.755 2.765 ( -4.235 -9.672 12.509) 16.369 2.831 ( 2.325 -8.632 7.696) 11.796 3.168 ( 8.352 -3.931 -0.362) 9.238 3.318 ( 3.951 -0.579 -6.798) 7.884 3.402 ( 10.148 0.110 -0.909) 10.189 3.490 ( 2.201 -2.975 -1.248) 3.905 3.596 ( 0.110 -5.713 5.299) 7.793 3.679 ( 5.763 -3.584 8.847) 11.150 3.958 ( -11.636 3.760 7.642) 14.420 4.058 ( -4.747 -1.293 -2.404) 5.475 4.165 ( -0.217 -2.922 -6.574) 7.197 4.357 ( -2.326 -1.903 4.275) 5.226 4.425 ( 1.741 1.714 -7.702) 8.080 4.532 ( -0.412 -12.013 -3.044) 12.399 4.776 ( -4.681 -3.678 -0.727) 5.998 5.035 ( -4.988 -3.732 0.238) 6.235 5.123 ( -0.428 -2.029 0.319) 2.098 5.265 ( -2.033 1.266 -11.611) 11.856 5.319 ( -4.047 0.036 -7.052) 8.131 5.406 ( -1.534 -0.273 -1.938) 2.487 5.431 ( -1.342 -14.515 4.771) 15.337 5.489 ( -0.390 -10.088 2.737) 10.460 5.651 ( -3.898 -9.555 -5.897) 11.886 5.809 ( 2.178 0.911 -4.621) 5.189 6.277 ( -0.744 -1.242 1.418) 2.026 6.522 ( -8.551 4.741 11.654) 15.212 7.361 ( 5.477 12.122 -19.206) 23.362 7.807 ( 4.681 4.963 8.934) 11.241 7.909 ( 17.047 0.415 4.025) 17.521 8.854 ( -0.019 -3.491 -0.304) 3.504 8.904 ( -1.065 0.802 -0.818) 1.564 9.157 ( 0.356 -3.931 2.186) 4.512 9.398 ( -2.820 0.547 4.689) 5.499 12.762 ( -0.218 1.600 2.342) 2.844 12.995 ( 1.638 3.882 3.914) 5.750 13.331 ( -6.061 3.485 -2.117) 7.305 13.384 ( -6.589 6.685 -3.916) 10.171 14.017 ( 0.512 49.801 -2.360) 49.859 14.119 ( 3.233 47.207 2.913) 47.407 15.838 ( -4.680 -3.595 0.397) 5.915 15.891 ( -4.088 -5.305 -0.750) 6.739 16.317 ( -1.036 -2.821 -0.578) 3.060 16.416 ( -0.005 -20.583 1.975) 20.677 16.468 ( 1.953 -12.811 -1.331) 13.027 16.614 ( -3.378 -35.061 -2.263) 35.296 18.369 ( 4.861 0.339 -0.494) 4.897 18.574 ( 6.811 6.720 -7.535) 12.179 18.857 ( -1.700 4.332 6.811) 8.249 19.050 ( -1.742 1.993 0.404) 2.678 19.571 ( 1.005 6.947 0.288) 7.025 19.590 ( 0.073 8.064 -0.287) 8.070 21.777 ( -0.212 1.334 -0.122) 1.357 21.849 ( -1.968 -0.091 -0.984) 2.202 23.159 ( 0.648 -15.013 -0.682) 15.043 23.506 ( -11.353 -41.310 -6.632) 43.352 26.579 ( 0.052 -0.732 7.197) 7.235 27.321 ( -2.290 0.150 -8.537) 8.840 27.513 ( 0.895 0.879 7.616) 7.719 28.331 ( 3.483 15.374 -0.560) 15.773 30.952 ( 3.184 -7.859 -1.517) 8.614 30.993 ( 5.120 -7.630 1.682) 9.341 33.731 ( 1.766 2.542 -0.078) 3.096 34.031 ( -7.577 -18.055 -4.774) 20.154 ======================= Grid point 12 (8/115) ======================= q-point: ( 0.33 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.519 ( 15.069 -3.254 7.807) 17.280 1.706 ( -0.365 -0.527 -8.394) 8.419 1.778 ( -4.250 -1.538 -0.146) 4.523 1.913 ( 0.739 -12.259 -1.354) 12.355 2.085 ( 1.276 -12.163 -2.383) 12.460 2.354 ( 7.089 -1.244 -0.856) 7.248 2.462 ( 5.563 -8.787 5.758) 11.887 2.552 ( -5.301 -8.164 3.266) 10.268 2.848 ( 0.824 -1.782 6.138) 6.444 2.897 ( 6.994 -4.170 3.183) 8.743 3.180 ( -1.689 3.428 -0.620) 3.872 3.233 ( 3.026 -11.340 7.538) 13.950 3.355 ( 0.904 -4.306 -2.075) 4.865 3.504 ( 4.721 -4.712 -1.670) 6.876 3.574 ( 8.786 0.799 -0.784) 8.857 3.735 ( 1.068 -10.717 4.847) 11.810 3.836 ( 0.468 -0.657 10.079) 10.111 3.881 ( 0.782 -2.307 6.493) 6.935 3.952 ( -7.190 4.489 1.812) 8.668 4.238 ( 4.147 0.418 -8.006) 9.026 4.403 ( -3.358 -5.718 4.820) 8.198 4.478 ( 1.115 -11.650 -2.158) 11.901 4.670 ( 1.904 -3.065 -6.304) 7.264 4.750 ( -4.930 -4.047 -1.496) 6.551 5.004 ( -4.072 1.738 0.557) 4.463 5.132 ( -5.521 -9.197 -14.125) 17.737 5.184 ( 0.218 -2.704 -7.742) 8.203 5.284 ( 0.007 0.968 -0.085) 0.972 5.379 ( -1.703 -0.288 -3.170) 3.610 5.544 ( 1.538 -0.472 -0.235) 1.626 5.769 ( -0.264 1.387 -2.275) 2.678 5.882 ( -0.080 -29.364 5.120) 29.807 6.130 ( 2.624 -50.555 5.127) 50.882 6.333 ( -3.378 -3.792 3.743) 6.309 6.439 ( -5.101 -9.759 2.681) 11.334 7.151 ( -3.119 -0.910 -15.483) 15.820 7.845 ( 4.831 2.159 4.053) 6.665 8.082 ( 14.038 2.410 5.011) 15.099 8.920 ( -1.086 -5.652 -0.681) 5.796 8.930 ( -0.984 -5.342 0.773) 5.486 9.252 ( 0.540 -5.872 1.685) 6.133 9.411 ( -1.283 -2.240 1.677) 3.079 12.733 ( -0.739 3.249 2.034) 3.904 12.933 ( 0.639 17.528 3.607) 17.907 13.042 ( -1.071 42.058 -1.611) 42.103 13.072 ( -0.347 59.578 -0.228) 59.579 13.195 ( -4.980 6.770 -2.972) 8.914 13.382 ( -0.715 35.798 0.551) 35.809 15.855 ( -3.569 -4.143 0.460) 5.488 15.928 ( -3.531 -5.326 -0.525) 6.411 16.347 ( -0.679 -3.053 -0.821) 3.234 16.529 ( 0.264 -5.346 0.829) 5.416 16.954 ( 1.018 -33.435 0.576) 33.455 17.118 ( -3.665 -34.899 -2.194) 35.159 18.406 ( 4.187 0.987 -0.571) 4.339 18.510 ( 4.862 5.913 -2.896) 8.185 18.820 ( -0.295 3.088 3.303) 4.531 18.992 ( -1.497 3.081 0.022) 3.425 19.405 ( 0.263 13.819 -0.198) 13.823 19.468 ( 0.267 8.687 -0.120) 8.692 21.751 ( -0.371 1.338 -0.147) 1.396 21.818 ( -1.108 0.916 -0.715) 1.606 23.447 ( 0.047 -20.585 -0.128) 20.585 23.912 ( -10.517 -32.197 -5.974) 34.394 26.644 ( 1.693 -1.634 5.257) 5.760 27.185 ( -7.742 1.509 -8.387) 11.514 27.598 ( 5.950 0.625 6.402) 8.762 28.163 ( 2.934 11.507 0.762) 11.899 31.139 ( 2.947 -12.358 -1.353) 12.777 31.206 ( 4.832 -10.904 1.540) 12.026 33.696 ( 1.500 4.468 0.425) 4.732 34.111 ( -7.596 -7.994 -4.711) 11.992 ======================= Grid point 13 (9/115) ======================= q-point: ( 0.44 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.462 ( -2.675 5.701 -4.786) 7.910 1.771 ( 1.455 -4.828 -5.057) 7.142 1.922 ( 8.973 -6.379 4.521) 11.902 2.072 ( 1.842 -4.537 4.255) 6.487 2.195 ( -1.298 -5.024 -2.380) 5.709 2.445 ( -1.545 -6.320 0.157) 6.508 2.570 ( -5.078 -2.524 2.684) 6.274 2.632 ( -0.772 -4.542 2.883) 5.435 2.928 ( 7.511 0.646 1.225) 7.637 2.992 ( 1.963 0.193 0.358) 2.005 3.095 ( -2.180 3.567 3.694) 5.578 3.287 ( 1.737 4.507 2.671) 5.520 3.416 ( 0.644 -4.564 -2.873) 5.431 3.586 ( 2.423 -2.871 -0.628) 3.809 3.627 ( 5.503 -0.103 -2.317) 5.972 3.779 ( -6.222 5.948 0.586) 8.628 3.840 ( -0.681 -1.068 1.949) 2.325 3.984 ( 4.088 0.738 5.397) 6.810 4.077 ( 1.499 -14.602 6.274) 15.963 4.207 ( 4.335 4.255 -3.311) 6.918 4.486 ( -2.591 -5.330 5.569) 8.133 4.593 ( 1.640 -1.690 -5.230) 5.736 4.624 ( -2.034 1.568 0.555) 2.628 4.814 ( 0.340 -6.733 -2.309) 7.126 4.928 ( -4.180 2.916 2.190) 5.547 5.162 ( 0.171 -5.671 -9.832) 11.351 5.216 ( -0.923 -4.968 -2.901) 5.826 5.275 ( 0.453 -0.652 -1.188) 1.429 5.369 ( 0.296 -3.330 -5.891) 6.774 5.578 ( 2.640 0.329 3.081) 4.071 5.715 ( -2.426 2.301 -0.074) 3.345 6.033 ( -1.263 2.942 2.698) 4.187 6.263 ( -5.752 1.751 4.241) 7.357 6.604 ( 2.215 6.739 -4.630) 8.470 7.205 ( 2.836 -68.137 0.317) 68.197 7.617 ( -6.630 -75.293 -4.435) 75.714 7.915 ( 2.815 -9.815 0.027) 10.211 8.228 ( 7.825 -7.904 4.643) 12.053 8.996 ( -1.325 -6.144 -0.613) 6.315 9.020 ( -0.985 -6.234 0.648) 6.345 9.352 ( 0.449 -5.053 0.765) 5.130 9.446 ( -0.687 -2.582 0.553) 2.729 11.826 ( -0.125 84.660 -1.352) 84.671 12.008 ( 3.696 82.788 2.539) 82.909 12.686 ( -1.108 2.932 1.460) 3.457 12.884 ( 1.413 7.260 2.137) 7.699 13.058 ( -4.381 3.524 -1.550) 5.832 13.103 ( -3.510 6.566 -1.729) 7.644 15.892 ( -1.861 -3.962 0.521) 4.408 15.970 ( -2.795 -4.817 -0.483) 5.591 16.383 ( -0.577 -2.933 -0.798) 3.094 16.611 ( 0.130 -4.250 0.449) 4.276 17.441 ( 0.642 -27.067 0.576) 27.080 17.548 ( -2.029 -25.845 -1.184) 25.952 18.419 ( 2.549 1.728 -0.475) 3.116 18.461 ( 3.003 4.785 -0.798) 5.705 18.791 ( 0.074 2.315 1.644) 2.840 18.934 ( -0.643 2.715 -0.161) 2.794 19.185 ( -0.209 13.799 -0.398) 13.806 19.330 ( -0.173 8.604 -0.227) 8.609 21.731 ( -0.211 0.719 -0.108) 0.757 21.793 ( -0.573 0.733 -0.418) 1.020 23.740 ( -0.338 -16.548 0.102) 16.551 24.225 ( -4.025 -22.501 -2.189) 22.963 26.704 ( 0.376 -0.818 1.796) 2.009 27.068 ( -4.000 -0.966 -4.165) 5.855 27.660 ( 3.855 2.348 3.440) 5.676 28.036 ( -0.032 7.902 0.126) 7.903 31.347 ( 1.896 -11.217 -0.967) 11.417 31.415 ( 3.366 -8.445 1.171) 9.166 33.634 ( 0.548 5.042 0.269) 5.078 34.117 ( -2.352 -3.962 -1.639) 4.890 ======================= Grid point 14 (10/115) ======================= q-point: (-0.44 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.373 ( -2.199 -0.892 -2.882) 3.733 1.850 ( 4.358 -3.866 -4.155) 7.156 2.019 ( -3.328 11.481 5.391) 13.113 2.077 ( 1.270 -1.255 0.337) 1.817 2.255 ( 3.948 -3.490 -2.862) 5.996 2.467 ( -8.051 1.818 4.748) 9.522 2.578 ( -1.893 -6.675 1.921) 7.200 2.726 ( 2.373 -6.052 -1.437) 6.658 2.920 ( -1.865 3.694 -0.619) 4.184 2.978 ( 0.644 2.771 -0.725) 2.936 3.080 ( -0.924 2.336 4.827) 5.442 3.271 ( 6.396 2.710 0.977) 7.014 3.455 ( 2.864 -1.358 -7.054) 7.733 3.586 ( -4.238 5.871 2.669) 7.717 3.652 ( -1.507 0.673 0.928) 1.893 3.722 ( 3.645 -6.090 -2.160) 7.419 3.864 ( 1.076 0.789 2.358) 2.710 3.989 ( -1.624 1.905 0.982) 2.689 4.155 ( 4.047 5.290 -3.376) 7.467 4.287 ( 2.350 -5.843 3.972) 7.446 4.513 ( 1.146 2.798 -0.285) 3.037 4.584 ( -2.066 -0.250 -4.168) 4.658 4.638 ( 1.295 -2.671 3.954) 4.944 4.869 ( -5.428 -0.781 6.278) 8.336 4.898 ( 2.971 -3.522 -4.351) 6.337 5.157 ( -2.457 -0.488 -2.528) 3.558 5.248 ( -1.307 -2.769 -4.626) 5.547 5.308 ( 1.627 -1.415 0.556) 2.227 5.422 ( 1.115 -5.284 -3.480) 6.425 5.583 ( -1.007 4.451 3.811) 5.946 5.694 ( 0.698 -2.825 0.190) 2.916 5.976 ( -0.078 2.706 0.146) 2.711 6.226 ( -3.244 -0.554 1.932) 3.816 6.437 ( -4.762 5.448 -4.841) 8.706 7.674 ( 2.380 0.568 0.794) 2.572 8.009 ( 3.199 2.282 0.725) 3.996 8.939 ( 0.552 -78.679 1.647) 78.698 9.003 ( -1.899 -48.364 -1.317) 48.419 9.074 ( -0.900 -5.750 -0.041) 5.820 9.136 ( -2.131 -49.853 -0.049) 49.898 9.411 ( 0.027 -1.803 -0.131) 1.808 9.476 ( -0.095 -1.851 -0.041) 1.854 10.466 ( -0.116 88.537 -1.049) 88.543 10.732 ( 5.479 90.238 3.544) 90.473 12.654 ( -0.418 0.430 0.171) 0.624 12.808 ( 0.704 4.844 0.565) 4.928 12.984 ( -3.401 -1.024 -1.308) 3.785 13.026 ( -1.362 -0.384 -0.474) 1.492 15.938 ( 0.061 -2.736 0.473) 2.777 16.006 ( -1.765 -3.318 -0.485) 3.789 16.411 ( -0.413 -1.696 -0.612) 1.850 16.657 ( -0.112 -1.374 -0.090) 1.382 17.753 ( 0.419 -10.883 -0.342) 10.896 17.839 ( 0.455 -12.846 -0.029) 12.855 18.402 ( 0.566 2.277 -0.001) 2.346 18.416 ( 1.202 3.954 0.203) 4.138 18.771 ( 0.083 1.289 0.794) 1.516 18.898 ( 0.538 1.704 0.084) 1.789 19.014 ( -0.968 5.571 -0.587) 5.685 19.220 ( -0.670 4.102 -0.214) 4.162 21.723 ( -0.137 0.040 -0.106) 0.178 21.779 ( -0.384 0.087 -0.215) 0.449 23.918 ( -0.254 -6.410 -0.169) 6.417 24.506 ( 3.998 -14.657 2.280) 15.363 26.674 ( -2.919 1.519 -3.127) 4.540 27.108 ( 2.366 -5.278 1.890) 6.085 27.643 ( 0.464 4.438 0.866) 4.546 27.910 ( -3.901 5.570 -1.493) 6.962 31.479 ( 0.455 -3.986 -0.580) 4.054 31.521 ( 1.250 -0.755 0.766) 1.649 33.568 ( -0.509 2.949 -0.624) 3.057 34.210 ( 5.119 -6.796 2.662) 8.915 ======================= Grid point 15 (11/115) ======================= q-point: (-0.33 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.399 ( -0.131 -3.759 -2.037) 4.277 1.691 ( -10.052 17.429 -0.787) 20.135 1.866 ( -2.232 4.425 -6.955) 8.540 2.121 ( 2.772 -0.538 5.602) 6.274 2.312 ( 0.695 1.394 -1.043) 1.875 2.380 ( 1.754 3.558 7.798) 8.749 2.682 ( 0.538 -4.230 0.288) 4.274 2.766 ( -2.394 6.270 -3.756) 7.691 2.857 ( 3.037 -2.618 -1.516) 4.287 2.904 ( -0.609 6.953 1.762) 7.199 3.067 ( -3.933 -2.538 1.055) 4.798 3.274 ( -3.763 1.883 -5.032) 6.560 3.456 ( -1.359 2.464 0.005) 2.814 3.482 ( 8.990 3.384 -1.963) 9.804 3.611 ( -1.992 6.324 3.066) 7.304 3.805 ( -3.727 -0.157 -1.081) 3.884 3.878 ( 3.088 0.740 1.978) 3.741 3.936 ( 0.296 -0.435 0.466) 0.703 4.131 ( 3.660 -0.143 -5.338) 6.474 4.304 ( 1.297 11.580 2.477) 11.913 4.460 ( 1.680 3.863 -1.854) 4.603 4.538 ( -4.835 -2.642 -3.245) 6.394 4.732 ( 4.124 -2.915 5.671) 7.594 4.919 ( -1.263 -4.220 6.983) 8.256 4.952 ( 3.012 -2.710 -4.204) 5.839 5.120 ( -2.439 -0.464 -2.488) 3.515 5.225 ( -2.733 -0.605 -3.174) 4.232 5.347 ( -0.374 -2.347 2.203) 3.241 5.458 ( -3.171 0.829 3.529) 4.816 5.553 ( 2.776 -1.826 -1.184) 3.527 5.771 ( 2.543 -2.507 1.021) 3.714 5.964 ( 0.720 -1.899 -3.622) 4.152 6.227 ( -1.630 -1.800 0.149) 2.432 6.312 ( -8.406 -0.863 -2.624) 8.848 7.588 ( -0.994 11.807 0.650) 11.866 7.922 ( -0.226 9.976 0.390) 9.986 8.918 ( 0.360 85.043 0.177) 85.044 9.050 ( -0.904 2.708 -0.506) 2.899 9.068 ( -1.133 5.034 -0.012) 5.160 9.393 ( 0.220 6.713 -0.500) 6.736 9.401 ( 4.628 66.980 5.702) 67.381 9.495 ( 1.729 15.343 -1.728) 15.537 10.491 ( -0.107 -89.082 0.775) 89.086 10.529 ( -1.179 -92.691 -0.983) 92.704 12.667 ( 0.321 -2.015 -0.637) 2.137 12.767 ( -0.090 0.618 -0.656) 0.905 13.011 ( -1.946 -6.935 -1.114) 7.289 13.073 ( 0.147 -6.416 0.464) 6.434 15.976 ( 1.287 -0.742 0.248) 1.506 16.025 ( -0.720 -1.157 -0.404) 1.421 16.417 ( -0.206 0.151 -0.340) 0.426 16.649 ( -0.182 1.988 -0.368) 2.030 17.741 ( 0.595 12.746 -0.750) 12.782 17.916 ( 2.500 5.277 0.300) 5.847 18.363 ( -1.122 2.447 0.407) 2.722 18.373 ( -0.654 2.244 0.532) 2.398 18.762 ( 0.022 0.257 0.111) 0.281 18.918 ( 0.952 -3.108 0.741) 3.334 19.007 ( -1.188 -6.457 -0.870) 6.623 19.213 ( -0.729 -4.522 0.009) 4.581 21.726 ( -0.028 -0.625 -0.042) 0.627 21.782 ( -0.254 -1.183 -0.094) 1.214 23.919 ( 0.005 5.908 -0.427) 5.924 24.799 ( 12.701 -8.743 7.166) 17.003 26.595 ( -2.326 1.737 -3.954) 4.905 27.259 ( 4.167 -6.939 3.108) 8.670 27.550 ( -2.338 5.931 -0.926) 6.442 27.756 ( -8.582 4.169 -3.492) 10.160 31.458 ( -0.697 6.228 -0.339) 6.277 31.469 ( -0.421 8.041 0.461) 8.065 33.542 ( -0.764 -1.413 -0.953) 1.867 34.470 ( 11.882 -11.388 6.378) 17.650 ======================= Grid point 16 (12/115) ======================= q-point: (-0.22 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.189 ( -7.176 23.276 -2.123) 24.450 1.404 ( -10.490 12.302 -5.831) 17.187 1.739 ( 0.816 -3.810 -2.396) 4.574 2.212 ( 3.717 0.338 7.537) 8.411 2.269 ( 1.920 5.283 4.954) 7.493 2.422 ( 5.769 3.949 0.768) 7.033 2.564 ( -3.482 10.227 -4.540) 11.718 2.706 ( -2.237 0.670 3.673) 4.352 2.793 ( 0.816 7.988 -0.980) 8.089 2.922 ( 3.508 -0.296 -2.515) 4.327 3.034 ( -9.140 -0.195 -3.596) 9.824 3.130 ( -2.027 3.818 -3.060) 5.296 3.399 ( 0.643 8.449 -0.805) 8.511 3.456 ( -1.781 10.453 1.773) 10.751 3.537 ( 6.622 2.548 -0.525) 7.114 3.690 ( -5.472 5.054 -1.848) 7.674 3.898 ( -0.322 -0.440 2.654) 2.710 3.933 ( 1.100 16.512 -2.408) 16.723 4.047 ( 3.177 3.425 -1.033) 4.785 4.225 ( 0.363 -5.438 -0.172) 5.453 4.425 ( 0.310 2.162 -0.250) 2.199 4.499 ( -2.513 0.398 -2.306) 3.434 4.862 ( 4.312 -1.768 4.808) 6.696 4.983 ( 0.738 2.054 5.396) 5.820 5.001 ( 2.624 -1.817 -3.864) 5.012 5.103 ( -3.199 -4.756 -2.129) 6.114 5.199 ( -1.575 -1.552 -1.024) 2.437 5.393 ( 0.207 0.834 1.543) 1.766 5.471 ( -2.356 -8.731 3.841) 9.825 5.643 ( 3.701 -3.905 1.411) 5.562 5.813 ( 2.656 1.943 4.125) 5.277 5.987 ( -2.104 -5.269 -9.509) 11.073 6.203 ( -4.698 0.817 -0.901) 4.853 6.273 ( -2.498 -3.651 -1.538) 4.684 7.063 ( -1.484 66.464 -0.471) 66.483 7.694 ( -2.477 20.100 0.214) 20.253 7.886 ( -0.167 30.405 1.316) 30.434 8.288 ( 4.417 65.343 3.478) 65.585 8.984 ( -1.076 5.763 -0.270) 5.869 9.003 ( -0.862 4.762 0.060) 4.840 9.314 ( -0.158 6.077 -0.604) 6.109 9.447 ( 0.262 3.071 -0.903) 3.212 11.856 ( 0.027 -85.411 0.509) 85.413 11.899 ( -0.362 -85.667 -0.382) 85.669 12.699 ( 0.456 -1.687 -0.689) 1.878 12.787 ( -0.531 -4.286 -0.900) 4.411 13.131 ( -0.818 -10.828 -0.738) 10.884 13.216 ( 0.654 -10.520 0.541) 10.554 15.986 ( 1.209 1.241 0.014) 1.733 16.020 ( -0.047 1.084 -0.214) 1.106 16.399 ( -0.047 1.756 -0.114) 1.760 16.594 ( -0.084 4.524 -0.249) 4.531 17.414 ( 0.287 28.065 -0.564) 28.072 17.756 ( 3.428 19.176 0.974) 19.505 18.318 ( -1.360 1.770 0.166) 2.239 18.327 ( -2.461 1.852 0.228) 3.089 18.765 ( 0.008 -0.588 -0.392) 0.707 18.983 ( 0.646 -3.408 0.354) 3.486 19.164 ( -0.652 -14.237 -0.362) 14.257 19.326 ( -0.172 -9.699 0.193) 9.702 21.742 ( 0.096 -1.389 0.033) 1.392 21.811 ( 0.043 -2.785 0.034) 2.785 23.741 ( 0.063 16.407 -0.268) 16.409 25.143 ( 19.935 -6.554 11.748) 24.050 26.534 ( -0.318 1.401 -4.198) 4.437 27.407 ( -1.148 3.564 1.003) 3.876 27.428 ( -0.213 -4.202 -1.323) 4.410 27.555 ( -11.969 4.008 -4.248) 13.318 31.287 ( -0.879 13.394 -0.081) 13.423 31.296 ( -0.844 13.158 0.124) 13.185 33.580 ( -0.496 -4.411 -0.484) 4.465 34.858 ( 14.738 -14.011 7.877) 21.808 ======================= Grid point 17 (13/115) ======================= q-point: (-0.11 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 115 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.747 ( 0.000 25.364 0.000) 25.364 0.969 ( 0.000 28.013 0.000) 28.013 1.898 ( -0.000 -12.160 -0.000) 12.160 2.179 ( 0.000 8.526 0.000) 8.526 2.231 ( 0.000 18.627 0.000) 18.627 2.290 ( 0.000 16.726 0.000) 16.726 2.383 ( 0.000 2.806 0.000) 2.806 2.654 ( 0.000 8.813 0.000) 8.813 2.711 ( 0.000 2.775 0.000) 2.775 2.831 ( 0.000 8.646 0.000) 8.646 2.945 ( 0.000 6.542 0.000) 6.542 3.040 ( 0.000 26.845 0.000) 26.845 3.077 ( 0.000 2.206 0.000) 2.206 3.332 ( 0.000 4.856 0.000) 4.856 3.529 ( 0.000 3.024 0.000) 3.024 3.561 ( 0.000 4.111 0.000) 4.111 3.735 ( 0.000 5.838 0.000) 5.838 3.905 ( 0.000 0.813 0.000) 0.813 4.103 ( -0.000 -4.863 -0.000) 4.863 4.291 ( -0.000 -1.714 -0.000) 1.714 4.379 ( 0.000 4.878 0.000) 4.878 4.486 ( -0.000 -2.048 -0.000) 2.048 4.840 ( 0.000 11.270 0.000) 11.270 4.952 ( 0.000 1.308 0.000) 1.308 5.042 ( -0.000 -2.868 -0.000) 2.868 5.173 ( -0.000 -5.466 -0.000) 5.466 5.226 ( -0.000 -2.580 -0.000) 2.580 5.377 ( 0.000 0.956 0.000) 0.956 5.637 ( -0.000 -8.024 -0.000) 8.024 5.675 ( 0.000 25.305 0.000) 25.305 5.796 ( 0.000 18.881 0.000) 18.881 5.883 ( -0.000 -3.435 -0.000) 3.435 6.118 ( 0.000 17.998 0.000) 17.998 6.156 ( 0.000 1.413 0.000) 1.413 6.307 ( -0.000 -2.724 -0.000) 2.724 7.186 ( 0.000 40.619 0.000) 40.619 7.663 ( 0.000 7.184 0.000) 7.184 7.726 ( 0.000 14.405 0.000) 14.405 8.874 ( 0.000 6.723 0.000) 6.723 8.920 ( 0.000 5.270 0.000) 5.270 9.212 ( 0.000 6.379 0.000) 6.379 9.391 ( 0.000 3.643 0.000) 3.643 12.723 ( -0.000 -1.519 -0.000) 1.519 12.860 ( -0.000 -5.315 -0.000) 5.315 13.075 ( -0.000 -72.351 -0.000) 72.351 13.109 ( -0.000 -71.320 -0.000) 71.320 13.297 ( -0.000 -10.891 -0.000) 10.891 13.388 ( -0.000 -10.466 -0.000) 10.466 15.965 ( 0.000 2.290 0.000) 2.290 15.990 ( 0.000 2.501 0.000) 2.501 16.365 ( 0.000 2.270 0.000) 2.270 16.514 ( 0.000 5.322 0.000) 5.322 16.926 ( 0.000 34.373 0.000) 34.373 17.432 ( 0.000 26.180 0.000) 26.180 18.276 ( 0.000 1.675 0.000) 1.675 18.290 ( 0.000 0.972 0.000) 0.972 18.775 ( -0.000 -0.906 -0.000) 0.906 19.038 ( -0.000 -3.115 -0.000) 3.115 19.382 ( -0.000 -13.757 -0.000) 13.757 19.476 ( -0.000 -9.154 -0.000) 9.154 21.766 ( -0.000 -1.463 -0.000) 1.463 21.866 ( -0.000 -3.998 -0.000) 3.998 23.445 ( 0.000 20.827 0.000) 20.827 25.496 ( -0.000 -10.259 -0.000) 10.259 26.495 ( 0.000 1.445 0.000) 1.445 27.274 ( 0.000 5.103 0.000) 5.103 27.342 ( 0.000 6.966 0.000) 6.966 27.559 ( -0.000 -5.824 -0.000) 5.824 31.066 ( 0.000 13.722 0.000) 13.722 31.080 ( 0.000 13.285 0.000) 13.285 33.647 ( -0.000 -4.423 -0.000) 4.423 35.227 ( -0.000 -14.566 -0.000) 14.566 ======================= Grid point 20 (14/115) ======================= q-point: ( 0.22 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 115 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.339 ( 10.008 0.000 4.362) 10.917 1.406 ( 16.390 0.000 10.564) 19.500 1.518 ( 12.169 0.000 -4.235) 12.885 1.788 ( -4.897 -0.000 -4.269) 6.496 2.088 ( -4.750 -0.000 -7.062) 8.511 2.116 ( -0.060 -0.000 -10.869) 10.869 2.360 ( 8.419 0.000 18.856) 20.650 2.508 ( 11.931 0.000 10.682) 16.014 2.513 ( 0.104 0.000 2.400) 2.402 2.735 ( 0.079 0.000 17.418) 17.418 2.801 ( 7.697 0.000 5.291) 9.340 3.226 ( 4.779 0.000 -0.705) 4.831 3.248 ( -0.758 -0.000 -10.022) 10.051 3.467 ( 2.827 0.000 -5.771) 6.426 3.551 ( 0.343 0.000 6.041) 6.050 3.561 ( 16.646 0.000 -4.479) 17.238 3.804 ( 7.128 0.000 10.020) 12.297 3.887 ( -9.406 -0.000 2.664) 9.776 3.942 ( -11.570 -0.000 2.116) 11.762 4.131 ( -5.739 -0.000 -0.570) 5.767 4.347 ( -1.241 -0.000 -7.190) 7.296 4.398 ( 1.820 0.000 7.274) 7.498 4.466 ( 3.624 0.000 -8.545) 9.281 4.688 ( -2.836 -0.000 0.438) 2.870 4.974 ( -2.911 -0.000 1.143) 3.127 5.033 ( -11.821 -0.000 -17.651) 21.244 5.113 ( -0.785 -0.000 1.293) 1.512 5.249 ( 0.909 0.000 -9.635) 9.678 5.286 ( -3.530 -0.000 0.350) 3.547 5.430 ( -0.329 -0.000 -2.652) 2.672 5.496 ( 4.987 0.000 6.634) 8.299 5.568 ( -0.353 -0.000 1.087) 1.143 5.811 ( 1.234 0.000 -3.782) 3.978 6.270 ( -0.857 -0.000 1.383) 1.627 6.490 ( -13.464 -0.000 7.825) 15.573 7.356 ( 0.832 0.000 -23.957) 23.972 7.941 ( 2.414 0.000 8.789) 9.115 8.146 ( 17.461 0.000 7.522) 19.012 8.821 ( -0.731 -0.000 0.008) 0.731 8.874 ( -4.634 -0.000 -0.583) 4.671 9.145 ( 0.552 0.000 2.570) 2.629 9.388 ( -3.877 -0.000 3.305) 5.094 12.790 ( 0.014 0.000 2.681) 2.681 13.071 ( 1.678 0.000 5.069) 5.339 13.261 ( -7.388 -0.000 -2.922) 7.945 13.331 ( -7.222 -0.000 -4.575) 8.549 14.439 ( 0.764 0.000 -3.011) 3.106 14.597 ( 3.668 0.000 2.931) 4.695 15.738 ( -4.657 -0.000 -0.459) 4.680 15.773 ( -4.039 -0.000 -0.304) 4.050 16.187 ( 1.121 0.000 0.139) 1.130 16.227 ( -1.565 -0.000 1.495) 2.164 16.340 ( 0.277 0.000 -2.514) 2.529 16.435 ( 0.740 0.000 0.303) 0.800 18.425 ( 5.277 0.000 -0.723) 5.326 18.630 ( 4.236 0.000 -7.927) 8.988 18.906 ( -2.707 -0.000 5.391) 6.032 19.048 ( -2.061 -0.000 0.758) 2.196 19.641 ( 0.922 0.000 0.568) 1.083 19.660 ( 0.203 0.000 -0.280) 0.346 21.793 ( 0.342 0.000 -0.494) 0.601 21.815 ( -1.854 -0.000 -0.680) 1.975 23.042 ( 1.149 0.000 -1.155) 1.629 23.155 ( 2.425 0.000 1.207) 2.709 26.616 ( 1.099 0.000 5.800) 5.904 27.207 ( -7.987 -0.000 -10.569) 13.247 27.617 ( 6.377 0.000 9.988) 11.850 28.412 ( -3.879 -0.000 -3.238) 5.053 30.918 ( 3.750 0.000 -1.928) 4.217 31.009 ( 6.386 0.000 2.224) 6.762 33.772 ( 2.209 0.000 -0.479) 2.261 33.891 ( 2.892 0.000 0.595) 2.953 ======================= Grid point 21 (15/115) ======================= q-point: ( 0.33 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.507 ( 2.359 -13.332 -7.903) 15.677 1.694 ( -1.514 2.548 -4.659) 5.522 1.735 ( 14.065 -4.311 9.143) 17.321 1.823 ( 1.058 -17.018 -0.935) 17.076 1.881 ( 2.552 2.538 -1.599) 3.938 2.215 ( -0.501 -9.649 -8.809) 13.075 2.420 ( -4.369 -3.798 6.647) 8.814 2.534 ( -0.736 -2.780 4.924) 5.702 2.842 ( 7.715 -10.406 10.053) 16.397 2.961 ( 7.212 -8.526 16.033) 19.539 3.134 ( 0.228 -13.465 1.607) 13.563 3.222 ( 0.814 0.649 -0.643) 1.223 3.246 ( 10.090 -4.881 1.594) 11.321 3.454 ( 2.095 -1.172 -3.012) 3.852 3.636 ( 0.114 -4.016 4.460) 6.002 3.711 ( 7.742 -0.407 -0.596) 7.776 3.822 ( -5.716 -2.110 4.662) 7.672 3.898 ( -1.081 -8.428 0.431) 8.508 3.920 ( -1.902 0.396 5.054) 5.415 4.083 ( 1.708 -7.979 -7.859) 11.329 4.292 ( -4.267 -1.964 -1.603) 4.963 4.418 ( 4.072 2.976 -5.857) 7.730 4.556 ( 2.577 -8.759 3.015) 9.615 4.684 ( -4.270 -0.543 1.885) 4.699 4.876 ( -0.955 -3.641 -16.292) 16.721 4.974 ( -1.680 -0.496 -0.678) 1.879 5.109 ( -0.156 -1.419 -7.096) 7.238 5.248 ( -4.426 -0.907 -1.138) 4.659 5.332 ( 0.749 -6.655 -3.299) 7.465 5.433 ( -1.037 -16.658 -5.345) 17.525 5.592 ( 4.998 -0.954 5.610) 7.574 5.687 ( 1.678 -10.432 8.605) 13.627 5.802 ( 1.001 -1.407 -1.030) 2.011 6.270 ( -0.961 -0.743 0.058) 1.216 6.350 ( -15.152 2.332 6.162) 16.523 7.136 ( -4.334 8.269 -21.003) 22.984 7.985 ( 4.038 3.803 6.194) 8.315 8.334 ( 14.090 3.525 7.462) 16.329 8.830 ( -2.462 -2.718 -0.183) 3.672 8.846 ( -2.839 -3.266 0.760) 4.393 9.194 ( 0.668 -3.576 2.039) 4.170 9.376 ( -2.075 -1.189 1.484) 2.814 12.786 ( -0.277 2.417 2.563) 3.534 13.080 ( 0.499 4.208 4.895) 6.474 13.155 ( -6.438 2.005 -2.945) 7.357 13.195 ( -6.007 4.776 -3.758) 8.545 13.997 ( 0.480 49.869 -2.901) 49.955 14.217 ( 2.815 48.533 2.413) 48.675 15.752 ( -3.388 -4.576 0.510) 5.716 15.790 ( -3.903 -5.889 -0.834) 7.115 16.290 ( -0.799 -3.005 -0.412) 3.137 16.446 ( 0.064 -16.985 2.693) 17.197 16.489 ( 1.670 -16.629 -1.995) 16.831 16.553 ( -1.177 -29.903 -1.286) 29.954 18.466 ( 4.469 1.028 -0.860) 4.666 18.606 ( 3.465 3.204 -4.935) 6.828 18.884 ( -1.186 2.843 3.731) 4.838 19.016 ( -1.792 1.902 0.607) 2.683 19.588 ( 0.196 9.011 -0.229) 9.016 19.596 ( 0.551 6.819 0.326) 6.849 21.770 ( -0.310 1.612 -0.286) 1.666 21.805 ( -1.046 -0.282 -0.856) 1.381 23.165 ( 0.764 -14.499 -0.852) 14.544 23.386 ( -0.247 -23.410 -0.288) 23.413 26.669 ( 1.682 -0.917 4.356) 4.758 27.055 ( -8.312 -0.092 -9.448) 12.585 27.733 ( 6.696 1.738 8.587) 11.026 28.298 ( -2.999 6.511 -1.952) 7.430 31.007 ( 3.443 -7.523 -1.811) 8.470 31.141 ( 6.124 -6.237 2.129) 8.996 33.772 ( 1.969 2.743 -0.243) 3.385 33.964 ( 1.062 -4.482 -0.323) 4.618 ======================= Grid point 22 (16/115) ======================= q-point: ( 0.44 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.467 ( -6.282 6.370 -8.644) 12.440 1.665 ( 2.932 -7.736 -4.470) 9.403 1.966 ( 6.882 -3.959 5.042) 9.405 2.009 ( 1.840 -10.608 1.468) 10.866 2.091 ( 6.493 -10.565 1.332) 12.472 2.286 ( -1.234 -7.787 -5.523) 9.626 2.486 ( -3.155 -1.493 4.258) 5.506 2.594 ( -2.541 -4.362 6.082) 7.904 2.957 ( -4.562 2.111 0.622) 5.065 3.085 ( 5.547 2.929 1.566) 6.465 3.196 ( 3.956 2.573 8.554) 9.770 3.277 ( -1.450 -6.050 -1.904) 6.506 3.412 ( 3.220 -0.500 1.331) 3.520 3.550 ( -1.110 -2.423 1.078) 2.874 3.673 ( 1.475 0.849 -1.463) 2.245 3.785 ( -4.445 -0.557 5.446) 7.052 3.858 ( -0.750 -9.456 -1.109) 9.550 3.882 ( 2.573 0.895 1.843) 3.289 4.096 ( 6.953 -3.274 6.166) 9.853 4.286 ( 6.000 -2.962 -7.567) 10.101 4.339 ( -1.010 -10.157 3.953) 10.945 4.505 ( 0.644 -13.882 -0.063) 13.897 4.635 ( -3.595 1.170 2.522) 4.545 4.710 ( 1.308 -6.361 0.307) 6.502 4.932 ( 4.221 -7.674 -10.900) 13.983 4.939 ( -0.557 -2.561 -3.459) 4.340 5.125 ( 3.849 -4.625 -8.708) 10.585 5.211 ( -4.121 -1.698 -1.107) 4.592 5.325 ( -0.108 -0.557 -4.629) 4.664 5.636 ( 4.267 -0.821 2.785) 5.161 5.728 ( -3.189 2.018 1.880) 4.216 5.970 ( 2.411 -21.418 3.182) 21.787 6.217 ( -11.597 -4.911 5.588) 13.778 6.252 ( 2.555 -49.297 4.582) 49.575 6.351 ( -1.950 -27.619 -1.244) 27.716 6.818 ( -9.691 5.887 -16.932) 20.378 7.986 ( 4.122 5.151 3.014) 7.253 8.425 ( 10.686 6.906 6.138) 14.126 8.872 ( -2.202 -6.286 -0.569) 6.685 8.902 ( -2.251 -6.600 0.528) 6.993 9.280 ( 0.473 -5.260 1.078) 5.390 9.397 ( -1.028 -2.790 0.548) 3.024 12.741 ( -0.502 4.248 1.642) 4.582 12.969 ( -1.457 31.782 1.025) 31.832 12.998 ( -2.193 19.745 0.795) 19.882 13.030 ( -4.113 19.291 0.683) 19.736 13.092 ( 1.498 29.662 -4.086) 29.979 13.377 ( -0.191 56.265 0.478) 56.267 15.800 ( -2.079 -5.254 0.653) 5.688 15.840 ( -3.453 -6.420 -0.709) 7.324 16.323 ( -0.526 -3.122 -0.841) 3.276 16.544 ( 0.233 -4.852 0.609) 4.896 16.981 ( 0.919 -33.173 0.320) 33.188 17.053 ( -1.066 -34.159 -1.010) 34.190 18.477 ( 2.956 2.171 -0.733) 3.741 18.560 ( 2.778 4.413 -2.288) 5.694 18.847 ( -0.222 3.157 2.270) 3.895 18.966 ( -0.969 2.612 0.282) 2.800 19.404 ( -0.023 14.143 -0.276) 14.145 19.469 ( -0.156 9.577 -0.091) 9.578 21.744 ( -0.100 1.292 -0.079) 1.299 21.790 ( -0.741 0.236 -0.628) 1.000 23.445 ( 0.061 -20.137 -0.319) 20.140 23.784 ( -0.744 -28.247 -0.452) 28.260 26.703 ( -0.679 0.333 0.335) 0.827 26.966 ( -3.635 -3.509 -4.214) 6.579 27.789 ( 4.628 4.472 5.531) 8.486 28.147 ( -2.428 8.106 -1.104) 8.534 31.183 ( 2.395 -11.621 -1.288) 11.935 31.330 ( 4.591 -8.617 1.587) 9.892 33.725 ( 0.938 5.283 -0.161) 5.368 34.037 ( 0.978 -4.350 -0.033) 4.459 ======================= Grid point 23 (17/115) ======================= q-point: (-0.44 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.312 ( -4.335 0.635 -4.330) 6.160 1.799 ( 4.775 -5.875 -3.274) 8.248 2.079 ( 1.659 -2.820 2.523) 4.132 2.147 ( 1.975 -3.650 0.858) 4.238 2.288 ( 4.540 2.899 2.990) 6.161 2.367 ( -3.152 -3.381 0.690) 4.674 2.432 ( -1.165 -7.098 -3.817) 8.143 2.675 ( -1.626 -3.623 6.051) 7.238 2.885 ( -5.622 -0.874 2.358) 6.159 3.054 ( 1.408 5.656 -1.199) 5.950 3.200 ( 1.472 6.332 5.581) 8.568 3.315 ( 0.169 -1.227 -5.765) 5.896 3.437 ( 0.138 -0.743 -1.201) 1.419 3.567 ( -2.857 -5.153 5.087) 7.784 3.662 ( 1.314 -0.189 -2.342) 2.692 3.754 ( 6.110 5.835 -1.816) 8.641 3.883 ( -1.183 -0.042 2.192) 2.491 3.947 ( -5.851 -5.136 -3.265) 8.442 4.222 ( 4.086 -1.214 3.829) 5.730 4.303 ( 5.652 3.830 -1.515) 6.993 4.512 ( 2.552 -4.596 5.089) 7.316 4.599 ( 1.260 0.691 -0.865) 1.677 4.644 ( 2.889 -2.175 2.424) 4.354 4.789 ( -4.588 -4.701 2.466) 7.017 4.880 ( 0.132 0.847 -2.608) 2.746 5.084 ( -1.042 -5.002 -4.285) 6.668 5.179 ( 1.038 -0.305 -4.407) 4.538 5.270 ( 3.429 -10.203 -3.863) 11.436 5.328 ( 1.428 -1.984 -1.863) 3.073 5.642 ( -4.402 4.070 3.194) 6.793 5.705 ( 3.483 0.247 2.561) 4.330 5.981 ( -5.302 0.576 0.131) 5.335 6.212 ( -2.200 1.058 3.238) 4.055 6.454 ( -6.598 8.725 -9.768) 14.665 7.250 ( 1.286 -71.534 -0.168) 71.546 7.493 ( -2.195 -85.176 0.013) 85.204 7.984 ( 2.677 -4.499 0.591) 5.269 8.448 ( 6.318 2.522 4.471) 8.140 8.951 ( -1.931 -6.959 -0.742) 7.260 8.992 ( -1.603 -6.749 0.268) 6.942 9.365 ( 0.185 -4.348 0.221) 4.357 9.438 ( -0.380 -3.032 0.130) 3.059 11.811 ( -0.110 84.608 -0.858) 84.612 12.132 ( 4.323 81.498 2.728) 81.658 12.682 ( -0.499 3.402 0.794) 3.529 12.922 ( -0.887 5.736 1.140) 5.915 12.933 ( -3.628 3.700 -2.156) 5.612 13.017 ( -2.301 2.881 -1.021) 3.826 15.873 ( -0.653 -5.409 0.547) 5.476 15.903 ( -2.304 -6.180 -0.532) 6.617 16.363 ( -0.358 -3.105 -0.660) 3.194 16.615 ( -0.045 -3.753 0.074) 3.754 17.457 ( 0.538 -26.452 0.041) 26.457 17.521 ( -0.205 -27.266 -0.204) 27.268 18.455 ( 1.281 3.188 -0.390) 3.458 18.505 ( 1.814 4.884 -0.580) 5.242 18.811 ( 0.110 2.717 1.197) 2.971 18.926 ( -0.092 1.789 0.148) 1.797 19.173 ( -0.354 14.602 -0.373) 14.611 19.316 ( -0.710 8.944 -0.327) 8.978 21.726 ( -0.103 0.794 -0.100) 0.807 21.777 ( -0.410 0.279 -0.287) 0.573 23.733 ( -0.240 -16.396 -0.129) 16.399 24.214 ( 1.605 -26.804 0.933) 26.868 26.648 ( -2.904 1.739 -3.045) 4.553 27.038 ( 1.155 -7.132 0.947) 7.287 27.757 ( 1.869 7.066 2.314) 7.667 27.983 ( -2.810 8.847 -1.008) 9.337 31.370 ( 1.097 -10.169 -0.691) 10.252 31.493 ( 2.421 -5.784 0.927) 6.339 33.635 ( -0.111 6.236 -0.445) 6.253 34.148 ( 3.133 -7.722 1.473) 8.462 ======================= Grid point 24 (18/115) ======================= q-point: (-0.33 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.305 ( -1.146 -4.964 -1.526) 5.319 1.862 ( 1.086 0.351 -3.192) 3.390 1.947 ( -3.241 21.719 0.712) 21.971 2.180 ( 2.537 -0.280 5.273) 5.858 2.282 ( 1.070 -4.147 -3.254) 5.379 2.421 ( -1.786 -4.175 2.905) 5.391 2.596 ( 4.349 -7.979 -0.850) 9.127 2.747 ( -2.567 -3.911 0.874) 4.759 2.862 ( -1.712 0.550 1.860) 2.587 2.962 ( -0.835 4.667 -0.836) 4.814 3.106 ( -0.464 8.419 1.907) 8.645 3.262 ( -2.101 2.323 -4.248) 5.278 3.442 ( -0.117 -1.306 -1.368) 1.895 3.651 ( 0.639 1.089 3.484) 3.705 3.669 ( 5.960 3.805 -0.606) 7.097 3.746 ( -0.664 -2.098 1.125) 2.471 3.905 ( 0.820 -2.822 -0.396) 2.966 3.917 ( -2.910 -0.899 -2.295) 3.814 4.174 ( 0.346 6.994 -1.030) 7.078 4.371 ( 0.763 -5.148 1.251) 5.352 4.508 ( 0.605 5.903 0.833) 5.992 4.577 ( 3.146 6.767 -3.233) 8.133 4.768 ( 4.078 -3.040 6.415) 8.187 4.824 ( -4.130 -7.007 5.193) 9.650 4.899 ( 1.062 -3.453 -4.933) 6.114 5.092 ( -1.088 -2.614 -3.869) 4.794 5.141 ( -2.386 0.204 -2.337) 3.346 5.344 ( 0.896 1.452 0.908) 1.933 5.431 ( 0.278 -5.825 0.660) 5.869 5.553 ( -1.429 2.190 0.240) 2.626 5.757 ( 2.135 -1.699 0.941) 2.886 5.948 ( -1.057 -0.325 -1.371) 1.761 6.185 ( -2.700 -0.055 0.433) 2.735 6.262 ( -3.604 3.669 -2.593) 5.760 7.719 ( 0.919 4.132 0.467) 4.259 8.072 ( 1.598 1.846 0.315) 2.461 8.967 ( 0.320 -86.544 0.801) 86.548 8.996 ( 1.184 -24.836 0.884) 24.880 9.053 ( -0.549 -7.545 -0.260) 7.569 9.080 ( -2.472 -60.502 -0.639) 60.556 9.408 ( -0.052 -0.890 -0.173) 0.909 9.475 ( -0.002 -1.725 -0.076) 1.727 10.455 ( -0.069 88.442 -0.408) 88.443 10.869 ( 3.076 88.224 1.920) 88.299 12.649 ( -0.100 0.459 -0.051) 0.473 12.822 ( 0.269 5.787 0.046) 5.794 12.899 ( -2.285 -3.321 -0.829) 4.116 12.998 ( -0.683 -2.737 -0.149) 2.825 15.947 ( 0.058 -3.994 0.179) 3.998 15.969 ( -0.801 -4.528 -0.212) 4.603 16.398 ( -0.168 -1.940 -0.318) 1.973 16.652 ( -0.119 -1.112 -0.144) 1.127 17.763 ( 0.535 -10.820 -0.157) 10.834 17.851 ( 0.384 -14.651 -0.001) 14.656 18.407 ( 0.011 3.699 0.020) 3.699 18.441 ( 0.668 5.038 0.140) 5.084 18.781 ( 0.078 1.808 0.472) 1.870 18.915 ( 0.673 0.149 0.198) 0.717 18.984 ( -0.907 7.016 -0.454) 7.089 19.201 ( -0.581 3.977 -0.179) 4.023 21.719 ( -0.081 -0.049 -0.073) 0.119 21.770 ( -0.212 -0.041 -0.104) 0.240 23.911 ( -0.121 -6.498 -0.156) 6.501 24.644 ( 3.795 -23.997 2.145) 24.390 26.581 ( -1.634 1.597 -2.050) 3.070 27.183 ( 1.597 -8.317 1.287) 8.566 27.647 ( -0.380 8.757 0.059) 8.765 27.803 ( -2.882 9.850 -0.968) 10.309 31.480 ( 0.133 -2.870 -0.236) 2.883 31.548 ( 0.565 1.461 0.357) 1.606 33.549 ( -0.360 3.607 -0.473) 3.656 34.370 ( 4.343 -14.350 2.278) 15.165 ======================= Grid point 25 (19/115) ======================= q-point: (-0.22 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 115 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.378 ( -0.000 -3.370 -0.000) 3.370 1.553 ( 0.000 24.687 0.000) 24.687 1.782 ( 0.000 7.796 0.000) 7.796 2.234 ( -0.000 -2.213 -0.000) 2.213 2.302 ( -0.000 -0.053 -0.000) 0.053 2.511 ( -0.000 -4.272 -0.000) 4.272 2.655 ( 0.000 9.375 0.000) 9.375 2.702 ( -0.000 -0.728 -0.000) 0.728 2.901 ( 0.000 3.736 0.000) 3.736 2.906 ( -0.000 -4.889 -0.000) 4.889 2.986 ( 0.000 5.599 0.000) 5.599 3.175 ( 0.000 4.747 0.000) 4.747 3.452 ( 0.000 0.186 0.000) 0.186 3.605 ( 0.000 6.762 0.000) 6.762 3.669 ( 0.000 6.067 0.000) 6.067 3.678 ( 0.000 2.699 0.000) 2.699 3.909 ( 0.000 0.597 0.000) 0.597 3.973 ( -0.000 -3.178 -0.000) 3.178 4.131 ( -0.000 -3.657 -0.000) 3.657 4.331 ( 0.000 18.381 0.000) 18.381 4.452 ( -0.000 -3.756 -0.000) 3.756 4.478 ( 0.000 4.950 0.000) 4.950 4.888 ( -0.000 -1.911 -0.000) 1.911 4.915 ( -0.000 -6.820 -0.000) 6.820 4.954 ( -0.000 -6.760 -0.000) 6.760 5.091 ( 0.000 3.354 0.000) 3.354 5.140 ( -0.000 -4.446 -0.000) 4.446 5.340 ( -0.000 -3.213 -0.000) 3.213 5.435 ( 0.000 2.512 0.000) 2.512 5.596 ( -0.000 -5.028 -0.000) 5.028 5.822 ( -0.000 -4.933 -0.000) 4.933 5.919 ( 0.000 2.622 0.000) 2.622 6.185 ( -0.000 -1.406 -0.000) 1.406 6.213 ( -0.000 -0.212 -0.000) 0.212 7.582 ( 0.000 14.077 0.000) 14.077 7.925 ( 0.000 13.601 0.000) 13.601 8.926 ( 0.000 87.509 0.000) 87.509 9.035 ( 0.000 0.983 0.000) 0.983 9.052 ( 0.000 2.288 0.000) 2.288 9.387 ( 0.000 3.315 0.000) 3.315 9.480 ( 0.000 1.025 0.000) 1.025 9.524 ( 0.000 84.302 0.000) 84.302 10.494 ( -0.000 -89.368 -0.000) 89.368 10.512 ( -0.000 -92.551 -0.000) 92.551 12.666 ( -0.000 -2.342 -0.000) 2.342 12.763 ( 0.000 1.743 0.000) 1.743 12.973 ( -0.000 -8.067 -0.000) 8.067 13.077 ( -0.000 -7.681 -0.000) 7.681 15.991 ( -0.000 -1.447 -0.000) 1.447 16.014 ( -0.000 -1.762 -0.000) 1.762 16.412 ( -0.000 -0.032 -0.000) 0.032 16.644 ( 0.000 2.001 0.000) 2.001 17.746 ( 0.000 13.204 0.000) 13.204 17.948 ( 0.000 2.948 0.000) 2.948 18.351 ( 0.000 3.201 0.000) 3.201 18.371 ( 0.000 4.399 0.000) 4.399 18.764 ( 0.000 0.603 0.000) 0.603 18.943 ( -0.000 -2.345 -0.000) 2.345 18.977 ( -0.000 -7.596 -0.000) 7.596 19.204 ( -0.000 -4.905 -0.000) 4.905 21.725 ( -0.000 -0.790 -0.000) 0.790 21.778 ( -0.000 -1.375 -0.000) 1.375 23.916 ( 0.000 5.805 0.000) 5.805 25.027 ( -0.000 -20.516 -0.000) 20.516 26.543 ( 0.000 1.536 0.000) 1.536 27.325 ( -0.000 -8.181 -0.000) 8.181 27.501 ( 0.000 9.001 0.000) 9.001 27.624 ( 0.000 10.203 0.000) 10.203 31.448 ( 0.000 6.948 0.000) 6.948 31.468 ( 0.000 9.057 0.000) 9.057 33.527 ( -0.000 -1.329 -0.000) 1.329 34.673 ( -0.000 -19.124 -0.000) 19.124 ======================= Grid point 30 (20/115) ======================= q-point: ( 0.33 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 115 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.383 ( 7.147 0.000 -8.316) 10.965 1.656 ( -3.403 -0.000 -3.180) 4.657 1.721 ( 6.773 0.000 2.513) 7.225 1.871 ( -5.372 -0.000 -6.987) 8.813 1.895 ( 6.472 0.000 6.016) 8.836 2.096 ( 6.098 0.000 -4.487) 7.571 2.408 ( 1.159 0.000 2.849) 3.076 2.484 ( -2.474 -0.000 0.922) 2.641 2.722 ( -1.632 -0.000 6.500) 6.702 3.047 ( 2.696 0.000 0.302) 2.713 3.056 ( 3.070 0.000 17.157) 17.429 3.226 ( 2.353 0.000 -0.072) 2.354 3.378 ( 4.615 0.000 4.459) 6.417 3.464 ( 2.537 0.000 -4.590) 5.245 3.567 ( -6.055 -0.000 5.576) 8.232 3.727 ( -6.678 -0.000 -1.232) 6.790 3.758 ( -4.010 -0.000 0.046) 4.010 3.871 ( 8.955 0.000 4.281) 9.926 3.954 ( 2.643 0.000 -2.165) 3.416 4.011 ( 1.889 0.000 0.838) 2.066 4.222 ( -2.580 -0.000 -5.815) 6.362 4.458 ( 4.189 0.000 -7.837) 8.886 4.559 ( 0.440 0.000 11.338) 11.346 4.650 ( -1.553 -0.000 0.065) 1.555 4.788 ( 6.997 0.000 -13.822) 15.492 4.997 ( 5.407 0.000 0.804) 5.467 5.052 ( 0.832 0.000 -9.379) 9.416 5.195 ( -4.147 -0.000 0.098) 4.148 5.224 ( 1.811 0.000 -0.566) 1.897 5.323 ( -1.402 -0.000 -4.889) 5.086 5.671 ( 1.258 0.000 7.187) 7.296 5.698 ( 6.307 0.000 5.895) 8.633 5.795 ( -0.100 -0.000 -0.114) 0.151 6.201 ( -14.113 -0.000 -0.706) 14.131 6.281 ( -4.086 -0.000 6.091) 7.335 7.003 ( -8.873 -0.000 -22.072) 23.789 8.087 ( 3.272 0.000 5.281) 6.213 8.528 ( 9.194 0.000 6.043) 11.003 8.774 ( -4.064 -0.000 0.169) 4.067 8.806 ( -0.662 -0.000 1.581) 1.714 9.185 ( 0.612 0.000 1.811) 1.912 9.351 ( -1.823 -0.000 0.873) 2.021 12.819 ( -0.077 -0.000 2.392) 2.393 13.056 ( -7.223 -0.000 -1.298) 7.339 13.142 ( -5.572 -0.000 -3.581) 6.623 13.177 ( 1.958 0.000 3.102) 3.669 14.418 ( 0.486 0.000 -2.844) 2.885 14.693 ( 2.422 0.000 2.003) 3.143 15.671 ( -1.421 -0.000 0.021) 1.421 15.701 ( -2.252 -0.000 -0.330) 2.276 16.198 ( -0.113 -0.000 0.212) 0.241 16.217 ( -1.388 -0.000 2.449) 2.815 16.304 ( -0.230 -0.000 -3.300) 3.308 16.454 ( 0.650 0.000 0.336) 0.732 18.514 ( 3.671 0.000 -1.039) 3.815 18.633 ( 2.407 0.000 -4.110) 4.763 18.910 ( -1.221 -0.000 2.640) 2.909 19.016 ( -1.634 -0.000 0.802) 1.821 19.660 ( 0.058 0.000 -0.206) 0.214 19.662 ( 0.452 0.000 0.436) 0.628 21.772 ( -1.175 -0.000 -0.800) 1.422 21.795 ( 0.247 0.000 -0.411) 0.480 23.053 ( 0.989 0.000 -1.023) 1.423 23.222 ( 2.294 0.000 1.161) 2.571 26.704 ( 1.859 0.000 3.475) 3.941 26.912 ( -7.517 -0.000 -8.777) 11.556 27.867 ( 5.781 0.000 8.116) 9.964 28.294 ( -3.855 -0.000 -2.095) 4.387 30.973 ( 3.144 0.000 -1.776) 3.611 31.172 ( 5.842 0.000 2.116) 6.213 33.813 ( 1.945 0.000 -0.430) 1.992 33.961 ( 2.697 0.000 0.597) 2.762 ======================= Grid point 31 (21/115) ======================= q-point: ( 0.44 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.447 ( -1.171 3.432 -8.445) 9.191 1.583 ( 2.944 -3.717 -1.784) 5.066 1.840 ( -0.898 -9.329 -1.106) 9.437 1.935 ( -0.528 -13.055 -0.659) 13.082 1.982 ( 0.922 -4.183 2.983) 5.220 2.189 ( 5.483 -5.316 -2.888) 8.165 2.480 ( -0.088 -2.338 3.622) 4.312 2.560 ( 6.840 -6.389 2.596) 9.713 2.975 ( -5.370 -8.353 -0.911) 9.972 3.011 ( 0.247 -8.323 7.860) 11.450 3.141 ( -0.474 -4.000 0.121) 4.030 3.342 ( 2.259 2.264 7.580) 8.227 3.394 ( -1.959 -4.771 0.900) 5.236 3.453 ( -1.668 -3.141 -1.890) 4.027 3.605 ( -7.956 -1.726 0.912) 8.192 3.694 ( -2.412 -10.100 -3.582) 10.985 3.724 ( -4.262 -3.884 4.234) 7.154 4.000 ( 4.581 5.960 -0.727) 7.552 4.055 ( 5.185 -12.888 0.758) 13.913 4.065 ( 7.495 -11.333 0.851) 13.614 4.243 ( 1.897 -4.468 -1.646) 5.126 4.439 ( 2.006 0.828 -2.608) 3.393 4.618 ( -3.232 -1.037 6.580) 7.404 4.666 ( -0.523 -3.434 0.013) 3.473 4.832 ( 6.060 -2.681 -9.489) 11.574 4.991 ( 6.788 4.187 -6.435) 10.248 5.085 ( 5.819 -1.667 -5.475) 8.162 5.164 ( 0.293 -0.450 -0.695) 0.879 5.294 ( 1.572 -1.348 -1.810) 2.750 5.433 ( 1.535 -21.334 1.820) 21.466 5.736 ( -2.758 -2.000 6.548) 7.381 5.769 ( 4.060 -0.243 3.990) 5.698 5.877 ( 2.468 -10.891 4.014) 11.867 6.029 ( -15.018 0.185 0.482) 15.026 6.277 ( -1.646 0.547 3.224) 3.661 6.723 ( -11.328 5.572 -18.932) 22.755 8.116 ( 2.856 3.709 3.152) 5.644 8.625 ( 5.820 0.800 4.432) 7.359 8.770 ( -2.054 -3.968 -0.056) 4.469 8.813 ( -0.911 -0.395 0.870) 1.320 9.224 ( 0.284 -3.179 1.077) 3.368 9.352 ( -1.036 -1.760 0.380) 2.077 12.805 ( -0.234 3.100 1.656) 3.522 12.969 ( -5.488 1.260 -1.550) 5.840 13.052 ( -3.548 2.546 -2.123) 4.856 13.174 ( 1.390 5.008 2.693) 5.854 13.974 ( 0.232 50.000 -2.113) 50.045 14.289 ( 1.736 49.257 1.369) 49.307 15.707 ( -1.390 -4.405 0.419) 4.638 15.717 ( -2.033 -4.452 -0.507) 4.920 16.274 ( -0.399 -2.197 -0.173) 2.240 16.474 ( -0.480 -19.447 2.821) 19.657 16.494 ( 1.230 -15.310 -2.329) 15.534 16.526 ( -0.313 -29.656 -0.636) 29.665 18.530 ( 2.342 1.387 -0.846) 2.850 18.620 ( 1.727 2.069 -2.377) 3.594 18.896 ( -0.544 2.026 1.675) 2.684 18.992 ( -0.962 1.635 0.548) 1.974 19.587 ( 0.009 9.073 -0.149) 9.074 19.606 ( 0.095 7.451 0.167) 7.454 21.757 ( -0.378 0.279 -0.326) 0.572 21.786 ( -0.146 0.786 -0.412) 0.900 23.171 ( 0.510 -14.035 -0.597) 14.057 23.407 ( 1.168 -19.222 0.568) 19.266 26.710 ( -1.189 2.414 -0.952) 2.854 26.846 ( -2.408 -4.895 -2.901) 6.178 27.933 ( 3.779 3.482 5.446) 7.487 28.210 ( -2.719 4.591 -1.307) 5.493 31.051 ( 2.138 -7.190 -1.239) 7.602 31.279 ( 4.175 -5.140 1.509) 6.791 33.803 ( 1.193 3.331 -0.300) 3.551 34.006 ( 1.875 -2.093 0.444) 2.845 ======================= Grid point 32 (22/115) ======================= q-point: ( 0.56 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.280 ( -3.251 4.685 -3.576) 6.731 1.745 ( 5.575 -6.667 -0.950) 8.742 1.958 ( -3.407 -11.122 -0.226) 11.634 2.086 ( 1.094 -6.908 1.138) 7.086 2.137 ( -0.959 -13.260 -1.444) 13.373 2.337 ( 4.536 -6.447 -1.894) 8.107 2.488 ( -0.883 3.190 3.521) 4.833 2.706 ( 5.816 4.438 3.395) 8.065 2.855 ( -3.022 1.198 1.450) 3.559 3.122 ( -0.985 2.801 0.993) 3.131 3.207 ( -3.789 -4.847 -0.523) 6.174 3.346 ( 0.459 3.813 4.837) 6.176 3.391 ( -2.499 -1.424 -3.417) 4.466 3.509 ( -2.008 -1.222 1.613) 2.851 3.593 ( -0.818 -9.057 -4.041) 9.951 3.730 ( -3.546 -4.294 0.756) 5.620 3.867 ( 1.986 -5.097 -1.645) 5.712 3.933 ( 0.003 5.855 1.297) 5.997 4.301 ( 2.528 0.458 3.240) 4.135 4.346 ( 9.399 -10.421 -3.393) 14.437 4.469 ( -2.015 -8.123 0.841) 8.412 4.501 ( 5.047 -21.033 5.549) 22.331 4.629 ( 0.415 -0.281 0.210) 0.543 4.691 ( -6.512 -3.352 4.701) 8.703 4.830 ( -1.540 -1.356 -8.519) 8.763 5.038 ( 9.412 -1.550 -3.371) 10.117 5.113 ( -0.282 -4.666 -3.168) 5.647 5.171 ( 0.062 0.603 -3.206) 3.263 5.374 ( 9.075 -0.058 1.229) 9.158 5.640 ( -6.834 -1.120 3.520) 7.769 5.769 ( 3.287 0.162 2.625) 4.210 5.895 ( -8.309 -1.186 0.619) 8.416 6.190 ( 2.922 -33.380 3.179) 33.658 6.285 ( -3.039 -19.874 -0.934) 20.127 6.334 ( 0.455 -50.150 2.271) 50.204 6.431 ( -7.599 5.356 -10.934) 14.352 8.075 ( 1.684 6.054 1.081) 6.377 8.654 ( 5.081 8.324 3.527) 10.371 8.815 ( -2.146 -6.320 -1.190) 6.780 8.862 ( -1.259 -7.747 0.098) 7.849 9.294 ( 0.078 -4.883 0.329) 4.895 9.385 ( -0.391 -3.150 0.105) 3.176 12.747 ( -0.186 4.633 0.613) 4.677 12.889 ( -2.414 2.587 -0.797) 3.627 12.974 ( -0.842 4.740 -0.045) 4.814 13.010 ( -0.477 67.321 1.182) 67.333 13.098 ( 0.985 11.047 -1.089) 11.144 13.382 ( 0.123 68.583 0.233) 68.583 15.777 ( -0.845 -5.903 0.045) 5.963 15.782 ( -1.104 -6.384 -0.045) 6.479 16.309 ( -0.177 -3.037 -0.334) 3.060 16.551 ( 0.059 -4.372 0.168) 4.376 16.999 ( 0.411 -33.051 0.167) 33.054 17.035 ( -0.157 -34.210 -0.257) 34.211 18.513 ( 0.987 2.726 -0.385) 2.925 18.582 ( 0.977 3.533 -0.809) 3.754 18.861 ( -0.072 2.855 0.782) 2.962 18.957 ( -0.257 2.196 0.207) 2.220 19.400 ( -0.043 14.433 -0.102) 14.434 19.461 ( -0.251 10.410 -0.106) 10.414 21.744 ( 0.020 1.312 -0.013) 1.312 21.774 ( -0.249 0.062 -0.249) 0.358 23.443 ( 0.035 -19.754 -0.170) 19.755 23.793 ( 0.575 -28.081 0.306) 28.089 26.638 ( -1.795 2.318 -2.040) 3.572 26.935 ( 0.364 -7.457 0.326) 7.473 27.902 ( 1.566 6.952 2.192) 7.456 28.087 ( -1.461 7.702 -0.589) 7.861 31.208 ( 0.893 -11.110 -0.535) 11.159 31.418 ( 1.900 -7.185 0.685) 7.463 33.734 ( 0.270 6.257 -0.215) 6.266 34.077 ( 1.315 -5.039 0.503) 5.232 ======================= Grid point 33 (23/115) ======================= q-point: (-0.33 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 115 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.234 ( -0.000 -1.888 -0.000) 1.888 1.838 ( -0.000 -2.921 -0.000) 2.921 2.139 ( -0.000 -12.280 -0.000) 12.280 2.173 ( -0.000 -2.381 -0.000) 2.381 2.268 ( 0.000 15.504 0.000) 15.504 2.317 ( -0.000 -9.664 -0.000) 9.664 2.507 ( -0.000 -4.147 -0.000) 4.147 2.680 ( -0.000 -2.439 -0.000) 2.439 2.866 ( 0.000 0.228 0.000) 0.228 3.046 ( 0.000 6.030 0.000) 6.030 3.232 ( -0.000 -2.050 -0.000) 2.050 3.244 ( 0.000 8.067 0.000) 8.067 3.411 ( -0.000 -1.845 -0.000) 1.845 3.581 ( -0.000 -6.791 -0.000) 6.791 3.707 ( -0.000 -6.102 -0.000) 6.102 3.788 ( -0.000 -4.351 -0.000) 4.351 3.833 ( 0.000 4.686 0.000) 4.686 3.882 ( 0.000 1.493 0.000) 1.493 4.284 ( 0.000 4.651 0.000) 4.651 4.373 ( 0.000 3.695 0.000) 3.695 4.600 ( 0.000 3.791 0.000) 3.791 4.628 ( -0.000 -3.123 -0.000) 3.123 4.710 ( -0.000 -5.681 -0.000) 5.681 4.779 ( -0.000 -6.445 -0.000) 6.445 4.804 ( -0.000 -2.974 -0.000) 2.974 5.050 ( 0.000 1.468 0.000) 1.468 5.135 ( 0.000 0.580 0.000) 0.580 5.290 ( -0.000 -12.550 -0.000) 12.550 5.406 ( 0.000 3.342 0.000) 3.342 5.585 ( 0.000 2.802 0.000) 2.802 5.779 ( 0.000 1.830 0.000) 1.830 5.895 ( -0.000 -3.970 -0.000) 3.970 6.198 ( 0.000 3.227 0.000) 3.227 6.288 ( 0.000 3.734 0.000) 3.734 7.262 ( -0.000 -73.090 -0.000) 73.090 7.480 ( -0.000 -84.081 -0.000) 84.081 8.020 ( -0.000 -3.329 -0.000) 3.329 8.552 ( 0.000 5.299 0.000) 5.299 8.918 ( -0.000 -7.517 -0.000) 7.517 8.975 ( -0.000 -6.887 -0.000) 6.887 9.367 ( -0.000 -4.079 -0.000) 4.079 9.434 ( -0.000 -3.272 -0.000) 3.272 11.804 ( 0.000 84.636 0.000) 84.636 12.207 ( 0.000 82.304 0.000) 82.304 12.681 ( 0.000 3.556 0.000) 3.556 12.857 ( 0.000 0.142 0.000) 0.142 12.922 ( 0.000 5.070 0.000) 5.070 12.993 ( 0.000 3.822 0.000) 3.822 15.866 ( -0.000 -6.061 -0.000) 6.061 15.878 ( -0.000 -6.426 -0.000) 6.426 16.356 ( -0.000 -3.116 -0.000) 3.116 16.614 ( -0.000 -3.509 -0.000) 3.509 17.464 ( -0.000 -26.329 -0.000) 26.329 17.519 ( -0.000 -27.762 -0.000) 27.762 18.466 ( 0.000 3.723 0.000) 3.723 18.522 ( 0.000 4.726 0.000) 4.726 18.819 ( 0.000 2.744 0.000) 2.744 18.928 ( 0.000 1.362 0.000) 1.362 19.166 ( 0.000 15.101 0.000) 15.101 19.304 ( 0.000 9.203 0.000) 9.203 21.725 ( 0.000 0.902 0.000) 0.902 21.771 ( 0.000 0.188 0.000) 0.188 23.729 ( -0.000 -16.295 -0.000) 16.295 24.246 ( -0.000 -29.300 -0.000) 29.300 26.591 ( 0.000 1.746 0.000) 1.746 27.064 ( -0.000 -8.486 -0.000) 8.486 27.790 ( 0.000 9.102 0.000) 9.102 27.941 ( 0.000 9.767 0.000) 9.767 31.378 ( -0.000 -9.763 -0.000) 9.763 31.526 ( -0.000 -4.720 -0.000) 4.720 33.630 ( 0.000 6.790 0.000) 6.790 34.203 ( -0.000 -10.176 -0.000) 10.176 ======================= Grid point 40 (24/115) ======================= q-point: ( 0.44 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 115 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.480 ( 7.429 0.000 -4.155) 8.512 1.578 ( -1.043 -0.000 -1.540) 1.859 1.687 ( -5.837 -0.000 -1.940) 6.151 1.818 ( 2.035 0.000 -0.325) 2.061 1.944 ( -2.127 -0.000 1.640) 2.686 2.173 ( 1.207 0.000 0.501) 1.306 2.416 ( -0.021 -0.000 -3.533) 3.533 2.509 ( 4.467 0.000 -0.757) 4.530 2.923 ( 11.790 0.000 7.059) 13.741 2.986 ( -7.129 -0.000 -0.343) 7.137 3.135 ( -0.712 -0.000 6.194) 6.235 3.265 ( -7.976 -0.000 -3.569) 8.738 3.395 ( -0.598 -0.000 0.188) 0.627 3.479 ( -6.257 -0.000 6.857) 9.283 3.498 ( 2.560 0.000 0.104) 2.563 3.560 ( -2.720 -0.000 -8.843) 9.251 3.710 ( 1.203 0.000 12.111) 12.171 3.900 ( -1.525 -0.000 -3.858) 4.148 4.114 ( 4.004 0.000 -6.229) 7.405 4.120 ( 3.751 0.000 -3.317) 5.007 4.176 ( 1.505 0.000 5.725) 5.919 4.461 ( 1.522 0.000 -2.254) 2.720 4.583 ( -5.582 -0.000 2.980) 6.328 4.611 ( -0.029 -0.000 -0.280) 0.281 4.866 ( 4.352 0.000 -2.612) 5.076 5.089 ( 0.728 0.000 -2.682) 2.779 5.093 ( 11.184 0.000 -7.154) 13.276 5.167 ( -0.005 -0.000 -0.133) 0.133 5.257 ( 1.217 0.000 -0.122) 1.223 5.409 ( 10.544 0.000 3.163) 11.009 5.726 ( -2.727 -0.000 6.524) 7.071 5.819 ( -6.769 -0.000 4.119) 7.924 5.829 ( 1.175 0.000 2.932) 3.159 5.908 ( -3.774 -0.000 0.068) 3.775 6.286 ( -0.756 -0.000 2.000) 2.138 6.536 ( -10.561 -0.000 -15.316) 18.604 8.184 ( 1.508 0.000 1.852) 2.389 8.650 ( 0.323 0.000 1.159) 1.203 8.714 ( -1.412 -0.000 -0.142) 1.420 8.856 ( 1.972 0.000 1.726) 2.621 9.206 ( 0.041 0.000 0.621) 0.623 9.330 ( -0.585 -0.000 0.170) 0.609 12.837 ( -0.091 -0.000 0.990) 0.994 12.925 ( -2.963 -0.000 -0.876) 3.090 13.028 ( -2.034 -0.000 -1.389) 2.462 13.239 ( 0.798 0.000 1.566) 1.757 14.400 ( 0.139 0.000 -1.197) 1.205 14.743 ( 0.822 0.000 0.693) 1.075 15.662 ( -0.003 -0.000 0.129) 0.129 15.668 ( -0.616 -0.000 -0.147) 0.633 16.194 ( -0.266 -0.000 0.089) 0.280 16.225 ( -0.688 -0.000 2.663) 2.750 16.264 ( 0.059 0.000 -2.911) 2.911 16.467 ( 0.264 0.000 0.163) 0.311 18.556 ( 1.200 0.000 -0.552) 1.321 18.638 ( 0.832 0.000 -1.308) 1.551 18.913 ( -0.352 -0.000 0.814) 0.887 18.999 ( -0.555 -0.000 0.374) 0.669 19.659 ( -0.019 -0.000 -0.070) 0.073 19.671 ( 0.090 0.000 0.158) 0.182 21.750 ( -0.319 -0.000 -0.320) 0.452 21.795 ( 0.084 0.000 -0.157) 0.178 23.060 ( 0.385 0.000 -0.406) 0.559 23.269 ( 0.947 0.000 0.484) 1.064 26.726 ( -2.749 -0.000 -3.449) 4.411 26.762 ( 0.836 0.000 1.194) 1.457 28.018 ( 1.978 0.000 3.129) 3.702 28.216 ( -1.575 -0.000 -0.755) 1.746 31.006 ( 1.203 0.000 -0.722) 1.402 31.282 ( 2.368 0.000 0.877) 2.525 33.840 ( 0.771 0.000 -0.171) 0.790 34.009 ( 1.106 0.000 0.256) 1.136 ======================= Grid point 41 (25/115) ======================= q-point: (-0.44 -0.56 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 115 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.368 ( 0.000 10.135 0.000) 10.135 1.689 ( -0.000 -7.201 -0.000) 7.201 1.741 ( -0.000 -10.688 -0.000) 10.688 1.925 ( -0.000 -11.287 -0.000) 11.287 1.988 ( -0.000 -6.271 -0.000) 6.271 2.242 ( -0.000 -7.289 -0.000) 7.289 2.522 ( 0.000 1.328 0.000) 1.328 2.688 ( -0.000 -22.064 -0.000) 22.064 2.900 ( 0.000 6.265 0.000) 6.265 3.101 ( -0.000 -2.933 -0.000) 2.933 3.175 ( 0.000 2.698 0.000) 2.698 3.205 ( -0.000 -16.606 -0.000) 16.606 3.371 ( 0.000 0.989 0.000) 0.989 3.467 ( -0.000 -2.156 -0.000) 2.156 3.517 ( 0.000 0.258 0.000) 0.258 3.623 ( -0.000 -14.566 -0.000) 14.566 3.727 ( 0.000 4.137 0.000) 4.137 4.025 ( 0.000 5.300 0.000) 5.300 4.128 ( -0.000 -25.768 -0.000) 25.768 4.236 ( -0.000 -8.640 -0.000) 8.640 4.248 ( -0.000 -7.863 -0.000) 7.863 4.445 ( 0.000 1.886 0.000) 1.886 4.579 ( -0.000 -2.645 -0.000) 2.645 4.623 ( -0.000 -1.179 -0.000) 1.179 4.849 ( 0.000 3.708 0.000) 3.708 5.054 ( 0.000 1.126 0.000) 1.126 5.147 ( 0.000 2.362 0.000) 2.362 5.165 ( -0.000 -0.014 -0.000) 0.014 5.386 ( -0.000 -17.128 -0.000) 17.128 5.478 ( 0.000 1.377 0.000) 1.377 5.765 ( -0.000 -5.283 -0.000) 5.283 5.785 ( -0.000 -2.206 -0.000) 2.206 5.863 ( -0.000 -1.376 -0.000) 1.376 5.953 ( -0.000 -9.537 -0.000) 9.537 6.278 ( 0.000 1.329 0.000) 1.329 6.401 ( 0.000 2.519 0.000) 2.519 8.167 ( 0.000 3.842 0.000) 3.842 8.693 ( -0.000 -4.959 -0.000) 4.959 8.749 ( -0.000 -5.339 -0.000) 5.339 8.825 ( 0.000 6.098 0.000) 6.098 9.232 ( -0.000 -3.076 -0.000) 3.076 9.343 ( -0.000 -1.889 -0.000) 1.889 12.812 ( 0.000 3.358 0.000) 3.358 12.898 ( 0.000 1.197 0.000) 1.197 13.000 ( 0.000 1.598 0.000) 1.598 13.206 ( 0.000 5.199 0.000) 5.199 13.964 ( 0.000 50.094 0.000) 50.094 14.317 ( 0.000 49.378 0.000) 49.378 15.692 ( -0.000 -3.792 -0.000) 3.792 15.696 ( -0.000 -3.944 -0.000) 3.944 16.269 ( -0.000 -1.801 -0.000) 1.801 16.485 ( -0.000 -31.641 -0.000) 31.641 16.493 ( -0.000 -2.967 -0.000) 2.967 16.521 ( -0.000 -30.700 -0.000) 30.700 18.550 ( 0.000 1.463 0.000) 1.463 18.625 ( 0.000 1.749 0.000) 1.749 18.900 ( 0.000 1.792 0.000) 1.792 18.985 ( 0.000 1.485 0.000) 1.485 19.586 ( 0.000 9.071 0.000) 9.071 19.607 ( 0.000 7.803 0.000) 7.803 21.751 ( -0.000 -0.322 -0.000) 0.322 21.783 ( 0.000 1.266 0.000) 1.266 23.173 ( -0.000 -13.856 -0.000) 13.856 23.426 ( -0.000 -18.550 -0.000) 18.550 26.663 ( 0.000 3.069 0.000) 3.069 26.831 ( -0.000 -6.099 -0.000) 6.099 28.006 ( 0.000 4.106 0.000) 4.106 28.171 ( 0.000 4.324 0.000) 4.324 31.067 ( -0.000 -7.045 -0.000) 7.045 31.335 ( -0.000 -4.736 -0.000) 4.736 33.815 ( 0.000 3.707 0.000) 3.707 34.031 ( -0.000 -2.117 -0.000) 2.117 ======================= Grid point 83 (26/115) ======================= q-point: ( 0.00 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 115 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.558 ( 3.238 0.000 26.610) 26.807 0.579 ( 10.528 0.000 25.585) 27.666 1.154 ( 1.625 0.000 52.418) 52.443 1.629 ( -7.462 -0.000 -15.751) 17.429 2.045 ( -2.612 -0.000 -9.249) 9.611 2.188 ( 4.823 0.000 2.927) 5.641 2.191 ( -3.232 -0.000 -19.389) 19.657 2.454 ( 0.508 0.000 3.074) 3.115 2.584 ( 4.739 0.000 4.069) 6.246 2.586 ( 8.368 0.000 6.235) 10.436 2.861 ( 0.618 0.000 3.396) 3.452 3.006 ( -5.920 -0.000 1.648) 6.145 3.143 ( 3.588 0.000 15.544) 15.952 3.193 ( -1.385 -0.000 -6.337) 6.487 3.465 ( -1.869 -0.000 -2.047) 2.772 3.519 ( 1.769 0.000 -0.057) 1.770 3.608 ( -0.375 -0.000 3.977) 3.995 3.883 ( 9.981 0.000 -7.404) 12.428 4.109 ( -3.154 -0.000 0.284) 3.167 4.307 ( 1.067 0.000 1.528) 1.864 4.350 ( -2.291 -0.000 6.809) 7.184 4.453 ( -1.230 -0.000 -0.431) 1.304 4.720 ( 2.932 0.000 -5.553) 6.280 4.919 ( 3.453 0.000 -6.975) 7.783 5.085 ( 2.449 0.000 -10.987) 11.257 5.141 ( -0.063 -0.000 -9.206) 9.206 5.154 ( 0.302 0.000 0.504) 0.587 5.269 ( -0.393 -0.000 3.170) 3.194 5.391 ( -0.827 -0.000 2.088) 2.246 5.443 ( -2.140 -0.000 -0.432) 2.183 5.693 ( -6.860 -0.000 -13.167) 14.847 5.726 ( -3.379 -0.000 -6.364) 7.205 5.966 ( -24.047 -0.000 6.414) 24.888 6.278 ( 0.717 0.000 -1.882) 2.014 6.678 ( 13.273 0.000 19.286) 23.412 7.327 ( 0.951 0.000 -3.216) 3.354 7.539 ( -4.287 -0.000 0.417) 4.307 7.577 ( 6.178 0.000 -0.416) 6.192 8.768 ( 3.628 0.000 0.816) 3.719 8.821 ( -0.443 -0.000 -0.205) 0.489 9.153 ( -0.825 -0.000 5.184) 5.250 9.632 ( 2.237 0.000 -5.031) 5.506 12.838 ( -2.603 -0.000 4.505) 5.203 12.989 ( 1.316 0.000 2.820) 3.112 13.443 ( 0.908 0.000 -4.170) 4.267 13.533 ( 0.113 0.000 -4.524) 4.526 14.436 ( 2.324 0.000 1.083) 2.564 14.463 ( -2.182 -0.000 0.496) 2.238 15.919 ( 0.880 0.000 0.251) 0.915 15.935 ( -0.564 -0.000 -0.060) 0.567 16.128 ( -1.016 -0.000 1.403) 1.733 16.245 ( 1.334 0.000 -1.157) 1.765 16.331 ( -1.405 -0.000 0.568) 1.515 16.405 ( 0.683 0.000 -1.016) 1.224 18.262 ( 4.269 0.000 0.105) 4.270 18.276 ( -0.246 -0.000 -0.191) 0.312 19.095 ( 0.340 0.000 0.281) 0.441 19.124 ( -2.786 -0.000 -0.351) 2.808 19.610 ( 0.104 0.000 0.722) 0.730 19.655 ( -0.087 -0.000 -0.278) 0.291 21.799 ( -0.274 -0.000 0.760) 0.808 21.866 ( 0.322 0.000 -0.692) 0.763 23.033 ( -0.982 -0.000 0.475) 1.091 23.075 ( 0.930 0.000 -0.455) 1.036 27.141 ( -25.417 -0.000 0.663) 25.425 27.202 ( 2.574 0.000 -0.677) 2.662 27.690 ( -4.182 -0.000 2.998) 5.145 27.963 ( 29.691 0.000 -2.954) 29.838 30.822 ( 1.113 0.000 0.316) 1.157 30.843 ( -1.110 -0.000 -0.140) 1.119 33.731 ( -0.729 -0.000 0.827) 1.102 33.803 ( 0.729 0.000 -0.762) 1.055 ======================= Grid point 84 (27/115) ======================= q-point: ( 0.11 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.918 ( 13.968 -11.777 21.874) 28.500 1.325 ( 8.658 -28.456 21.534) 36.721 1.641 ( -3.675 -18.393 -9.681) 21.108 1.687 ( 12.581 -20.307 19.100) 30.585 1.971 ( -5.625 -1.679 -12.182) 13.522 2.092 ( -3.251 -3.807 -5.458) 7.406 2.200 ( 3.896 -0.237 -7.428) 8.391 2.527 ( 7.057 -2.824 3.794) 8.495 2.627 ( -1.308 -7.741 5.089) 9.355 2.872 ( 1.422 -15.195 7.765) 17.124 2.968 ( -0.079 -7.586 8.897) 11.692 3.036 ( -0.721 -7.930 0.214) 7.965 3.205 ( 0.968 -5.634 -2.406) 6.202 3.262 ( 4.307 0.572 5.213) 6.786 3.469 ( -1.486 -5.475 -3.458) 6.644 3.579 ( 5.175 -2.543 5.639) 8.065 3.710 ( 1.559 -5.671 3.606) 6.899 3.933 ( 3.191 -7.575 -8.714) 11.979 4.083 ( -2.145 -1.459 -4.348) 5.063 4.246 ( -4.555 6.558 4.342) 9.089 4.377 ( 0.784 -0.823 2.848) 3.067 4.469 ( -4.028 -3.865 0.255) 5.588 4.729 ( 0.035 -2.090 -4.431) 4.900 4.841 ( -11.309 1.349 -0.016) 11.389 5.061 ( 6.466 -1.964 -13.388) 14.997 5.118 ( 0.553 -1.293 -8.088) 8.209 5.164 ( -1.274 -1.617 3.169) 3.779 5.264 ( -1.855 -2.935 -1.840) 3.929 5.387 ( 0.844 0.473 0.632) 1.155 5.467 ( -1.691 -8.076 -1.039) 8.317 5.655 ( -4.649 -2.786 -2.692) 6.052 5.706 ( -5.731 -16.667 -4.383) 18.162 5.848 ( -13.177 -4.388 7.472) 15.771 6.277 ( 0.990 -0.259 -1.213) 1.587 6.764 ( 1.012 12.260 15.244) 19.588 7.103 ( 3.426 12.464 -5.632) 14.100 7.598 ( 9.128 -3.449 0.139) 9.758 7.682 ( 12.060 3.658 1.500) 12.691 8.839 ( 3.851 -2.309 0.072) 4.490 8.844 ( 0.429 -3.441 -0.665) 3.531 9.201 ( -0.937 -3.274 5.293) 6.294 9.500 ( -1.612 6.457 1.154) 6.755 12.825 ( -1.869 1.671 5.694) 6.221 13.006 ( 0.895 2.879 4.137) 5.119 13.377 ( -0.735 5.558 -4.509) 7.195 13.434 ( -2.305 7.400 -5.683) 9.611 14.020 ( -1.921 48.632 0.022) 48.670 14.071 ( 3.136 46.348 1.553) 46.480 15.926 ( -2.376 -2.042 0.464) 3.167 15.946 ( -1.497 -2.946 -0.349) 3.323 16.338 ( -0.961 -2.112 0.375) 2.350 16.417 ( 1.241 -19.414 -0.376) 19.458 16.444 ( -0.498 -16.128 1.204) 16.181 16.650 ( -2.860 -39.924 -7.484) 40.720 18.286 ( 1.994 -0.258 -0.352) 2.042 18.326 ( 8.182 1.409 -2.299) 8.615 18.979 ( -2.883 9.211 5.655) 11.186 19.077 ( -0.490 2.537 0.082) 2.585 19.556 ( 0.629 7.272 0.505) 7.316 19.587 ( -0.156 7.709 -0.533) 7.729 21.788 ( -0.549 1.008 0.552) 1.274 21.868 ( -0.857 0.623 -2.080) 2.334 23.165 ( -0.880 -16.851 1.420) 16.934 23.609 ( -7.392 -52.210 -24.705) 58.231 26.888 ( -20.227 1.730 11.312) 23.239 27.258 ( 3.063 -2.704 -0.579) 4.127 27.614 ( -5.180 4.339 1.666) 6.959 28.009 ( 24.702 20.263 -1.057) 31.967 30.902 ( 0.438 -8.219 -0.506) 8.246 30.915 ( 2.837 -8.374 0.630) 8.864 33.722 ( -0.221 1.197 1.744) 2.127 34.103 ( -5.788 -27.892 -19.338) 34.430 ======================= Grid point 85 (28/115) ======================= q-point: ( 0.22 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.360 ( 10.845 -11.264 18.532) 24.247 1.685 ( -4.737 0.887 -5.730) 7.488 1.863 ( 3.331 -10.662 6.676) 13.013 1.879 ( 1.059 -9.801 -0.672) 9.881 1.922 ( 5.269 -5.437 -3.042) 8.159 2.229 ( 2.272 -3.185 -3.624) 5.333 2.352 ( 4.511 -17.315 -1.668) 17.971 2.657 ( 5.285 -3.586 1.646) 6.595 2.771 ( 0.954 -4.751 4.077) 6.333 2.984 ( -4.501 0.019 5.357) 6.997 3.143 ( 2.410 -3.546 -3.210) 5.356 3.237 ( 2.546 -9.201 -2.991) 10.004 3.317 ( 4.266 -4.065 7.027) 9.171 3.350 ( 0.733 -7.128 2.844) 7.709 3.540 ( -1.165 -5.633 2.172) 6.148 3.724 ( 3.567 1.077 -3.352) 5.012 3.817 ( 5.831 -8.750 10.914) 15.156 3.983 ( -0.922 0.841 5.626) 5.762 4.120 ( -6.137 4.451 5.247) 9.220 4.237 ( -3.327 -14.627 -1.090) 15.040 4.377 ( 0.904 -3.280 -5.526) 6.489 4.516 ( -2.124 -5.298 1.954) 6.033 4.716 ( -7.441 0.988 1.031) 7.577 4.737 ( -0.511 -3.554 -5.477) 6.549 5.024 ( 0.373 -0.968 -16.239) 16.272 5.108 ( 1.373 1.868 -0.865) 2.474 5.176 ( 0.482 0.429 -1.225) 1.385 5.273 ( -5.985 -4.426 -0.945) 7.504 5.389 ( 0.320 -0.388 -1.283) 1.378 5.524 ( -2.069 -2.454 -4.148) 5.245 5.769 ( -2.123 -2.886 2.933) 4.631 5.998 ( -7.560 -25.049 2.503) 26.284 6.131 ( 1.855 -48.688 4.637) 48.944 6.334 ( 2.882 -8.334 -0.260) 8.822 6.598 ( -1.398 13.614 8.869) 16.308 7.037 ( -1.455 -14.040 -12.851) 19.089 7.747 ( 8.780 0.542 1.223) 8.881 7.811 ( 12.062 -4.785 1.934) 13.120 8.916 ( 0.407 -5.698 -0.575) 5.741 8.926 ( 1.700 -4.853 0.294) 5.151 9.284 ( -0.925 -5.009 3.926) 6.431 9.451 ( -1.064 -0.306 0.281) 1.142 12.794 ( -1.938 5.396 4.476) 7.274 12.956 ( 0.729 13.570 4.231) 14.233 13.021 ( 0.053 59.363 -2.692) 59.424 13.086 ( -0.876 49.459 -1.022) 49.477 13.267 ( -3.172 12.702 -1.772) 13.212 13.381 ( 0.786 27.604 -0.933) 27.631 15.937 ( -3.157 -2.826 0.529) 4.270 15.979 ( -1.645 -3.642 -0.435) 4.020 16.368 ( -1.308 -3.043 0.634) 3.372 16.509 ( 1.303 -5.139 -1.198) 5.436 16.967 ( -0.800 -34.853 2.743) 34.970 17.168 ( -3.749 -35.795 -5.670) 36.435 18.319 ( 3.166 -0.419 -0.315) 3.209 18.363 ( 5.788 1.791 -1.638) 6.276 18.878 ( -1.325 5.487 4.549) 7.249 19.013 ( -0.788 4.191 -0.921) 4.363 19.401 ( 0.223 13.194 0.509) 13.206 19.453 ( 0.539 9.117 -0.939) 9.181 21.763 ( -0.680 1.444 0.384) 1.641 21.827 ( -0.544 1.770 -1.434) 2.342 23.486 ( -1.962 -22.727 4.126) 23.182 24.035 ( -10.009 -34.284 -20.552) 41.206 26.788 ( -8.545 0.612 11.674) 14.480 27.281 ( -6.296 -1.431 -3.848) 7.517 27.527 ( 4.054 4.654 1.984) 6.483 27.965 ( 15.384 12.655 -0.757) 19.935 31.081 ( 1.412 -13.356 -0.509) 13.440 31.122 ( 3.640 -12.507 0.613) 13.041 33.709 ( -0.722 2.264 4.419) 5.018 34.201 ( -8.175 -10.696 -17.171) 21.820 ======================= Grid point 86 (29/115) ======================= q-point: ( 0.33 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.506 ( -4.834 2.959 0.746) 5.716 1.703 ( 4.089 -5.425 2.215) 7.145 1.888 ( -0.793 -5.726 2.640) 6.355 2.064 ( 0.255 -8.047 -1.481) 8.186 2.189 ( 5.741 -7.488 1.818) 9.609 2.328 ( 6.801 -4.625 4.880) 9.563 2.594 ( 2.082 -11.937 -2.718) 12.419 2.728 ( -4.175 1.500 3.798) 5.840 2.829 ( 9.677 0.862 -2.903) 10.140 2.957 ( -4.054 0.943 6.070) 7.360 3.134 ( 1.796 3.994 -2.307) 4.950 3.319 ( -0.390 -2.561 -5.155) 5.769 3.390 ( 2.872 -3.430 -4.424) 6.292 3.465 ( 2.051 -2.028 3.762) 4.740 3.569 ( -3.412 -0.914 5.109) 6.211 3.757 ( 2.968 -0.994 -5.078) 5.965 3.908 ( 3.224 -0.586 1.822) 3.749 4.012 ( -4.982 5.417 6.964) 10.132 4.179 ( -3.588 -8.329 7.330) 11.660 4.249 ( -5.063 -2.412 6.901) 8.893 4.444 ( 3.909 0.094 -5.900) 7.078 4.575 ( -1.010 -3.407 0.864) 3.657 4.698 ( -2.134 -1.354 2.223) 3.366 4.765 ( 0.725 -2.344 -0.887) 2.609 4.983 ( 1.330 -5.914 -14.734) 15.932 5.077 ( -1.366 1.522 1.836) 2.748 5.176 ( 3.576 -0.008 -3.390) 4.928 5.276 ( -5.011 -4.562 -0.709) 6.814 5.373 ( -2.713 -1.559 -3.224) 4.493 5.546 ( 1.662 -1.789 0.260) 2.456 5.785 ( -3.013 -0.364 4.795) 5.675 6.085 ( -2.803 2.161 0.882) 3.648 6.361 ( 0.755 7.969 1.079) 8.077 6.489 ( 5.616 5.652 -1.524) 8.112 7.182 ( 0.341 -60.213 3.984) 60.345 7.649 ( -1.564 -69.951 -6.340) 70.255 7.852 ( 3.727 -9.879 -0.428) 10.567 8.109 ( 5.162 -29.086 0.766) 29.551 9.005 ( 0.057 -5.545 -0.382) 5.558 9.025 ( 1.000 -5.415 0.429) 5.523 9.369 ( -0.730 -4.528 2.163) 5.071 9.463 ( -0.675 -1.875 -0.470) 2.047 11.827 ( -0.633 84.523 -0.387) 84.526 11.943 ( 3.137 83.450 0.050) 83.509 12.756 ( -2.670 4.237 3.955) 6.382 12.897 ( 0.020 6.877 3.720) 7.819 13.103 ( -1.674 6.271 -2.683) 7.023 13.139 ( -1.366 8.658 -2.578) 9.136 15.948 ( -2.578 -2.100 0.623) 3.383 16.011 ( -1.439 -2.928 -0.524) 3.304 16.405 ( -1.384 -2.863 0.868) 3.297 16.589 ( 1.314 -4.083 -1.683) 4.608 17.458 ( -1.143 -27.222 2.373) 27.350 17.581 ( -2.821 -25.596 -3.334) 25.966 18.358 ( 2.784 -0.415 0.007) 2.814 18.382 ( 3.473 1.373 -0.571) 3.778 18.822 ( -0.748 3.353 3.086) 4.618 18.935 ( -0.271 3.894 -1.555) 4.201 19.195 ( -0.510 13.005 0.796) 13.039 19.312 ( 1.140 9.067 -1.256) 9.225 21.740 ( -0.497 0.940 0.377) 1.128 21.793 ( -0.069 1.203 -0.927) 1.521 23.805 ( -3.263 -17.297 5.832) 18.543 24.265 ( -5.301 -19.926 -12.244) 23.981 26.790 ( -3.808 -0.296 9.596) 10.328 27.155 ( -8.173 1.244 -4.275) 9.307 27.566 ( 7.141 1.534 0.553) 7.325 27.935 ( 8.433 6.989 -2.404) 11.213 31.303 ( 1.476 -12.735 -0.386) 12.826 31.350 ( 3.151 -10.942 0.456) 11.396 33.683 ( -2.285 3.243 6.424) 7.550 34.135 ( -4.331 -2.214 -11.450) 12.440 ======================= Grid point 87 (30/115) ======================= q-point: ( 0.44 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.444 ( -3.899 -0.344 2.684) 4.746 1.769 ( 0.733 -3.677 -2.443) 4.475 2.024 ( 1.362 -4.364 4.187) 6.200 2.122 ( 1.494 0.253 -0.086) 1.518 2.271 ( -6.375 -1.012 3.921) 7.553 2.507 ( 8.433 -2.929 2.458) 9.260 2.632 ( 1.002 7.235 1.759) 7.513 2.728 ( -4.527 -9.223 -3.023) 10.709 2.885 ( 3.243 1.115 -1.404) 3.705 2.963 ( -0.144 -0.775 4.309) 4.381 3.061 ( 4.748 6.620 -3.733) 8.961 3.246 ( -3.535 4.946 2.672) 6.641 3.474 ( -5.547 -4.412 -2.598) 7.548 3.505 ( 6.847 -4.152 -3.844) 8.883 3.622 ( 1.408 -4.177 1.843) 4.778 3.773 ( -0.169 0.555 -0.518) 0.777 3.849 ( -2.731 5.739 0.697) 6.394 3.998 ( 1.963 0.746 2.240) 3.070 4.132 ( -4.447 3.954 0.893) 6.017 4.360 ( -2.861 -4.455 7.736) 9.374 4.425 ( 1.628 0.449 -5.565) 5.816 4.620 ( 2.562 0.009 0.768) 2.675 4.658 ( -2.177 2.025 -0.572) 3.028 4.824 ( 0.815 -3.119 1.918) 3.751 4.997 ( -1.671 -0.686 -1.038) 2.083 5.103 ( 2.724 -3.710 -5.723) 7.344 5.225 ( 3.730 -3.182 -2.508) 5.507 5.277 ( -4.024 -2.139 -1.291) 4.737 5.382 ( -0.637 -4.820 -1.859) 5.205 5.604 ( 2.246 -1.539 3.092) 4.120 5.759 ( -3.861 1.775 3.741) 5.661 5.983 ( -1.226 6.798 -0.715) 6.945 6.277 ( 0.863 4.559 0.871) 4.721 6.445 ( 0.587 0.394 -3.263) 3.339 7.649 ( 1.376 -5.794 3.066) 6.698 7.919 ( 4.020 -1.402 -2.367) 4.871 8.963 ( -0.620 -73.120 3.292) 73.196 9.033 ( -2.414 -52.940 -2.592) 53.058 9.082 ( 0.216 -5.532 -0.139) 5.538 9.164 ( -0.537 -50.329 -0.820) 50.339 9.420 ( -0.648 -1.987 0.912) 2.280 9.477 ( -0.310 -1.281 -0.754) 1.518 10.467 ( -0.454 88.753 -0.210) 88.754 10.630 ( 5.110 91.462 0.627) 91.607 12.694 ( -1.951 2.452 2.344) 3.913 12.823 ( -0.678 4.173 2.295) 4.810 13.009 ( -0.542 2.144 -2.462) 3.309 13.037 ( -0.250 1.810 -1.329) 2.259 15.953 ( -0.883 -0.510 0.736) 1.258 16.029 ( -0.745 -1.286 -0.632) 1.615 16.431 ( -1.272 -1.538 1.125) 2.291 16.633 ( 1.165 -1.216 -2.387) 2.921 17.759 ( -1.024 -10.830 0.514) 10.890 17.834 ( -0.726 -10.567 -1.218) 10.662 18.385 ( 1.145 0.094 0.345) 1.200 18.392 ( 1.285 0.274 0.334) 1.356 18.792 ( -0.621 1.749 2.161) 2.849 18.881 ( 0.541 1.798 -1.028) 2.141 19.039 ( -1.080 5.459 0.933) 5.643 19.207 ( 1.072 4.203 -1.589) 4.620 21.729 ( -0.314 0.227 0.311) 0.497 21.778 ( 0.130 0.286 -0.647) 0.720 23.982 ( -3.568 -5.809 5.535) 8.781 24.413 ( 2.400 -8.658 -6.292) 10.969 26.773 ( -5.753 1.783 3.644) 7.040 27.102 ( -0.310 -2.497 1.565) 2.963 27.601 ( 3.447 1.624 -1.112) 3.969 27.898 ( 2.638 3.185 -4.404) 6.041 31.462 ( 0.582 -5.859 -0.427) 5.903 31.497 ( 1.426 -3.820 0.465) 4.104 33.638 ( -3.893 2.391 5.897) 7.459 34.098 ( 3.052 -1.857 -6.227) 7.179 ======================= Grid point 88 (31/115) ======================= q-point: (-0.44 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.467 ( -3.289 -4.911 4.540) 7.452 1.793 ( -2.149 2.155 -3.245) 4.449 1.988 ( -3.384 9.533 6.227) 11.879 2.134 ( -1.421 -1.162 1.444) 2.335 2.213 ( -2.095 -1.411 -3.594) 4.393 2.518 ( -2.361 10.046 5.119) 11.520 2.610 ( 7.967 2.992 1.184) 8.592 2.765 ( -2.607 0.668 -0.342) 2.713 2.854 ( -3.957 -0.524 -2.033) 4.480 2.944 ( -0.958 0.339 -1.363) 1.700 3.049 ( 2.280 1.705 -1.352) 3.152 3.226 ( 7.849 0.673 3.141) 8.481 3.406 ( -8.989 -1.939 -5.297) 10.612 3.595 ( -6.329 4.658 3.138) 8.462 3.646 ( 1.164 1.651 -1.433) 2.476 3.752 ( 4.638 -6.008 1.350) 7.709 3.859 ( 7.330 0.773 -0.872) 7.422 3.942 ( -3.806 5.358 0.833) 6.625 4.055 ( -1.324 2.946 -0.197) 3.235 4.336 ( 0.380 6.961 1.835) 7.208 4.443 ( -2.452 -1.877 1.744) 3.547 4.599 ( -1.710 1.806 -1.888) 3.122 4.654 ( 5.119 -0.000 -0.440) 5.137 4.893 ( -0.642 -4.286 1.360) 4.543 4.990 ( -0.517 0.655 1.942) 2.114 5.119 ( -0.094 -1.659 -6.057) 6.280 5.227 ( -2.482 -1.104 -5.089) 5.769 5.326 ( 3.100 -2.793 1.221) 4.347 5.471 ( 1.772 -5.510 1.120) 5.895 5.621 ( -3.285 4.684 5.791) 8.140 5.750 ( 0.028 -4.115 0.087) 4.116 5.896 ( 2.492 2.401 -2.511) 4.275 6.243 ( 0.849 1.781 0.346) 2.003 6.453 ( -5.929 -5.898 -2.703) 8.789 7.654 ( -3.241 6.020 3.319) 7.600 7.910 ( 0.015 3.722 -2.676) 4.584 8.924 ( -0.417 84.214 0.935) 84.221 9.060 ( -0.015 5.540 -0.314) 5.548 9.088 ( -0.540 9.605 0.015) 9.620 9.267 ( 8.361 81.201 0.906) 81.635 9.405 ( -0.840 3.183 0.420) 3.318 9.466 ( 0.408 1.818 -0.746) 2.007 10.518 ( -1.170 -89.445 2.294) 89.482 10.539 ( -1.360 -91.876 -2.602) 91.923 12.676 ( -0.548 -0.253 1.854) 1.950 12.792 ( -1.454 -0.466 1.398) 2.070 13.009 ( 0.670 -3.926 -2.363) 4.630 13.059 ( 1.187 -4.562 -0.568) 4.748 15.953 ( 1.131 1.307 0.749) 1.884 16.027 ( 0.222 0.627 -0.696) 0.962 16.435 ( -1.054 0.350 1.388) 1.778 16.623 ( 1.086 2.078 -2.761) 3.622 17.738 ( -0.823 12.273 -0.111) 12.301 17.855 ( 2.412 8.190 -0.608) 8.559 18.391 ( -0.796 -0.589 0.589) 1.152 18.398 ( -1.212 -0.504 0.304) 1.347 18.778 ( -0.685 0.488 1.551) 1.764 18.898 ( 1.174 -2.687 -0.334) 2.951 19.036 ( -1.420 -6.265 0.885) 6.485 19.209 ( 0.549 -4.521 -1.559) 4.813 21.729 ( -0.159 -0.405 0.306) 0.532 21.780 ( 0.195 -0.806 -0.593) 1.019 23.967 ( -2.881 6.801 4.359) 8.577 24.517 ( 12.373 1.667 -3.519) 12.971 26.685 ( -5.571 2.417 1.974) 6.386 27.209 ( 4.121 -4.975 4.323) 7.773 27.571 ( -0.986 2.967 -1.478) 3.459 27.844 ( -3.296 -0.748 -6.275) 7.127 31.470 ( -0.847 4.430 -0.620) 4.553 31.489 ( -0.872 5.483 0.663) 5.591 33.611 ( -4.094 -1.035 4.406) 6.103 34.200 ( 12.012 -4.068 -3.349) 13.117 ======================= Grid point 89 (32/115) ======================= q-point: (-0.33 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.453 ( -11.605 11.699 5.493) 17.370 1.671 ( 0.806 -4.592 -0.199) 4.667 1.791 ( -17.817 9.273 4.118) 20.504 2.168 ( 1.376 -1.884 1.990) 3.067 2.203 ( 3.794 1.038 -7.627) 8.581 2.356 ( 1.420 13.430 5.899) 14.737 2.535 ( 3.035 12.819 -1.734) 13.287 2.752 ( 1.440 -0.979 1.157) 2.091 2.775 ( -3.092 4.340 -2.284) 5.798 2.896 ( -2.269 5.967 2.712) 6.936 3.074 ( 1.375 -3.786 -3.667) 5.447 3.267 ( -11.647 1.592 -5.743) 13.083 3.344 ( 8.056 2.191 1.395) 8.464 3.454 ( -2.525 2.921 1.642) 4.196 3.583 ( -7.378 6.701 2.191) 10.205 3.761 ( -1.170 6.841 -1.234) 7.049 3.886 ( 2.016 14.204 -0.698) 14.363 3.942 ( 4.740 -4.337 3.176) 7.167 3.963 ( 1.394 2.707 6.509) 7.186 4.287 ( -2.046 -3.210 4.044) 5.553 4.421 ( -0.312 2.563 0.751) 2.689 4.541 ( -2.585 2.737 -0.517) 3.801 4.734 ( 7.437 -1.931 -2.507) 8.082 4.923 ( 0.089 0.566 -3.103) 3.155 5.001 ( 1.259 -1.202 2.499) 3.045 5.111 ( -1.256 -2.675 -6.092) 6.771 5.208 ( -0.597 -1.498 -1.875) 2.473 5.393 ( 1.926 -1.567 0.279) 2.498 5.527 ( -2.713 1.299 -3.324) 4.484 5.590 ( 2.615 -5.106 2.649) 6.319 5.817 ( 1.960 -0.008 4.921) 5.297 5.933 ( 2.466 -2.891 -0.222) 3.807 6.242 ( 0.764 -0.419 -0.292) 0.919 6.415 ( -11.190 -1.765 -3.182) 11.767 7.140 ( -4.145 69.846 1.883) 69.994 7.723 ( 0.486 24.336 -4.101) 24.684 7.921 ( -2.359 25.646 0.749) 25.765 8.179 ( 4.230 49.257 1.673) 49.467 9.002 ( -0.563 5.529 -0.347) 5.568 9.027 ( -0.557 5.546 0.286) 5.581 9.330 ( -0.969 5.792 1.091) 5.973 9.432 ( 0.813 3.289 -0.257) 3.398 11.874 ( -0.880 -84.785 1.304) 84.800 11.892 ( -0.195 -84.840 -1.720) 84.858 12.703 ( -0.044 -1.824 2.446) 3.052 12.824 ( -1.708 -4.650 1.679) 5.230 13.110 ( 1.660 -8.898 -2.406) 9.366 13.185 ( 2.143 -9.451 -0.577) 9.708 15.945 ( 2.592 2.760 0.614) 3.836 16.008 ( 1.058 2.217 -0.659) 2.544 16.415 ( -0.838 1.961 1.539) 2.630 16.567 ( 1.161 4.463 -2.547) 5.268 17.414 ( -0.509 27.322 0.423) 27.330 17.648 ( 5.168 22.744 -1.039) 23.347 18.371 ( -3.048 0.286 0.276) 3.074 18.400 ( -3.456 -2.298 -0.307) 4.162 18.781 ( -0.807 -0.741 1.731) 2.048 18.957 ( 1.592 -3.164 -0.470) 3.573 19.189 ( -1.370 -13.610 0.600) 13.692 19.321 ( 0.380 -9.447 -1.010) 9.508 21.742 ( 0.055 -1.113 0.382) 1.178 21.801 ( 0.559 -1.932 -0.752) 2.147 23.776 ( -1.984 16.897 3.384) 17.346 24.582 ( 25.155 13.203 -6.059) 29.049 26.626 ( -3.124 1.657 6.420) 7.329 27.353 ( 5.041 -3.743 -0.770) 6.326 27.490 ( -4.011 2.509 3.068) 5.639 27.781 ( -11.053 -6.169 -7.644) 14.787 31.317 ( -2.033 11.980 -0.693) 12.171 31.336 ( -2.430 11.892 0.762) 12.161 33.634 ( -3.233 -3.893 3.402) 6.098 34.412 ( 21.232 -1.809 -4.892) 21.863 ======================= Grid point 90 (33/115) ======================= q-point: (-0.22 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.088 ( -10.708 20.946 8.967) 25.175 1.375 ( -32.652 12.251 12.354) 36.998 1.860 ( 3.762 -11.313 1.553) 12.023 2.073 ( 4.302 20.416 -9.389) 22.879 2.149 ( 0.141 7.374 -5.788) 9.376 2.271 ( 4.478 5.299 5.705) 8.982 2.365 ( 0.928 8.131 -3.023) 8.724 2.626 ( -3.322 7.878 -5.669) 10.259 2.743 ( -2.003 10.345 -0.728) 10.562 2.796 ( 4.285 5.361 4.591) 8.257 3.006 ( -0.867 21.142 2.754) 21.339 3.103 ( -7.011 1.508 0.520) 7.190 3.187 ( -6.264 10.241 4.487) 12.816 3.406 ( -4.688 4.137 1.615) 6.458 3.489 ( 1.551 -0.743 1.420) 2.230 3.626 ( -2.422 5.690 1.280) 6.315 3.689 ( 0.417 7.860 -1.747) 8.063 3.978 ( 0.331 3.209 6.193) 6.983 4.091 ( 2.542 -5.758 5.235) 8.187 4.354 ( 0.304 2.346 0.036) 2.366 4.420 ( -3.456 0.069 5.398) 6.410 4.469 ( 1.921 -0.970 1.771) 2.787 4.814 ( 6.986 -0.326 -4.733) 8.445 4.868 ( -0.313 4.928 -1.558) 5.178 5.037 ( 2.387 -1.243 -7.258) 7.741 5.109 ( 0.328 -1.400 -1.565) 2.125 5.221 ( -0.956 -1.457 -0.850) 1.939 5.401 ( -0.799 1.972 0.545) 2.197 5.472 ( 3.065 9.839 -13.016) 16.601 5.677 ( 1.229 -0.066 0.703) 1.418 5.858 ( 7.632 7.186 11.754) 15.749 5.951 ( -1.833 26.738 8.158) 28.015 6.044 ( 0.907 16.410 -3.449) 16.793 6.271 ( -0.145 0.042 -2.323) 2.328 6.288 ( -4.619 4.753 1.061) 6.712 7.206 ( -1.733 23.486 -9.876) 25.537 7.725 ( -7.497 2.939 1.707) 8.231 7.842 ( -8.646 6.347 3.340) 11.234 8.901 ( -1.506 5.344 -0.609) 5.585 8.933 ( -1.010 5.314 -0.042) 5.409 9.234 ( -0.911 6.098 2.341) 6.595 9.392 ( 1.190 2.978 1.582) 3.576 12.744 ( -0.356 -2.883 3.199) 4.322 12.878 ( -0.167 -9.002 1.637) 9.152 13.055 ( 1.070 -60.550 -2.401) 60.607 13.106 ( 0.218 -65.586 0.687) 65.590 13.293 ( 0.866 -18.592 -0.328) 18.615 13.368 ( 1.093 -13.324 -1.094) 13.413 15.932 ( 3.051 3.278 0.415) 4.497 15.977 ( 1.378 2.950 -0.546) 3.301 16.379 ( -0.658 2.548 1.427) 2.994 16.491 ( 1.233 5.229 -2.000) 5.732 16.937 ( -0.594 33.602 1.087) 33.625 17.274 ( 8.306 33.329 -3.475) 34.524 18.330 ( -3.514 0.325 0.110) 3.531 18.379 ( -6.983 -2.970 -2.494) 7.987 18.812 ( -0.961 -2.884 4.292) 5.259 19.020 ( 1.443 -3.087 -0.459) 3.438 19.393 ( -0.888 -13.392 0.109) 13.421 19.468 ( 0.405 -9.178 -0.529) 9.202 21.765 ( 0.191 -1.235 0.297) 1.285 21.843 ( 1.385 -2.834 -1.127) 3.349 23.473 ( -1.490 21.147 2.606) 21.359 24.534 ( 39.354 31.406 -21.535) 54.762 26.676 ( 4.001 -0.484 18.272) 18.711 27.316 ( -1.453 4.264 -5.245) 6.914 27.554 ( 0.441 -5.347 6.812) 8.671 27.707 ( -22.702 -13.793 -8.237) 27.812 31.087 ( -2.129 13.374 -0.679) 13.559 31.115 ( -2.865 12.608 0.747) 12.951 33.685 ( -2.311 -3.856 2.567) 5.177 34.591 ( 30.315 10.184 -15.053) 35.345 ======================= Grid point 91 (34/115) ======================= q-point: (-0.11 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.700 ( -12.568 21.137 13.245) 27.931 1.004 ( -23.461 11.037 35.359) 43.846 1.390 ( -2.717 63.050 4.685) 63.282 1.910 ( -5.293 11.591 -11.410) 17.104 2.067 ( 5.641 -6.027 0.908) 8.305 2.203 ( 0.399 8.836 -10.315) 13.588 2.327 ( 5.692 -0.118 6.454) 8.606 2.395 ( -7.160 5.695 -10.007) 13.559 2.543 ( 2.389 10.401 -1.302) 10.750 2.681 ( 5.583 15.425 10.534) 19.495 2.862 ( 4.273 4.542 0.876) 6.297 3.035 ( 1.110 3.217 10.816) 11.339 3.120 ( -8.390 1.625 6.922) 10.998 3.292 ( -3.886 4.062 -1.630) 5.853 3.512 ( -0.675 1.314 0.359) 1.520 3.529 ( -1.397 2.307 0.024) 2.697 3.620 ( 2.958 3.919 -1.062) 5.024 3.917 ( -1.341 8.581 4.222) 9.657 4.183 ( -0.193 3.435 -0.232) 3.449 4.276 ( -3.014 -0.575 1.612) 3.466 4.338 ( -0.735 4.068 2.903) 5.052 4.529 ( -0.122 4.938 -0.952) 5.031 4.727 ( 3.071 3.796 -2.431) 5.455 4.903 ( 5.637 -1.835 -3.064) 6.673 5.041 ( 5.373 -2.836 -4.173) 7.370 5.124 ( 0.243 0.698 2.545) 2.651 5.180 ( 4.567 8.599 3.444) 10.327 5.213 ( 1.019 0.251 -4.513) 4.633 5.389 ( -2.117 -0.268 0.140) 2.139 5.572 ( 0.987 9.084 -6.257) 11.074 5.763 ( -0.194 -1.165 -3.834) 4.012 5.854 ( -0.405 3.534 -10.417) 11.008 6.126 ( 2.724 -0.598 4.239) 5.074 6.271 ( 4.131 -0.424 -3.924) 5.714 6.371 ( 6.117 -5.696 17.263) 19.180 6.987 ( -15.198 -16.291 2.508) 22.420 7.622 ( -8.022 1.029 1.226) 8.180 7.698 ( -13.878 -0.003 1.700) 13.982 8.804 ( -3.445 3.042 -1.077) 4.721 8.854 ( -0.666 3.394 0.027) 3.459 9.165 ( -0.795 3.712 3.885) 5.432 9.435 ( 3.056 -5.556 6.673) 9.205 12.797 ( -0.997 -2.456 4.894) 5.566 12.960 ( 0.138 -2.371 2.673) 3.576 13.386 ( 3.314 -7.329 -3.888) 8.933 13.495 ( 1.123 -6.592 -2.859) 7.273 14.018 ( 1.157 -46.508 -0.680) 46.527 14.058 ( -2.290 -49.002 1.576) 49.081 15.918 ( 2.599 2.511 0.223) 3.621 15.946 ( 1.209 2.310 -0.284) 2.623 16.344 ( -0.321 2.178 0.836) 2.355 16.394 ( 1.176 19.051 -0.404) 19.091 16.452 ( -1.211 15.299 0.390) 15.351 16.756 ( 8.866 42.105 -11.255) 44.476 18.292 ( -2.829 0.077 -0.238) 2.840 18.306 ( -8.419 -1.007 -3.453) 9.155 18.935 ( -0.826 -11.139 9.301) 14.535 19.072 ( 0.970 -2.024 -0.086) 2.246 19.550 ( -0.356 -7.116 -0.090) 7.125 19.596 ( -0.005 -7.225 -0.295) 7.231 21.785 ( 0.267 -0.773 0.297) 0.870 21.889 ( 1.849 -0.957 -2.301) 3.103 23.172 ( -1.327 15.888 1.454) 16.009 23.996 ( 31.769 71.304 -49.518) 92.442 27.028 ( 31.278 -3.183 25.898) 40.732 27.222 ( -0.360 2.854 -2.518) 3.823 27.622 ( -36.071 -26.241 -1.277) 44.624 27.671 ( -5.327 -6.194 3.480) 8.880 30.890 ( -0.916 8.682 -0.289) 8.735 30.926 ( -2.332 7.999 0.328) 8.338 33.722 ( -1.510 -1.961 1.547) 2.919 34.397 ( 24.955 42.934 -36.167) 61.434 ======================= Grid point 93 (35/115) ======================= q-point: ( 0.11 0.11 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 115 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.162 ( 18.852 0.000 21.981) 28.958 1.170 ( 16.938 0.000 16.819) 23.870 1.314 ( -3.321 -0.000 -15.398) 15.752 1.822 ( -2.095 -0.000 -11.749) 11.934 2.002 ( -1.521 -0.000 -11.506) 11.606 2.004 ( 19.171 0.000 27.979) 33.917 2.208 ( 2.417 0.000 4.135) 4.790 2.521 ( 1.745 0.000 3.509) 3.919 2.590 ( -4.206 -0.000 3.137) 5.247 2.857 ( 8.093 0.000 8.611) 11.818 2.870 ( -3.791 -0.000 5.631) 6.788 2.971 ( 5.008 0.000 -1.170) 5.143 3.152 ( 2.184 0.000 -6.556) 6.910 3.331 ( 1.810 0.000 -2.108) 2.779 3.389 ( 1.009 0.000 -4.241) 4.359 3.605 ( -1.263 -0.000 3.459) 3.682 3.691 ( 9.484 0.000 7.830) 12.299 3.897 ( 0.629 0.000 -8.746) 8.768 4.103 ( 5.273 0.000 -6.635) 8.475 4.288 ( -5.744 -0.000 4.354) 7.207 4.351 ( -8.462 -0.000 0.377) 8.471 4.438 ( 2.415 0.000 7.881) 8.243 4.668 ( -0.357 -0.000 -8.732) 8.739 4.685 ( -17.563 -0.000 5.949) 18.543 4.954 ( 0.199 0.000 -18.451) 18.452 5.083 ( -4.581 -0.000 3.300) 5.645 5.162 ( -1.449 -0.000 4.606) 4.829 5.219 ( 4.991 0.000 -11.310) 12.362 5.337 ( -8.497 -0.000 -5.068) 9.893 5.416 ( -0.106 -0.000 -1.760) 1.763 5.500 ( -1.577 -0.000 5.407) 5.633 5.596 ( -2.176 -0.000 0.876) 2.346 5.789 ( -4.740 -0.000 4.156) 6.304 6.277 ( 0.581 0.000 -0.846) 1.026 6.856 ( -12.047 -0.000 10.161) 15.760 7.125 ( -1.203 -0.000 -15.658) 15.704 7.777 ( 21.626 0.000 5.308) 22.268 7.882 ( 10.198 0.000 0.625) 10.217 8.814 ( 0.508 0.000 -0.769) 0.922 8.870 ( 3.427 0.000 -1.888) 3.913 9.197 ( -1.423 -0.000 6.000) 6.167 9.519 ( -5.115 -0.000 -2.620) 5.747 12.849 ( -1.862 -0.000 5.649) 5.947 13.068 ( 2.358 0.000 3.460) 4.187 13.360 ( -4.169 -0.000 -3.623) 5.523 13.414 ( -4.724 -0.000 -6.149) 7.754 14.423 ( -1.171 -0.000 -1.009) 1.546 14.532 ( 4.315 0.000 1.835) 4.689 15.851 ( -5.699 -0.000 -0.571) 5.727 15.868 ( -4.650 -0.000 0.165) 4.653 16.155 ( 1.610 0.000 0.926) 1.857 16.259 ( 0.332 0.000 0.159) 0.368 16.315 ( -0.334 -0.000 -0.844) 0.908 16.415 ( 1.058 0.000 -0.493) 1.167 18.316 ( 3.979 0.000 -0.428) 4.002 18.414 ( 8.607 0.000 -5.315) 10.116 19.036 ( -4.800 -0.000 2.579) 5.449 19.091 ( -1.201 -0.000 0.607) 1.346 19.629 ( 0.721 0.000 0.870) 1.130 19.652 ( 0.205 0.000 -0.479) 0.521 21.792 ( -0.640 -0.000 0.500) 0.812 21.845 ( -1.378 -0.000 -0.938) 1.667 23.024 ( -0.070 -0.000 0.043) 0.082 23.109 ( 2.318 0.000 0.011) 2.318 26.795 ( -11.067 -0.000 10.705) 15.397 27.243 ( -1.747 -0.000 -3.813) 4.194 27.630 ( -0.671 -0.000 5.642) 5.682 28.297 ( 9.694 0.000 -11.724) 15.212 30.844 ( 1.670 0.000 -0.887) 1.890 30.898 ( 4.967 0.000 1.083) 5.084 33.740 ( 0.763 0.000 0.637) 0.994 33.831 ( 2.490 0.000 -0.567) 2.554 ======================= Grid point 94 (36/115) ======================= q-point: ( 0.22 0.11 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.429 ( -2.482 -19.469 -8.854) 21.531 1.507 ( 15.953 -3.378 17.781) 24.126 1.650 ( 6.921 -18.953 5.134) 20.820 1.772 ( 2.499 -2.461 -9.981) 10.579 1.889 ( -5.389 -2.328 -2.733) 6.475 2.138 ( -0.021 -8.080 -7.587) 11.083 2.415 ( 13.347 4.285 11.347) 18.035 2.615 ( -2.349 -5.430 5.238) 7.902 2.738 ( 7.641 -10.769 12.798) 18.389 2.992 ( 4.020 -3.933 6.477) 8.578 3.106 ( 6.234 -11.222 7.177) 14.707 3.131 ( 1.542 -2.197 -5.547) 6.163 3.152 ( 3.644 -17.279 -0.151) 17.660 3.328 ( 2.534 -3.168 -5.892) 7.153 3.431 ( 3.931 -5.074 -3.168) 7.158 3.743 ( -0.393 -11.627 7.108) 13.633 3.819 ( 0.296 -6.431 -10.551) 12.360 3.882 ( 7.626 -2.779 6.970) 10.698 4.084 ( 4.000 4.550 -2.463) 6.540 4.150 ( -8.879 6.103 4.093) 11.526 4.290 ( -7.816 -1.922 -0.559) 8.068 4.497 ( -3.042 -0.140 8.087) 8.641 4.608 ( -7.967 -5.870 3.814) 10.606 4.628 ( 0.392 -1.865 -12.734) 12.876 4.867 ( -5.553 -2.639 -11.793) 13.299 5.054 ( -6.260 -2.769 1.237) 6.956 5.175 ( -5.705 -0.020 4.010) 6.973 5.204 ( 6.237 0.641 -8.753) 10.767 5.348 ( -3.686 -6.397 -3.613) 8.219 5.404 ( -1.367 -11.291 -5.286) 12.542 5.564 ( 0.585 -5.528 4.565) 7.193 5.700 ( 2.436 -12.144 4.883) 13.313 5.783 ( -1.844 -2.847 3.331) 4.754 6.283 ( 0.171 -1.042 -0.905) 1.391 6.709 ( -12.666 5.826 6.428) 15.352 6.972 ( -0.567 5.720 -16.711) 17.672 7.928 ( 7.695 5.854 2.753) 10.053 8.025 ( 20.451 2.993 5.984) 21.518 8.844 ( 0.442 -3.311 -0.493) 3.377 8.888 ( 0.193 -1.712 -0.605) 1.826 9.234 ( -1.529 -2.811 4.753) 5.730 9.438 ( -2.909 1.159 -1.410) 3.434 12.848 ( -1.921 1.953 5.214) 5.890 13.084 ( 2.009 3.640 2.784) 5.003 13.261 ( -5.162 4.020 -2.928) 7.168 13.281 ( -5.410 5.342 -5.150) 9.183 13.983 ( -0.994 48.896 -0.930) 48.915 14.165 ( 3.583 47.567 1.325) 47.720 15.848 ( -4.658 -3.886 0.564) 6.092 15.870 ( -4.190 -5.678 -1.098) 7.142 16.314 ( -1.410 -2.165 0.358) 2.608 16.436 ( 1.439 -15.078 -1.482) 15.219 16.461 ( 0.330 -20.069 2.167) 20.189 16.561 ( -0.997 -31.625 -2.461) 31.737 18.360 ( 4.699 0.266 -0.265) 4.714 18.450 ( 6.541 2.017 -3.953) 7.904 18.965 ( -2.848 4.577 3.390) 6.368 19.055 ( -1.517 2.877 0.022) 3.252 19.579 ( 0.509 8.503 0.064) 8.519 19.584 ( 0.614 7.208 0.060) 7.234 21.778 ( -0.679 1.157 0.314) 1.378 21.822 ( -1.403 0.181 -1.320) 1.935 23.165 ( -0.651 -17.009 1.468) 17.084 23.377 ( -0.955 -27.989 -4.939) 28.437 26.771 ( -5.455 -0.574 9.726) 11.166 27.155 ( -8.576 -0.476 -7.197) 11.206 27.675 ( 6.143 3.424 7.686) 10.418 28.231 ( 5.718 8.718 -8.069) 13.184 30.927 ( 2.527 -8.222 -0.835) 8.642 31.023 ( 5.875 -7.196 1.012) 9.344 33.749 ( 0.650 0.795 1.837) 2.104 33.930 ( 0.217 -8.184 -4.226) 9.213 ======================= Grid point 95 (37/115) ======================= q-point: ( 0.33 0.11 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.485 ( -2.816 0.089 -6.005) 6.634 1.670 ( -2.817 -1.586 0.914) 3.359 1.860 ( 6.870 -4.878 8.381) 11.884 1.912 ( 6.685 -13.263 -0.325) 14.856 2.058 ( -1.425 -11.614 -0.227) 11.704 2.253 ( 0.332 -11.657 -5.166) 12.754 2.519 ( 3.708 -2.051 1.838) 4.619 2.733 ( -2.243 -7.190 5.435) 9.288 2.956 ( 8.830 4.854 6.594) 12.042 3.012 ( 1.045 3.892 5.640) 6.932 3.163 ( 3.644 -1.157 0.013) 3.823 3.229 ( 3.938 -3.042 -7.584) 9.071 3.342 ( 2.107 -4.211 -2.934) 5.548 3.504 ( 6.175 -4.879 1.466) 8.005 3.576 ( 1.555 -0.282 2.572) 3.019 3.739 ( 3.121 -1.968 -4.902) 6.135 3.979 ( -0.114 3.021 0.828) 3.134 4.046 ( -3.096 1.147 7.554) 8.244 4.073 ( -6.371 -3.369 9.665) 12.056 4.149 ( -2.738 -14.887 0.187) 15.138 4.348 ( 3.277 -12.948 -1.991) 13.504 4.553 ( 0.454 -5.372 7.863) 9.534 4.598 ( 1.913 -8.976 -18.330) 20.499 4.684 ( -2.022 -2.999 4.129) 5.489 4.780 ( -5.051 -4.434 -7.103) 9.779 5.053 ( -4.082 -3.429 -0.325) 5.341 5.136 ( -7.073 -2.269 3.650) 8.276 5.206 ( 4.844 0.681 -7.416) 8.884 5.307 ( -3.413 -0.553 -2.833) 4.470 5.561 ( 4.263 -1.814 1.723) 4.943 5.777 ( -1.295 -0.674 3.110) 3.436 5.936 ( 1.047 -29.276 1.383) 29.327 6.223 ( 2.106 -42.658 1.894) 42.752 6.364 ( 0.123 -17.624 -0.966) 17.651 6.546 ( -10.008 -1.296 7.864) 12.794 6.789 ( -4.619 -3.760 -17.261) 18.260 7.925 ( 5.543 5.538 2.722) 8.294 8.184 ( 15.878 4.877 3.885) 17.059 8.906 ( -1.029 -5.619 -0.513) 5.735 8.943 ( -0.581 -5.536 0.404) 5.581 9.300 ( -0.990 -4.592 2.609) 5.374 9.418 ( -1.094 -1.904 -1.216) 2.511 12.795 ( -2.131 6.742 3.498) 7.889 12.990 ( -0.303 50.686 -1.409) 50.706 13.028 ( 1.384 16.669 3.375) 17.064 13.041 ( -1.222 32.379 -3.662) 32.609 13.146 ( -5.719 12.409 -0.692) 13.681 13.379 ( 0.020 44.939 -0.592) 44.943 15.869 ( -3.472 -4.155 0.842) 5.480 15.910 ( -3.593 -5.700 -1.138) 6.834 16.344 ( -1.443 -3.245 0.585) 3.600 16.523 ( 1.241 -4.828 -1.313) 5.155 16.982 ( -0.320 -34.100 1.887) 34.154 17.065 ( -1.539 -34.649 -2.498) 34.772 18.399 ( 3.972 0.824 0.071) 4.058 18.456 ( 4.719 2.772 -1.926) 5.802 18.892 ( -1.452 4.325 3.086) 5.508 18.983 ( -0.861 3.939 -0.968) 4.147 19.404 ( -0.050 13.467 0.096) 13.468 19.462 ( 0.615 9.550 -0.374) 9.577 21.753 ( -0.609 1.225 0.420) 1.431 21.798 ( -0.716 0.585 -1.080) 1.422 23.484 ( -2.493 -22.526 3.887) 22.994 23.777 ( -1.487 -28.881 -6.271) 29.591 26.787 ( -4.094 -0.523 7.280) 8.369 27.034 ( -7.364 -1.739 -5.390) 9.290 27.721 ( 7.142 5.380 5.211) 10.349 28.105 ( 3.636 8.590 -6.070) 11.129 31.119 ( 2.511 -12.833 -0.480) 13.085 31.230 ( 5.375 -10.373 0.652) 11.701 33.740 ( -1.102 2.619 3.854) 4.789 33.999 ( 0.076 -4.769 -5.364) 7.178 ======================= Grid point 96 (38/115) ======================= q-point: ( 0.44 0.11 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.411 ( -4.935 0.825 0.915) 5.087 1.706 ( 1.287 -4.881 -0.385) 5.063 2.024 ( 4.641 -2.966 4.715) 7.251 2.093 ( 3.325 -4.422 -5.308) 7.667 2.225 ( 0.648 -8.487 6.578) 10.758 2.418 ( -0.949 -11.756 -2.269) 12.010 2.527 ( -5.453 0.065 -1.330) 5.613 2.796 ( -2.259 1.173 5.524) 6.083 2.936 ( 1.519 0.494 -0.272) 1.620 3.014 ( 2.997 5.214 3.367) 6.892 3.173 ( 5.041 3.304 -3.859) 7.157 3.278 ( -0.994 0.644 2.734) 2.979 3.400 ( 2.018 -0.310 -0.546) 2.114 3.528 ( 7.359 0.913 -6.453) 9.830 3.594 ( 1.277 -2.125 1.549) 2.924 3.779 ( -0.882 1.445 -0.096) 1.695 3.887 ( -2.740 2.283 2.159) 4.169 4.037 ( -1.381 0.586 -0.898) 1.748 4.162 ( -0.797 1.567 0.952) 1.999 4.221 ( -1.197 -8.407 4.014) 9.393 4.491 ( 3.631 0.059 -1.186) 3.820 4.610 ( -2.856 -1.199 4.907) 5.803 4.645 ( -1.241 -1.676 -0.462) 2.136 4.739 ( 2.787 -6.788 -5.399) 9.110 4.924 ( 2.185 -7.847 -3.901) 9.032 5.061 ( -0.021 -2.285 1.078) 2.526 5.150 ( -5.107 -4.910 -0.014) 7.084 5.222 ( 2.874 -3.015 -2.654) 4.939 5.293 ( -1.084 -3.131 -1.212) 3.528 5.628 ( 3.952 -0.472 1.653) 4.310 5.773 ( -3.176 1.646 4.580) 5.811 6.041 ( -2.397 3.495 -1.581) 4.524 6.349 ( -3.472 4.603 3.971) 7.001 6.463 ( -2.569 5.791 -8.087) 10.273 7.227 ( 0.909 -65.747 1.555) 65.772 7.529 ( -2.585 -85.318 -3.214) 85.418 7.937 ( 3.177 -3.641 1.474) 5.052 8.309 ( 8.983 -6.552 2.485) 11.393 8.986 ( -1.459 -6.388 -0.291) 6.558 9.030 ( -1.102 -6.068 0.303) 6.175 9.373 ( -0.524 -4.118 1.095) 4.293 9.442 ( -0.333 -2.584 -0.926) 2.765 11.812 ( -0.436 84.420 -0.031) 84.421 12.033 ( 5.088 81.617 -0.303) 81.776 12.741 ( -2.539 4.977 3.421) 6.552 12.928 ( 0.079 7.395 0.252) 7.400 13.011 ( -3.876 3.304 -1.489) 5.306 13.064 ( -2.922 5.461 -1.550) 6.385 15.908 ( -1.886 -3.876 1.023) 4.430 15.953 ( -2.753 -5.093 -1.113) 5.896 16.384 ( -1.372 -3.193 1.007) 3.618 16.593 ( 1.079 -3.629 -2.045) 4.303 17.456 ( -0.466 -26.265 0.609) 26.276 17.522 ( -0.571 -26.820 -0.905) 26.842 18.416 ( 2.268 1.482 0.310) 2.727 18.446 ( 3.010 2.988 -0.427) 4.263 18.837 ( -0.891 3.250 2.348) 4.107 18.919 ( 0.254 2.886 -1.267) 3.162 19.188 ( -0.737 13.539 0.766) 13.581 19.315 ( 0.245 9.060 -1.137) 9.134 21.734 ( -0.462 0.795 0.419) 1.010 21.779 ( -0.242 0.415 -0.751) 0.891 23.791 ( -3.568 -17.196 4.775) 18.200 24.149 ( 2.192 -23.339 -4.875) 23.943 26.742 ( -6.593 1.353 1.241) 6.844 27.043 ( -0.546 -5.527 2.047) 5.919 27.713 ( 4.582 6.519 1.845) 8.179 27.975 ( 1.056 7.372 -5.742) 9.404 31.335 ( 1.692 -11.466 -0.216) 11.593 31.431 ( 3.666 -8.099 0.360) 8.897 33.685 ( -3.148 4.415 4.487) 7.038 34.053 ( 3.801 -4.399 -4.257) 7.205 ======================= Grid point 97 (39/115) ======================= q-point: (-0.44 0.11 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.393 ( -4.432 -3.274 4.804) 7.310 1.795 ( 2.628 -1.267 0.072) 2.918 2.111 ( 3.909 -0.797 0.586) 4.032 2.129 ( -4.807 1.891 -1.875) 5.496 2.195 ( -0.105 9.744 4.653) 10.799 2.516 ( -3.620 -8.583 -0.066) 9.316 2.595 ( -3.475 -11.643 0.020) 12.150 2.759 ( 2.398 4.969 2.963) 6.262 2.896 ( -2.032 5.413 -2.325) 6.232 2.982 ( 1.572 3.512 2.663) 4.679 3.131 ( 3.769 5.077 -3.825) 7.390 3.228 ( -6.354 0.263 -2.034) 6.676 3.404 ( 5.915 2.895 2.004) 6.883 3.619 ( 4.550 -1.523 -1.078) 4.917 3.653 ( -5.704 3.574 0.598) 6.757 3.712 ( 4.502 -5.906 1.678) 7.613 3.903 ( 2.273 -0.555 1.113) 2.591 3.992 ( -2.644 2.170 -0.527) 3.460 4.093 ( 0.381 3.983 -1.581) 4.303 4.368 ( 1.355 -6.611 1.861) 7.001 4.454 ( 3.254 5.817 -2.336) 7.063 4.577 ( -5.939 0.706 1.961) 6.294 4.711 ( 4.739 -0.317 0.716) 4.803 4.827 ( 1.436 -4.602 -1.709) 5.115 4.951 ( -2.825 -2.398 1.346) 3.942 5.110 ( 1.345 -1.796 -2.899) 3.666 5.121 ( -3.862 -0.299 -3.506) 5.225 5.315 ( 2.674 -2.585 -1.037) 3.861 5.395 ( 2.035 -8.469 2.643) 9.102 5.678 ( -4.234 4.219 4.575) 7.527 5.709 ( 1.441 -1.218 0.148) 1.893 5.940 ( -0.942 2.999 -3.044) 4.375 6.281 ( -2.383 3.072 3.517) 5.242 6.333 ( -5.388 0.297 -4.589) 7.083 7.714 ( 1.057 0.461 2.835) 3.061 7.987 ( 4.594 1.232 -2.696) 5.468 8.981 ( -0.620 -91.137 0.636) 91.141 8.986 ( 0.200 -40.301 1.077) 40.316 9.070 ( -0.933 -8.286 -0.261) 8.342 9.131 ( -2.539 -40.799 -0.393) 40.880 9.415 ( -0.522 -1.442 0.600) 1.647 9.470 ( 0.218 -1.375 -0.550) 1.497 10.458 ( -0.282 88.682 0.253) 88.683 10.760 ( 6.362 89.436 -1.040) 89.668 12.684 ( -1.587 1.557 2.586) 3.410 12.832 ( -0.314 4.946 0.918) 5.040 12.944 ( -2.707 -0.927 -1.670) 3.313 13.009 ( -0.835 -1.355 -1.132) 1.952 15.954 ( -0.241 -2.543 0.967) 2.731 15.991 ( -1.520 -3.526 -0.922) 3.949 16.418 ( -1.174 -1.927 1.456) 2.686 16.628 ( 1.082 -0.955 -2.538) 2.919 17.751 ( 0.307 -10.476 0.127) 10.481 17.831 ( 0.853 -12.748 -0.613) 12.792 18.405 ( 0.282 1.862 0.201) 1.894 18.422 ( 1.180 3.132 0.376) 3.368 18.799 ( -0.773 2.000 1.627) 2.691 18.891 ( 1.146 0.702 -0.707) 1.519 19.019 ( -1.656 6.085 1.183) 6.416 19.200 ( 0.034 4.118 -1.559) 4.404 21.725 ( -0.342 0.045 0.336) 0.481 21.771 ( -0.100 -0.012 -0.536) 0.545 23.963 ( -3.223 -6.222 4.392) 8.270 24.485 ( 8.287 -16.662 -4.575) 19.163 26.664 ( -5.288 0.981 2.204) 5.812 27.169 ( 1.740 -7.007 3.317) 7.945 27.643 ( 0.968 7.013 -0.235) 7.084 27.830 ( -2.030 6.693 -5.842) 9.113 31.471 ( 0.518 -3.966 -0.197) 4.005 31.531 ( 1.239 -0.660 0.235) 1.423 33.609 ( -3.755 3.050 4.428) 6.558 34.195 ( 9.391 -8.388 -4.315) 13.311 ======================= Grid point 98 (40/115) ======================= q-point: (-0.33 0.11 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.460 ( -3.633 -4.746 6.913) 9.138 1.736 ( 0.261 10.197 0.369) 10.207 1.826 ( -15.404 15.514 7.995) 23.279 2.156 ( 3.097 -2.277 -5.965) 7.096 2.226 ( 5.825 0.030 -0.906) 5.895 2.566 ( -1.532 0.735 4.126) 4.462 2.664 ( -1.489 -0.103 -0.707) 1.652 2.707 ( -3.507 8.237 -1.844) 9.141 2.806 ( 4.698 -0.023 -1.458) 4.919 2.962 ( -0.247 2.504 3.632) 4.419 3.076 ( 0.533 2.782 -0.731) 2.925 3.125 ( -5.376 -0.270 -7.328) 9.093 3.471 ( 1.103 0.199 1.644) 1.990 3.501 ( 4.124 6.429 1.693) 7.823 3.658 ( -0.766 4.608 1.369) 4.868 3.790 ( -3.275 2.993 -0.201) 4.441 3.932 ( 2.260 -2.646 2.913) 4.538 4.020 ( -1.208 -2.552 7.425) 7.944 4.045 ( 4.381 0.710 -1.905) 4.830 4.355 ( 1.046 10.724 0.165) 10.776 4.453 ( 0.826 0.819 1.762) 2.111 4.500 ( -4.985 -1.475 -0.275) 5.205 4.768 ( 5.788 -1.217 -3.459) 6.852 4.890 ( 1.659 -3.317 -2.646) 4.556 5.001 ( -0.329 -4.305 2.248) 4.868 5.044 ( -1.389 2.747 -3.999) 5.046 5.148 ( 0.014 -4.087 -1.696) 4.426 5.350 ( -1.092 -2.740 -2.850) 4.102 5.521 ( -5.083 4.608 0.349) 6.870 5.552 ( 2.937 -3.982 1.862) 5.286 5.819 ( 2.071 -6.065 4.058) 7.586 5.917 ( 0.598 -0.676 -0.461) 1.014 6.243 ( -1.661 0.918 1.571) 2.464 6.261 ( -7.028 -1.294 -2.223) 7.484 7.627 ( -2.707 11.326 2.957) 12.015 7.894 ( 1.189 10.762 -3.019) 11.241 8.928 ( -0.048 84.838 0.605) 84.840 9.047 ( -0.813 1.683 0.266) 1.888 9.068 ( -1.081 7.222 -0.007) 7.302 9.391 ( 1.064 21.983 -0.944) 22.029 9.412 ( 3.102 47.746 -3.508) 47.975 9.492 ( 2.321 17.706 1.642) 17.932 10.506 ( -0.085 -92.230 -0.804) 92.234 10.512 ( -1.097 -89.326 0.852) 89.337 12.690 ( -0.706 -1.621 2.791) 3.303 12.790 ( -0.840 0.691 2.441) 2.672 12.974 ( -0.847 -6.849 -2.013) 7.189 13.066 ( 0.498 -6.912 -1.150) 7.025 15.986 ( 0.757 -0.565 0.728) 1.192 16.015 ( -0.228 -1.266 -0.544) 1.396 16.431 ( -0.958 0.055 1.771) 2.014 16.617 ( 1.268 2.028 -2.487) 3.450 17.741 ( 0.621 12.814 0.756) 12.851 17.904 ( 2.796 5.124 -1.333) 5.987 18.369 ( -1.375 2.199 0.045) 2.594 18.383 ( -0.782 2.513 0.362) 2.656 18.778 ( -0.767 0.507 1.232) 1.537 18.923 ( 1.303 -2.750 -0.588) 3.099 19.008 ( -1.856 -6.642 1.196) 6.999 19.197 ( 0.082 -4.910 -1.430) 5.115 21.729 ( -0.196 -0.695 0.370) 0.811 21.775 ( 0.063 -1.132 -0.555) 1.262 23.958 ( -2.232 6.220 4.004) 7.727 24.776 ( 15.000 -9.438 -9.438) 20.078 26.641 ( -3.292 -0.927 7.934) 8.640 27.312 ( 2.153 -6.679 0.640) 7.047 27.528 ( -2.453 6.177 0.382) 6.657 27.657 ( -5.085 6.591 -5.515) 9.985 31.451 ( -0.407 6.386 -0.277) 6.405 31.477 ( -0.722 7.909 0.212) 7.945 33.581 ( -3.049 -1.093 4.513) 5.555 34.451 ( 14.043 -12.136 -8.354) 20.354 ======================= Grid point 99 (41/115) ======================= q-point: (-0.22 0.11 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.383 ( -3.544 16.456 4.237) 17.358 1.427 ( -15.974 17.954 21.126) 31.997 1.744 ( 2.478 -7.084 2.407) 7.881 2.152 ( 0.818 0.842 -10.169) 10.237 2.238 ( 1.633 4.619 -3.567) 6.060 2.498 ( 3.010 9.344 -1.126) 9.881 2.513 ( -1.380 9.642 -0.490) 9.752 2.581 ( -1.772 5.420 -10.109) 11.606 2.830 ( 0.905 3.357 5.257) 6.303 2.947 ( 2.013 2.723 1.830) 3.849 3.039 ( -4.465 -1.569 3.322) 5.782 3.105 ( 2.854 -0.650 0.206) 2.934 3.397 ( -1.367 5.326 0.452) 5.517 3.496 ( -2.754 11.597 2.425) 12.163 3.566 ( 5.985 2.489 2.355) 6.897 3.686 ( -4.200 4.376 0.422) 6.080 3.894 ( -0.180 14.907 0.360) 14.913 4.028 ( -3.542 -2.455 8.011) 9.096 4.093 ( 1.570 6.924 5.796) 9.165 4.305 ( -1.524 -7.538 5.264) 9.319 4.425 ( 0.074 1.407 0.297) 1.440 4.494 ( -0.742 0.233 1.123) 1.366 4.821 ( 4.138 -2.164 -6.723) 8.186 4.922 ( 3.788 3.676 -5.090) 7.332 4.977 ( -1.391 -3.514 -7.453) 8.357 5.077 ( 1.019 -2.713 1.914) 3.473 5.198 ( -0.160 -1.028 1.375) 1.725 5.380 ( 0.670 -6.125 -7.264) 9.525 5.422 ( -2.095 2.546 0.196) 3.303 5.641 ( 1.430 -3.501 -2.354) 4.455 5.922 ( -5.550 -0.729 3.099) 6.398 5.997 ( 5.168 -7.686 9.764) 13.459 6.207 ( -3.306 -1.231 0.788) 3.614 6.238 ( -0.450 -1.473 -0.890) 1.779 7.101 ( -2.453 67.856 4.195) 68.030 7.654 ( -0.799 20.304 -4.012) 20.712 7.891 ( -1.051 31.431 -0.761) 31.458 8.238 ( 2.540 62.817 -7.319) 63.293 8.982 ( -0.754 5.998 0.106) 6.046 9.004 ( -0.909 4.780 0.043) 4.866 9.333 ( -0.527 5.611 2.268) 6.075 9.456 ( 0.706 2.727 1.166) 3.049 11.865 ( -0.864 -85.072 0.327) 85.077 11.882 ( 0.697 -85.120 -1.068) 85.129 12.734 ( -0.639 -2.280 3.867) 4.534 12.827 ( -1.219 -4.512 4.071) 6.198 13.104 ( 1.001 -10.921 -1.669) 11.093 13.203 ( 0.784 -10.470 -1.738) 10.642 15.993 ( 0.822 1.329 0.562) 1.660 16.016 ( 0.478 1.077 -0.158) 1.189 16.416 ( -0.825 1.866 1.760) 2.695 16.568 ( 1.376 4.335 -2.057) 4.992 17.427 ( 0.268 27.929 1.750) 27.985 17.729 ( 3.576 20.161 -3.349) 20.748 18.319 ( -1.639 1.989 -0.088) 2.579 18.327 ( -2.312 2.270 -0.249) 3.250 18.787 ( -0.738 -1.553 2.331) 2.897 18.975 ( 0.701 -3.513 -1.086) 3.743 19.172 ( -0.701 -13.785 1.111) 13.848 19.314 ( 0.224 -10.019 -1.257) 10.100 21.746 ( -0.136 -1.386 0.389) 1.446 21.802 ( 0.458 -2.561 -0.844) 2.736 23.779 ( -1.533 16.868 3.921) 17.386 24.928 ( 16.564 2.153 -26.056) 30.950 26.747 ( -1.938 -8.000 18.990) 20.697 27.348 ( 0.648 4.648 -3.612) 5.922 27.465 ( -4.586 7.422 -3.894) 9.554 27.489 ( -3.212 -5.688 3.864) 7.590 31.284 ( -0.518 13.398 -0.177) 13.409 31.299 ( -1.254 13.095 0.122) 13.156 33.621 ( -2.035 -3.673 4.393) 6.077 34.709 ( 13.460 -9.668 -19.761) 25.790 ======================= Grid point 100 (42/115) ======================= q-point: (-0.11 0.11 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.028 ( -4.443 21.835 15.670) 27.240 1.299 ( 3.309 13.227 30.731) 33.619 1.919 ( -1.946 -9.497 -1.516) 9.812 1.989 ( -1.667 10.782 -7.880) 13.459 2.042 ( -1.119 15.574 -9.718) 18.392 2.310 ( -1.746 8.930 -7.199) 11.602 2.349 ( 0.304 14.504 -14.165) 20.276 2.472 ( 6.650 4.593 4.463) 9.232 2.762 ( -1.536 8.925 5.409) 10.548 2.957 ( 4.352 1.965 1.530) 5.015 3.092 ( 4.499 2.929 9.857) 11.224 3.139 ( -2.184 3.628 4.754) 6.367 3.173 ( -0.151 19.334 8.293) 21.038 3.346 ( -2.075 6.489 1.455) 6.967 3.551 ( -1.069 2.968 1.084) 3.335 3.604 ( 2.251 8.316 6.195) 10.611 3.690 ( 2.657 4.884 -3.986) 6.841 3.998 ( -4.651 1.068 6.579) 8.128 4.154 ( -2.109 -5.538 4.896) 7.687 4.318 ( -2.756 6.266 -0.895) 6.903 4.396 ( -1.292 2.619 0.858) 3.043 4.549 ( 1.062 -0.708 -0.039) 1.276 4.800 ( -0.840 5.875 -4.882) 7.685 4.857 ( -1.956 -4.230 -1.697) 4.960 5.026 ( 7.896 -2.691 -11.180) 13.950 5.122 ( 0.190 -1.681 0.186) 1.701 5.198 ( -0.309 0.303 -0.944) 1.039 5.363 ( -2.387 2.755 -2.346) 4.335 5.402 ( 1.581 1.176 -5.325) 5.678 5.660 ( -1.642 -0.202 -5.584) 5.823 5.843 ( -9.038 2.957 3.900) 10.279 6.001 ( -0.124 53.107 5.616) 53.403 6.166 ( -2.021 8.750 1.670) 9.134 6.270 ( 2.370 -1.048 -0.926) 2.752 6.360 ( 7.078 -14.791 15.648) 22.666 7.110 ( 2.637 30.781 -6.407) 31.551 7.650 ( 0.658 6.712 -0.999) 6.818 7.694 ( -2.570 11.669 -2.362) 12.180 8.881 ( 0.845 6.484 0.611) 6.567 8.918 ( -0.221 5.329 -0.219) 5.338 9.254 ( -0.626 5.655 3.767) 6.823 9.442 ( 0.446 0.445 2.574) 2.650 12.774 ( -1.121 -3.777 4.557) 6.024 12.905 ( -0.110 -9.404 3.434) 10.012 13.045 ( 0.554 -64.278 -2.403) 64.325 13.107 ( -0.322 -61.723 -0.366) 61.724 13.303 ( 0.271 -17.671 0.111) 17.673 13.374 ( 0.844 -14.238 -1.311) 14.323 15.971 ( -0.147 2.352 0.487) 2.406 15.991 ( 0.303 2.520 0.084) 2.540 16.380 ( -0.814 2.618 1.262) 3.018 16.497 ( 1.255 5.144 -1.534) 5.513 16.950 ( -0.290 34.653 2.298) 34.730 17.315 ( 0.281 32.819 -8.682) 33.949 18.278 ( 0.967 1.415 0.068) 1.715 18.288 ( -0.292 0.967 -0.172) 1.025 18.846 ( -1.066 -5.070 5.239) 7.368 19.031 ( 0.165 -3.674 -0.737) 3.751 19.387 ( 0.084 -13.165 0.534) 13.176 19.463 ( -0.011 -9.398 -1.171) 9.470 21.769 ( -0.214 -1.458 0.362) 1.517 21.848 ( 0.358 -3.186 -1.552) 3.562 23.477 ( -1.322 22.001 3.284) 22.284 24.609 ( 1.869 29.849 -47.319) 55.978 26.980 ( -23.481 -13.882 17.176) 32.235 27.296 ( 2.780 4.925 -0.604) 5.687 27.411 ( 24.984 -1.723 8.787) 26.540 27.571 ( -4.125 -6.911 1.120) 8.126 31.067 ( 0.528 13.631 0.124) 13.641 31.079 ( -0.560 13.349 -0.111) 13.362 33.682 ( -1.160 -3.090 3.472) 4.790 34.672 ( 1.053 8.609 -36.372) 37.392 ======================= Grid point 103 (43/115) ======================= q-point: ( 0.22 0.22 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 115 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.175 ( 4.482 0.000 -8.645) 9.738 1.594 ( 9.319 0.000 6.526) 11.377 1.726 ( -0.774 -0.000 -2.514) 2.630 1.762 ( 14.116 0.000 16.313) 21.573 1.863 ( 3.187 0.000 -10.781) 11.242 1.942 ( -6.537 -0.000 -6.375) 9.131 2.483 ( -5.227 -0.000 -1.602) 5.467 2.562 ( -2.056 -0.000 2.078) 2.923 2.792 ( -1.554 -0.000 -7.357) 7.519 2.950 ( 13.597 0.000 22.035) 25.892 3.100 ( 6.277 0.000 11.613) 13.200 3.173 ( 6.452 0.000 -1.961) 6.744 3.200 ( 9.759 0.000 6.666) 11.819 3.286 ( 5.455 0.000 -11.598) 12.816 3.466 ( 13.696 0.000 -4.264) 14.345 3.632 ( 0.391 0.000 -2.408) 2.440 3.803 ( -3.397 -0.000 1.073) 3.562 3.937 ( 4.254 0.000 3.431) 5.465 4.110 ( -12.544 -0.000 0.346) 12.549 4.159 ( 4.307 0.000 -2.007) 4.752 4.186 ( -8.314 -0.000 4.931) 9.666 4.437 ( -10.722 -0.000 4.152) 11.498 4.465 ( -2.229 -0.000 -14.481) 14.652 4.635 ( 4.545 0.000 6.440) 7.882 4.738 ( -4.400 -0.000 -6.103) 7.524 4.987 ( -3.794 -0.000 0.145) 3.797 5.098 ( -8.460 -0.000 -0.869) 8.504 5.213 ( 2.937 0.000 -7.384) 7.946 5.215 ( 0.525 0.000 3.746) 3.783 5.318 ( -2.750 -0.000 -3.599) 4.530 5.619 ( 5.040 0.000 4.959) 7.070 5.665 ( 3.066 0.000 3.990) 5.032 5.773 ( 0.476 0.000 1.178) 1.270 6.265 ( -1.224 -0.000 -1.919) 2.276 6.638 ( -13.962 -0.000 7.075) 15.652 6.899 ( -2.468 -0.000 -19.051) 19.210 8.058 ( 5.113 0.000 2.814) 5.836 8.300 ( 17.323 0.000 6.021) 18.339 8.827 ( 0.457 0.000 0.596) 0.751 8.856 ( -2.630 -0.000 -1.106) 2.853 9.221 ( -1.805 -0.000 4.271) 4.637 9.400 ( -3.022 -0.000 -2.352) 3.830 12.873 ( -1.597 -0.000 4.714) 4.977 13.128 ( 0.440 0.000 -4.136) 4.159 13.226 ( -5.148 -0.000 4.060) 6.557 13.230 ( -6.012 -0.000 -4.536) 7.532 14.395 ( -0.174 -0.000 -1.164) 1.177 14.638 ( 3.830 0.000 0.935) 3.942 15.731 ( -4.256 -0.000 -0.202) 4.261 15.766 ( -4.214 -0.000 -0.298) 4.225 16.190 ( 0.787 0.000 0.250) 0.825 16.262 ( -0.467 -0.000 0.455) 0.652 16.288 ( -0.932 -0.000 -0.993) 1.362 16.436 ( 1.148 0.000 -0.168) 1.161 18.416 ( 4.974 0.000 0.043) 4.974 18.508 ( 5.533 0.000 -3.829) 6.728 18.981 ( -3.050 -0.000 2.108) 3.707 19.060 ( -2.000 -0.000 0.246) 2.015 19.653 ( 0.362 0.000 -0.452) 0.579 19.654 ( 0.696 0.000 0.616) 0.930 21.787 ( -0.083 -0.000 0.069) 0.108 21.795 ( -1.749 -0.000 -1.083) 2.057 23.031 ( 0.565 0.000 0.104) 0.575 23.169 ( 3.047 0.000 -0.001) 3.047 26.773 ( -3.080 -0.000 8.609) 9.143 27.006 ( -9.340 -0.000 -8.571) 12.677 27.826 ( 6.428 0.000 9.854) 11.765 28.274 ( 1.260 0.000 -9.407) 9.491 30.889 ( 3.257 0.000 -0.813) 3.357 31.043 ( 6.961 0.000 0.947) 7.025 33.774 ( 1.636 0.000 0.643) 1.757 33.891 ( 3.518 0.000 -0.601) 3.569 ======================= Grid point 104 (44/115) ======================= q-point: ( 0.33 0.22 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.355 ( 2.151 -11.399 -3.452) 12.103 1.634 ( -5.340 3.446 -0.165) 6.358 1.817 ( 6.104 -9.096 -2.125) 11.159 1.865 ( 4.850 -9.939 0.750) 11.085 1.975 ( 6.812 -1.400 10.720) 12.778 2.032 ( -0.624 -11.186 -6.472) 12.938 2.494 ( -0.468 -6.875 1.164) 6.989 2.579 ( -4.166 -5.868 -0.358) 7.206 2.980 ( 0.141 -19.839 -10.035) 22.233 3.086 ( -0.481 -4.481 7.631) 8.863 3.143 ( 1.132 2.525 -0.446) 2.803 3.288 ( 8.327 1.668 -1.049) 8.556 3.337 ( 9.108 -1.351 4.481) 10.240 3.434 ( 5.146 -9.271 5.959) 12.163 3.623 ( 13.374 -2.885 -4.836) 14.511 3.695 ( 2.281 -5.492 -10.098) 11.719 3.802 ( -2.493 -8.652 7.551) 11.751 3.976 ( -8.275 0.665 2.974) 8.818 3.998 ( -7.735 0.669 2.606) 8.190 4.110 ( -1.418 -3.709 7.871) 8.815 4.219 ( 2.307 -3.815 -2.172) 4.959 4.382 ( 5.288 -2.619 -14.118) 15.302 4.466 ( -4.310 -9.345 4.049) 11.059 4.690 ( -3.180 -1.040 -1.498) 3.666 4.727 ( 5.322 0.218 4.301) 6.846 4.955 ( -1.236 -0.997 -3.954) 4.261 5.056 ( -8.725 -3.915 5.063) 10.820 5.197 ( 0.280 -0.136 -4.375) 4.386 5.260 ( -0.476 -0.672 -1.707) 1.895 5.391 ( 2.465 -17.974 0.010) 18.142 5.691 ( 5.049 -0.962 3.387) 6.156 5.793 ( 1.929 -1.532 3.548) 4.319 5.835 ( 2.724 -13.440 2.564) 13.951 6.218 ( -5.079 -0.337 -4.352) 6.698 6.523 ( -11.017 3.116 10.094) 15.263 6.709 ( -5.516 4.557 -18.356) 19.701 8.085 ( 4.120 4.737 2.916) 6.922 8.455 ( 13.431 4.302 3.428) 14.514 8.825 ( -2.385 -2.080 -0.360) 3.185 8.858 ( -2.099 -3.314 0.214) 3.929 9.245 ( -1.145 -2.766 2.521) 3.913 9.370 ( -1.315 -1.275 -2.099) 2.786 12.859 ( -1.940 2.906 4.005) 5.315 13.059 ( -3.960 1.738 -5.813) 7.245 13.118 ( -4.778 3.395 -3.074) 6.619 13.188 ( -1.211 4.977 4.897) 7.087 13.961 ( -0.162 49.368 -0.354) 49.369 14.245 ( 2.948 48.902 0.199) 48.991 15.765 ( -3.436 -5.576 0.519) 6.570 15.770 ( -3.540 -5.093 -0.807) 6.255 16.292 ( -1.107 -1.999 0.509) 2.341 16.443 ( 1.248 -14.846 -2.317) 15.077 16.497 ( 0.476 -21.140 2.014) 21.241 16.529 ( -0.395 -27.894 -0.685) 27.906 18.460 ( 4.075 0.940 0.500) 4.212 18.529 ( 4.452 1.733 -2.321) 5.312 18.942 ( -2.086 2.555 1.858) 3.786 19.019 ( -1.475 2.544 -0.469) 2.977 19.583 ( 0.278 8.869 -0.215) 8.876 19.602 ( 0.425 7.351 0.201) 7.366 21.766 ( -0.625 0.842 -0.019) 1.049 21.787 ( -0.588 0.057 -0.610) 0.849 23.171 ( -0.361 -16.111 1.395) 16.175 23.366 ( 2.097 -20.036 -1.586) 20.208 26.780 ( -4.046 1.262 4.315) 6.048 26.897 ( -5.366 -3.433 -3.744) 7.389 27.906 ( 4.984 4.355 7.675) 10.135 28.190 ( 0.723 4.829 -8.131) 9.484 30.984 ( 3.170 -7.835 -0.368) 8.460 31.169 ( 6.459 -5.937 0.444) 8.784 33.785 ( 0.811 1.542 1.474) 2.282 33.944 ( 3.074 -2.327 -1.529) 4.147 ======================= Grid point 105 (45/115) ======================= q-point: ( 0.44 0.22 -0.80) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.381 ( -5.160 1.970 1.691) 5.776 1.644 ( 2.614 -6.449 2.098) 7.268 2.002 ( -1.469 -7.736 -1.682) 8.052 2.069 ( 7.536 -3.887 2.669) 8.889 2.112 ( 5.941 -8.637 0.387) 10.490 2.170 ( -2.263 -13.706 -3.093) 14.232 2.579 ( -0.875 2.733 4.209) 5.094 2.663 ( -2.382 -9.416 -0.202) 9.715 2.938 ( -4.610 2.312 -2.289) 5.642 3.141 ( 1.092 2.250 2.571) 3.586 3.210 ( 3.567 1.306 -3.768) 5.351 3.362 ( 2.262 1.361 -0.314) 2.658 3.406 ( 2.465 -1.090 1.880) 3.286 3.566 ( 1.395 -3.408 -3.060) 4.788 3.611 ( -2.645 5.019 -0.287) 5.681 3.785 ( 1.221 -3.058 -1.003) 3.442 3.898 ( -4.071 -1.744 3.823) 5.851 3.940 ( -3.201 -0.886 0.088) 3.323 4.084 ( 2.981 -14.000 -5.326) 15.272 4.223 ( 5.809 -0.701 5.405) 7.965 4.360 ( 2.171 -12.667 -10.802) 16.788 4.527 ( 6.189 -10.617 -2.811) 12.606 4.657 ( -2.124 -1.739 6.452) 7.011 4.713 ( 3.135 -8.296 7.199) 11.422 4.769 ( 3.748 -3.486 -4.273) 6.668 4.973 ( -1.346 -5.091 -2.231) 5.719 5.076 ( -4.452 -4.166 9.408) 11.211 5.179 ( -0.505 -0.533 -2.905) 2.997 5.269 ( 1.879 -0.699 0.215) 2.016 5.675 ( 3.953 -2.864 1.229) 5.034 5.798 ( -0.290 0.204 4.036) 4.052 5.995 ( -0.519 -10.040 -0.624) 10.073 6.206 ( -1.733 -38.048 -3.782) 38.275 6.340 ( 0.078 -43.059 0.163) 43.060 6.443 ( -8.062 -5.057 4.039) 10.338 6.471 ( -7.984 1.366 -8.221) 11.541 8.047 ( 3.044 6.614 2.331) 7.645 8.502 ( 10.740 8.037 0.614) 13.428 8.861 ( -2.574 -6.202 -0.492) 6.733 8.909 ( -2.505 -6.768 0.032) 7.217 9.305 ( -0.560 -4.503 1.115) 4.673 9.386 ( -0.335 -3.053 -1.585) 3.456 12.786 ( -1.876 6.804 2.450) 7.471 12.935 ( -3.101 6.604 -3.768) 8.211 12.974 ( 0.278 38.483 -2.349) 38.556 13.043 ( -3.079 31.864 0.201) 32.013 13.097 ( 0.408 16.477 3.790) 16.913 13.375 ( 0.258 60.351 -0.545) 60.354 15.814 ( -2.503 -5.545 0.271) 6.089 15.824 ( -2.850 -6.257 -0.423) 6.889 16.326 ( -1.061 -3.219 1.110) 3.566 16.530 ( 1.056 -4.432 -1.777) 4.891 16.997 ( 0.229 -32.896 0.985) 32.911 17.033 ( -0.164 -34.369 -0.703) 34.377 18.476 ( 2.603 2.150 0.786) 3.466 18.526 ( 3.363 2.993 -0.848) 4.581 18.888 ( -1.340 3.202 1.549) 3.802 18.958 ( -0.304 3.061 -1.140) 3.280 19.405 ( -0.134 13.784 0.441) 13.791 19.462 ( -0.035 10.302 -0.510) 10.315 21.749 ( -0.322 1.203 0.529) 1.353 21.776 ( -0.342 0.087 -0.649) 0.739 23.474 ( -1.998 -21.462 3.018) 21.765 23.748 ( 2.201 -27.054 -2.914) 27.299 26.701 ( -5.116 1.680 -0.436) 5.403 26.956 ( -0.925 -6.441 3.079) 7.198 27.888 ( 2.878 7.663 3.813) 9.030 28.062 ( 0.673 7.057 -6.836) 9.848 31.170 ( 2.298 -11.869 0.144) 12.090 31.347 ( 4.691 -8.406 -0.096) 9.627 33.750 ( -1.084 4.305 2.563) 5.126 34.011 ( 3.593 -3.572 -2.412) 5.611 ======================= Grid point 106 (46/115) ======================= q-point: (-0.44 0.22 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.330 ( -5.326 -1.324 6.056) 8.173 1.801 ( 4.338 -4.272 3.117) 6.840 2.074 ( 1.814 -4.336 -4.930) 6.812 2.156 ( 3.533 -0.894 2.912) 4.665 2.317 ( -0.333 -9.190 -3.204) 9.738 2.364 ( -1.575 -13.235 -0.468) 13.337 2.431 ( -0.362 13.000 5.281) 14.037 2.726 ( -4.317 -5.663 -1.617) 7.302 2.897 ( -3.306 0.031 -1.923) 3.824 3.100 ( -0.427 5.526 6.417) 8.479 3.178 ( 2.974 2.701 -6.805) 7.903 3.271 ( -1.822 7.375 -0.753) 7.634 3.442 ( -2.479 -1.726 1.142) 3.229 3.592 ( 3.109 -3.939 -3.384) 6.052 3.639 ( 1.405 -5.263 1.547) 5.662 3.766 ( 1.901 4.976 2.972) 6.099 3.896 ( -5.911 -4.446 -0.735) 7.433 3.941 ( 1.252 1.676 2.624) 3.355 4.177 ( 5.893 2.831 -5.402) 8.481 4.319 ( 2.090 -2.771 2.537) 4.299 4.478 ( 1.547 -7.171 -7.969) 10.832 4.584 ( 2.832 5.162 -0.487) 5.908 4.713 ( 2.035 -3.761 -6.526) 7.802 4.804 ( 3.242 -2.499 6.490) 7.673 4.879 ( -5.379 -3.684 4.895) 8.153 5.017 ( -0.431 -2.309 -1.724) 2.914 5.153 ( 0.580 1.586 0.484) 1.757 5.274 ( 0.336 -10.246 3.783) 10.927 5.325 ( 5.451 -2.688 2.471) 6.561 5.715 ( -0.877 2.017 2.009) 2.979 5.743 ( -2.490 4.276 1.171) 5.085 5.926 ( -2.841 0.871 -4.601) 5.477 6.271 ( -4.449 2.322 -5.234) 7.251 6.332 ( -4.227 4.137 6.548) 8.824 7.257 ( 0.591 -72.323 0.788) 72.329 7.475 ( -0.439 -84.182 -1.688) 84.200 8.012 ( 1.675 -2.635 1.836) 3.623 8.479 ( 5.491 1.925 -1.876) 6.114 8.942 ( -1.994 -7.223 -0.018) 7.493 8.996 ( -1.688 -6.643 0.097) 6.855 9.373 ( -0.311 -3.996 0.534) 4.043 9.429 ( 0.095 -3.365 -0.909) 3.486 11.809 ( -0.158 84.423 0.739) 84.427 12.129 ( 4.691 80.664 -2.903) 80.852 12.730 ( -2.122 5.316 3.548) 6.735 12.872 ( -1.966 2.286 -3.257) 4.438 12.951 ( -2.105 3.724 0.956) 4.384 13.007 ( -1.519 5.217 0.452) 5.452 15.882 ( -1.444 -5.752 -0.103) 5.932 15.894 ( -1.465 -5.922 0.064) 6.100 16.374 ( -0.957 -3.231 1.728) 3.787 16.591 ( 1.060 -3.349 -2.182) 4.135 17.462 ( 0.338 -26.011 0.413) 26.017 17.514 ( 0.126 -27.490 -0.393) 27.493 18.457 ( 1.085 3.359 0.591) 3.579 18.499 ( 2.011 4.074 -0.009) 4.543 18.836 ( -1.027 2.820 1.115) 3.201 18.914 ( 0.584 1.782 -1.303) 2.283 19.184 ( -0.823 14.221 1.434) 14.317 19.301 ( -0.115 9.392 -1.068) 9.454 21.731 ( -0.330 0.885 0.480) 1.059 21.769 ( -0.042 0.185 -0.399) 0.442 23.771 ( -2.563 -16.893 3.693) 17.481 24.178 ( 3.947 -26.676 -4.249) 27.300 26.641 ( -3.267 0.825 2.347) 4.107 27.078 ( -0.261 -7.752 2.473) 8.141 27.787 ( 0.771 9.348 0.851) 9.418 27.912 ( 0.381 8.592 -5.619) 10.273 31.367 ( 1.165 -10.120 0.362) 10.193 31.499 ( 2.290 -5.813 -0.384) 6.260 33.669 ( -2.257 5.607 3.561) 7.015 34.120 ( 5.165 -7.457 -4.126) 9.965 ======================= Grid point 107 (47/115) ======================= q-point: (-0.33 0.22 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.379 ( -3.286 -5.242 7.648) 9.837 1.867 ( 2.929 2.701 2.612) 4.764 2.013 ( -4.513 14.906 0.729) 15.592 2.135 ( -1.185 3.075 -0.688) 3.366 2.278 ( 2.198 -1.714 0.205) 2.795 2.434 ( -1.924 -5.246 -1.523) 5.791 2.606 ( 2.975 -10.962 1.464) 11.452 2.760 ( -2.648 -3.360 -0.182) 4.282 2.804 ( -2.222 2.072 -4.887) 5.754 3.021 ( -3.052 6.149 2.853) 7.434 3.109 ( -1.804 6.902 -2.547) 7.574 3.168 ( 5.852 3.631 -1.567) 7.063 3.461 ( -1.219 -0.984 0.695) 1.714 3.638 ( 4.055 1.085 -1.930) 4.620 3.686 ( 0.139 0.294 2.361) 2.384 3.798 ( -2.267 0.899 1.696) 2.971 3.925 ( 0.530 -5.078 2.691) 5.772 3.956 ( -1.936 -2.785 5.552) 6.506 4.117 ( 3.614 6.012 -3.534) 7.855 4.389 ( -1.545 -4.987 0.833) 5.286 4.503 ( -0.416 1.552 -2.839) 3.262 4.531 ( 6.455 6.304 -2.666) 9.408 4.735 ( -1.038 -3.956 -7.258) 8.331 4.836 ( -2.602 -0.815 1.571) 3.146 4.951 ( -0.904 -3.788 4.316) 5.813 5.048 ( 3.846 -1.365 0.458) 4.106 5.133 ( 0.477 1.234 1.275) 1.837 5.310 ( 0.219 0.987 -2.070) 2.304 5.486 ( -1.070 -4.352 2.322) 5.047 5.578 ( -3.566 3.288 1.270) 5.014 5.768 ( 1.048 -3.305 0.463) 3.498 5.912 ( 1.784 -1.432 -1.830) 2.930 6.199 ( -2.234 1.657 0.773) 2.887 6.265 ( -2.662 2.982 2.849) 4.908 7.746 ( -0.776 4.028 2.113) 4.614 8.037 ( 2.961 1.900 -3.528) 4.982 8.975 ( -0.700 -87.748 -0.117) 87.751 9.017 ( 0.178 -6.869 0.927) 6.934 9.044 ( -0.490 -53.520 -0.776) 53.527 9.066 ( -1.462 -31.409 -0.337) 31.445 9.415 ( -0.258 -1.138 0.804) 1.417 9.471 ( 0.305 -1.934 -0.322) 1.984 10.463 ( -0.045 88.791 1.180) 88.799 10.835 ( 2.869 88.277 -4.888) 88.459 12.685 ( -1.576 0.764 3.215) 3.661 12.834 ( 0.443 2.625 0.046) 2.663 12.886 ( -1.654 -0.705 0.496) 1.865 12.985 ( 0.033 -2.706 -1.090) 2.918 15.951 ( -0.369 -4.244 0.124) 4.262 15.966 ( -0.389 -4.391 0.026) 4.408 16.417 ( -0.851 -1.938 2.137) 3.008 16.625 ( 1.304 -0.991 -2.267) 2.797 17.768 ( 0.443 -11.028 0.678) 11.057 17.842 ( 0.762 -14.207 -0.821) 14.251 18.407 ( -0.031 3.921 0.033) 3.921 18.444 ( 0.387 4.787 0.077) 4.803 18.794 ( -0.943 1.890 0.740) 2.239 18.905 ( 0.868 -0.491 -1.276) 1.619 19.005 ( -1.337 7.371 2.410) 7.869 19.184 ( 0.363 4.123 -1.371) 4.360 21.724 ( -0.231 -0.007 0.493) 0.545 21.765 ( 0.106 -0.005 -0.347) 0.363 23.953 ( -2.167 -6.673 4.125) 8.139 24.573 ( 5.145 -21.924 -8.321) 24.008 26.636 ( -2.083 -0.638 6.805) 7.146 27.205 ( -0.599 -8.227 0.209) 8.251 27.642 ( -0.412 9.573 -0.110) 9.582 27.747 ( 0.749 9.816 -4.061) 10.649 31.480 ( 0.347 -2.607 0.230) 2.640 31.548 ( 0.278 1.253 -0.398) 1.344 33.596 ( -2.302 3.162 4.860) 6.238 34.301 ( 5.519 -12.665 -8.446) 16.193 ======================= Grid point 108 (48/115) ======================= q-point: (-0.22 0.22 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.481 ( -1.425 -5.039 7.453) 9.109 1.690 ( -7.129 19.866 11.578) 24.073 1.839 ( 6.297 8.146 3.773) 10.966 2.096 ( -1.795 -0.456 -6.329) 6.595 2.288 ( 0.008 2.694 -2.059) 3.391 2.423 ( -4.092 -0.088 -6.334) 7.541 2.662 ( 1.487 3.580 -3.096) 4.962 2.741 ( 3.088 6.964 2.711) 8.085 2.859 ( 0.758 -4.976 -0.004) 5.033 2.939 ( -2.784 -0.707 0.444) 2.907 2.995 ( -1.010 1.096 0.090) 1.493 3.191 ( 7.620 3.243 0.661) 8.308 3.436 ( -0.280 2.040 -1.032) 2.303 3.619 ( -0.719 5.055 0.273) 5.113 3.672 ( -5.479 6.312 0.865) 8.403 3.710 ( 3.410 1.626 2.728) 4.660 3.964 ( -5.957 2.306 3.821) 7.444 3.985 ( -0.899 -2.918 1.582) 3.439 4.183 ( 2.370 -7.629 4.888) 9.365 4.368 ( -3.318 10.437 2.166) 11.164 4.467 ( 3.596 5.717 0.619) 6.782 4.483 ( 1.568 -2.035 0.523) 2.622 4.747 ( -0.960 -4.304 -7.728) 8.898 4.844 ( -2.667 -4.923 -4.598) 7.245 4.982 ( 1.502 0.256 -1.087) 1.872 5.081 ( 3.253 1.396 -1.900) 4.018 5.193 ( 0.331 -1.347 4.034) 4.266 5.300 ( 3.000 -2.678 -0.375) 4.039 5.437 ( -3.252 1.999 -0.223) 3.824 5.592 ( -0.248 -1.810 -2.161) 2.829 5.856 ( -3.677 -4.639 3.531) 6.893 5.973 ( 3.414 -4.890 3.428) 6.878 6.191 ( 2.542 -1.117 0.634) 2.848 6.219 ( -1.136 1.523 0.548) 1.977 7.606 ( -1.950 13.186 2.300) 13.526 7.884 ( 1.480 13.151 -3.728) 13.749 8.933 ( -0.469 84.055 1.215) 84.065 9.044 ( 0.133 5.020 0.773) 5.081 9.054 ( -0.053 2.750 0.118) 2.753 9.374 ( 0.393 60.179 -7.435) 60.638 9.408 ( -0.329 5.014 1.236) 5.174 9.529 ( -0.027 23.916 -0.917) 23.934 10.495 ( -0.788 -89.516 0.103) 89.519 10.510 ( 0.856 -92.081 -0.202) 92.085 12.706 ( -1.327 -2.599 3.514) 4.568 12.803 ( -1.212 0.339 3.334) 3.563 12.964 ( 1.874 -7.857 -0.889) 8.126 13.059 ( 0.449 -7.194 -1.704) 7.407 15.995 ( -0.351 -1.560 0.422) 1.654 16.014 ( 0.318 -1.832 0.026) 1.860 16.435 ( -0.813 0.187 2.097) 2.256 16.621 ( 1.503 1.889 -2.050) 3.167 17.765 ( -0.147 12.528 1.750) 12.650 17.927 ( 0.750 4.151 -1.845) 4.604 18.348 ( -0.200 3.185 -0.248) 3.201 18.366 ( -0.554 4.456 -0.399) 4.509 18.776 ( -0.669 -0.219 1.228) 1.416 18.922 ( -0.170 -2.372 -1.738) 2.946 19.008 ( -0.085 -6.817 2.614) 7.302 19.187 ( 0.743 -4.823 -1.583) 5.130 21.730 ( -0.190 -0.718 0.462) 0.875 21.773 ( 0.350 -1.175 -0.452) 1.307 23.966 ( -1.812 5.758 4.881) 7.763 24.806 ( 1.694 -10.697 -17.681) 20.734 26.696 ( -3.494 -3.728 12.146) 13.177 27.315 ( -1.496 -8.226 -1.879) 8.569 27.505 ( 0.591 7.948 0.372) 7.978 27.603 ( 4.905 9.310 -1.437) 10.621 31.448 ( 0.306 7.100 0.049) 7.107 31.465 ( -0.328 8.839 -0.277) 8.850 33.590 ( -1.854 -1.188 6.045) 6.434 34.484 ( 1.431 -13.248 -16.077) 20.881 ======================= Grid point 109 (49/115) ======================= q-point: (-0.11 0.22 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.427 ( 1.447 18.495 15.790) 24.362 1.601 ( 1.377 -4.176 9.767) 10.711 1.832 ( 6.725 5.660 5.588) 10.416 2.004 ( -3.832 2.993 -7.704) 9.110 2.156 ( -3.120 9.806 -4.035) 11.054 2.317 ( -0.648 4.132 -7.263) 8.381 2.578 ( 4.053 11.783 -5.647) 13.680 2.653 ( 6.035 7.352 1.825) 9.685 2.824 ( -4.585 1.787 1.646) 5.189 2.978 ( -1.546 -2.300 2.337) 3.625 3.096 ( 3.706 -6.794 0.311) 7.745 3.234 ( 6.888 3.103 3.341) 8.260 3.385 ( 0.077 5.131 -0.203) 5.136 3.468 ( -3.556 8.303 2.123) 9.279 3.579 ( -3.029 2.469 3.000) 4.927 3.722 ( 4.965 3.173 -1.903) 6.192 3.880 ( -3.257 3.823 3.233) 5.973 4.023 ( -2.816 0.769 5.262) 6.017 4.141 ( -3.013 12.193 8.191) 14.995 4.298 ( -3.723 -3.940 3.723) 6.576 4.425 ( 0.992 2.166 -1.306) 2.717 4.571 ( 3.443 -0.806 2.266) 4.199 4.740 ( -5.237 -3.458 -2.471) 6.744 4.825 ( -0.729 1.712 -7.269) 7.503 5.015 ( 8.129 -1.620 -7.247) 11.011 5.086 ( 0.231 -1.364 -3.976) 4.210 5.186 ( -2.508 0.090 1.782) 3.077 5.370 ( -3.143 1.898 -0.239) 3.679 5.393 ( 2.939 -0.257 -0.885) 3.080 5.587 ( -1.958 -1.405 -4.445) 5.056 5.820 ( -5.755 2.113 4.355) 7.520 6.157 ( -5.156 -4.591 3.376) 7.684 6.262 ( 8.187 -10.304 3.571) 13.636 6.300 ( 7.118 -3.684 1.719) 8.197 7.127 ( -0.849 62.885 5.935) 63.170 7.646 ( 4.762 27.790 -4.469) 28.547 7.851 ( -1.447 31.889 -1.283) 31.948 8.133 ( -1.170 59.658 -9.119) 60.362 8.992 ( 1.151 5.488 0.432) 5.624 9.000 ( 0.511 5.000 -0.204) 5.030 9.353 ( -0.507 5.085 2.778) 5.817 9.474 ( -0.241 1.877 0.652) 2.002 11.846 ( -0.790 -84.838 -0.301) 84.842 11.897 ( 1.560 -84.700 -0.482) 84.716 12.757 ( -1.802 -3.147 4.457) 5.746 12.856 ( -0.851 -5.389 4.725) 7.218 13.125 ( 1.719 -10.306 -1.442) 10.547 13.183 ( -0.268 -10.153 -2.536) 10.469 15.991 ( -1.555 1.087 0.425) 1.944 16.024 ( 0.175 1.179 0.135) 1.200 16.417 ( -0.953 2.194 1.501) 2.824 16.578 ( 1.443 4.315 -1.671) 4.847 17.450 ( -0.759 27.860 2.827) 28.014 17.693 ( -2.192 22.619 -4.611) 23.188 18.313 ( 1.166 1.669 -0.237) 2.050 18.321 ( 2.115 1.624 -0.312) 2.685 18.802 ( -0.682 -2.700 2.941) 4.050 18.962 ( -0.300 -4.066 -1.640) 4.394 19.185 ( 0.081 -13.173 1.548) 13.264 19.306 ( 0.746 -9.673 -1.620) 9.836 21.745 ( -0.360 -1.286 0.376) 1.388 21.801 ( 0.304 -2.220 -0.868) 2.403 23.796 ( -1.992 17.085 5.314) 18.003 24.654 ( -7.415 11.513 -26.649) 29.961 26.778 ( -8.693 -4.198 13.819) 16.857 27.379 ( -7.753 -2.177 -0.876) 8.101 27.430 ( 5.552 0.293 -2.246) 5.996 27.644 ( 16.644 -1.051 3.246) 16.990 31.286 ( 0.426 13.468 -0.181) 13.476 31.296 ( 1.334 12.939 0.099) 13.008 33.646 ( -1.428 -3.202 6.100) 7.036 34.483 ( -6.776 -3.227 -22.909) 24.107 ======================= Grid point 113 (50/115) ======================= q-point: ( 0.33 0.33 -0.80) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 115 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.281 ( 8.824 0.000 -0.311) 8.830 1.646 ( -4.158 -0.000 2.810) 5.018 1.765 ( 2.914 0.000 1.606) 3.327 1.774 ( -4.008 -0.000 -0.969) 4.123 1.976 ( 14.030 0.000 -6.461) 15.446 2.051 ( -1.502 -0.000 6.573) 6.743 2.339 ( -1.060 -0.000 -7.248) 7.325 2.484 ( -4.487 -0.000 -1.580) 4.757 2.768 ( 6.426 0.000 -1.472) 6.592 3.090 ( -2.295 -0.000 -7.385) 7.733 3.173 ( 0.941 0.000 9.417) 9.464 3.299 ( 7.027 0.000 -7.796) 10.496 3.444 ( -4.046 -0.000 -1.294) 4.248 3.445 ( 5.000 0.000 9.699) 10.912 3.577 ( -2.843 -0.000 -5.261) 5.980 3.724 ( 6.598 0.000 -2.489) 7.052 3.755 ( -9.476 -0.000 7.327) 11.979 3.916 ( -5.265 -0.000 -2.329) 5.758 3.947 ( 2.154 0.000 3.211) 3.867 4.116 ( 0.057 0.000 8.949) 8.949 4.250 ( 1.449 0.000 5.715) 5.895 4.363 ( 11.129 0.000 -19.679) 22.607 4.370 ( 1.549 0.000 1.293) 2.018 4.665 ( 2.096 0.000 0.883) 2.274 4.802 ( 3.622 0.000 5.423) 6.521 4.920 ( -7.667 -0.000 0.254) 7.671 4.968 ( 3.604 0.000 -3.867) 5.286 5.186 ( 0.020 0.000 -1.201) 1.201 5.261 ( -0.084 -0.000 2.236) 2.237 5.303 ( 2.705 0.000 3.094) 4.110 5.754 ( 2.455 0.000 0.278) 2.471 5.782 ( 5.394 0.000 1.997) 5.752 5.849 ( 2.849 0.000 6.325) 6.937 6.117 ( -8.703 -0.000 -5.413) 10.249 6.505 ( -9.721 -0.000 13.612) 16.727 6.558 ( -8.316 -0.000 -19.189) 20.913 8.173 ( 2.530 0.000 2.560) 3.599 8.607 ( 7.309 0.000 1.779) 7.522 8.771 ( -3.613 -0.000 -0.282) 3.624 8.824 ( -0.646 -0.000 -0.947) 1.146 9.224 ( -0.959 -0.000 1.718) 1.968 9.335 ( -0.721 -0.000 -2.423) 2.528 12.886 ( -1.779 -0.000 3.656) 4.066 12.995 ( -4.442 -0.000 -4.103) 6.047 13.074 ( -4.256 -0.000 -2.594) 4.984 13.244 ( -0.349 -0.000 2.828) 2.850 14.392 ( 0.344 0.000 0.466) 0.579 14.709 ( 2.423 0.000 -0.431) 2.461 15.675 ( -1.289 -0.000 0.385) 1.345 15.693 ( -2.112 -0.000 -0.394) 2.148 16.194 ( -0.107 -0.000 -0.555) 0.565 16.232 ( -0.531 -0.000 -2.771) 2.822 16.283 ( -0.951 -0.000 3.135) 3.276 16.457 ( 0.810 0.000 -0.106) 0.817 18.512 ( 3.186 0.000 1.138) 3.383 18.576 ( 3.692 0.000 -1.440) 3.963 18.947 ( -1.924 -0.000 0.964) 2.152 19.019 ( -1.448 -0.000 -0.661) 1.592 19.656 ( 0.244 0.000 -0.260) 0.356 19.669 ( 0.245 0.000 0.228) 0.334 21.759 ( -0.794 -0.000 -0.323) 0.857 21.789 ( 0.182 0.000 -0.073) 0.196 23.049 ( 0.667 0.000 0.635) 0.921 23.229 ( 2.610 0.000 -0.608) 2.680 26.763 ( -4.718 -0.000 -5.172) 7.000 26.815 ( -2.005 -0.000 6.953) 7.236 28.022 ( 2.153 0.000 6.348) 6.703 28.185 ( 0.613 0.000 -8.162) 8.185 30.956 ( 3.101 0.000 0.138) 3.104 31.192 ( 5.917 0.000 -0.220) 5.921 33.818 ( 1.491 0.000 0.861) 1.721 33.957 ( 3.187 0.000 -0.925) 3.318 ======================= Grid point 114 (51/115) ======================= q-point: ( 0.44 0.33 -0.80) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.404 ( 0.621 2.287 4.519) 5.103 1.601 ( 2.174 -3.706 3.554) 5.576 1.847 ( -2.101 -8.386 2.104) 8.897 1.921 ( -2.242 -12.723 -0.055) 12.919 2.063 ( -3.618 -4.067 3.406) 6.421 2.119 ( 13.230 -3.753 -3.069) 14.091 2.461 ( -1.892 -5.254 -5.287) 7.690 2.571 ( 4.860 -18.780 -0.577) 19.407 2.932 ( 1.192 -0.999 -4.206) 4.484 3.018 ( 1.327 -11.135 -7.176) 13.313 3.252 ( -0.364 -1.359 8.351) 8.469 3.340 ( -0.593 -0.610 -4.152) 4.239 3.359 ( -2.442 -1.497 -5.275) 6.003 3.464 ( -5.806 -1.992 -1.253) 6.265 3.562 ( -4.775 -5.195 -0.021) 7.056 3.709 ( -4.698 -1.760 4.531) 6.760 3.792 ( -3.453 0.211 2.717) 4.399 3.904 ( 1.368 -10.308 -6.485) 12.254 4.004 ( 5.372 -0.107 -0.605) 5.407 4.231 ( 6.451 -6.351 8.701) 12.556 4.324 ( 7.016 0.892 -0.822) 7.120 4.411 ( 4.302 -5.475 -12.658) 14.447 4.476 ( -4.203 -13.163 10.962) 17.638 4.755 ( 9.571 -1.029 3.077) 10.106 4.823 ( -1.503 3.950 -3.820) 5.697 4.899 ( -0.464 -5.135 8.417) 9.871 5.008 ( 3.628 -2.257 -4.244) 6.023 5.183 ( -0.258 0.485 2.279) 2.344 5.296 ( 3.645 -2.582 0.763) 4.531 5.454 ( 2.842 -14.520 -0.001) 14.795 5.806 ( 3.118 -1.742 -0.519) 3.609 5.866 ( -0.806 -5.266 1.207) 5.463 5.923 ( -0.569 -3.272 2.534) 4.177 5.985 ( -8.141 -2.150 -2.182) 8.698 6.358 ( -4.485 1.946 -13.922) 14.756 6.463 ( -9.087 2.617 13.145) 16.193 8.171 ( 1.171 4.243 1.876) 4.785 8.680 ( 5.284 -0.118 1.081) 5.394 8.763 ( -1.764 -1.714 -1.409) 2.834 8.797 ( -1.955 -1.453 -2.320) 3.364 9.245 ( -0.789 -2.862 0.812) 3.078 9.333 ( 0.007 -2.006 -2.158) 2.946 12.854 ( -2.267 3.634 2.884) 5.164 12.924 ( -2.905 1.516 -2.615) 4.192 13.014 ( -2.107 1.488 -1.467) 2.967 13.208 ( -0.546 5.371 0.454) 5.418 13.971 ( 0.232 49.670 1.783) 49.703 14.292 ( 1.757 49.400 -1.165) 49.445 15.706 ( -1.521 -4.322 -0.498) 4.609 15.717 ( -1.778 -4.498 0.436) 4.856 16.279 ( -0.668 -2.613 0.602) 2.764 16.438 ( 1.119 -16.158 -2.880) 16.450 16.521 ( 0.241 -28.730 0.565) 28.736 16.526 ( -0.416 -19.005 1.617) 19.078 18.537 ( 1.916 1.451 1.616) 2.896 18.593 ( 2.846 1.690 -0.259) 3.320 18.918 ( -1.462 1.796 0.485) 2.366 18.986 ( -0.606 1.870 -1.217) 2.312 19.586 ( 0.088 8.816 0.023) 8.816 19.607 ( 0.028 7.836 -0.079) 7.836 21.756 ( -0.314 -0.294 0.210) 0.479 21.780 ( 0.072 1.116 -0.101) 1.123 23.182 ( -0.205 -14.957 1.605) 15.044 23.396 ( 1.941 -18.171 -1.626) 18.346 26.688 ( -2.153 2.024 -0.393) 2.981 26.871 ( -1.951 -4.968 4.399) 6.916 28.022 ( -0.061 4.686 2.964) 5.545 28.120 ( 1.583 4.017 -7.109) 8.318 31.046 ( 2.232 -7.267 0.806) 7.645 31.285 ( 4.063 -5.122 -0.984) 6.611 33.815 ( 0.462 2.800 1.403) 3.165 33.994 ( 2.621 -1.599 -1.529) 3.430 ======================= Grid point 115 (52/115) ======================= q-point: ( 0.56 0.33 -0.80) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.341 ( -3.109 4.135 8.878) 10.275 1.789 ( 5.102 -6.542 4.167) 9.284 1.941 ( -3.423 -9.464 -0.335) 10.070 2.117 ( 1.167 -13.151 -0.234) 13.205 2.125 ( -1.813 -6.243 0.410) 6.514 2.299 ( 8.471 -2.976 -0.296) 8.984 2.482 ( -4.208 -5.085 -4.219) 7.834 2.734 ( 4.289 8.707 0.252) 9.709 2.816 ( -4.693 -1.526 -5.015) 7.036 3.135 ( -2.901 -2.252 -1.167) 3.854 3.215 ( -0.655 2.292 -0.531) 2.442 3.301 ( -3.263 -0.723 -2.303) 4.059 3.390 ( 1.509 -1.563 -0.405) 2.210 3.523 ( -1.966 -2.507 -1.053) 3.356 3.585 ( 0.411 -6.309 2.748) 6.894 3.780 ( -4.200 -2.335 3.788) 6.119 3.809 ( 0.240 -6.105 -1.049) 6.199 3.990 ( -0.268 0.586 2.185) 2.278 4.141 ( 6.561 -12.661 -9.372) 17.064 4.357 ( 4.730 0.581 -3.356) 5.829 4.385 ( 8.443 -0.333 -9.668) 12.840 4.516 ( -2.613 -12.287 -0.797) 12.587 4.663 ( -4.847 -1.480 0.799) 5.131 4.767 ( -3.630 -5.919 7.151) 9.968 4.891 ( 4.125 0.498 9.910) 10.745 5.042 ( 6.939 0.683 0.550) 6.995 5.098 ( 1.461 -12.471 3.675) 13.083 5.191 ( -0.478 0.150 4.874) 4.900 5.400 ( 7.280 0.169 1.360) 7.408 5.669 ( -11.252 -3.463 -1.887) 11.923 5.786 ( 1.074 2.142 -1.230) 2.693 5.856 ( -5.420 -1.391 -4.095) 6.934 6.178 ( 2.070 -49.112 -4.645) 49.375 6.295 ( 1.216 -20.490 -2.263) 20.650 6.360 ( 1.602 -28.355 3.033) 28.562 6.386 ( -6.120 -0.456 8.830) 10.754 8.102 ( -0.166 6.205 1.626) 6.417 8.635 ( 3.099 9.720 -5.776) 11.724 8.806 ( -0.939 -7.806 0.648) 7.889 8.865 ( -1.300 -7.792 0.212) 7.902 9.301 ( -0.559 -4.768 0.317) 4.811 9.369 ( 0.377 -3.595 -1.530) 3.925 12.769 ( -1.756 6.383 1.459) 6.779 12.861 ( -0.092 3.383 -1.892) 3.877 12.960 ( 0.304 16.269 -1.149) 16.312 12.992 ( -1.033 38.332 -1.436) 38.373 13.141 ( -0.449 27.651 3.773) 27.911 13.374 ( 0.308 66.987 -1.083) 66.997 15.772 ( -0.652 -6.109 -0.308) 6.151 15.785 ( -1.237 -6.201 0.213) 6.327 16.324 ( -0.649 -3.328 1.772) 3.826 16.529 ( 0.953 -4.376 -2.108) 4.950 17.009 ( -0.207 -32.738 0.645) 32.745 17.030 ( 0.312 -34.102 -0.272) 34.104 18.525 ( 0.689 3.078 1.562) 3.520 18.580 ( 1.767 3.459 0.445) 3.909 18.870 ( -1.195 2.594 0.173) 2.861 18.943 ( 0.268 2.248 -1.518) 2.725 19.407 ( -0.285 13.875 0.727) 13.897 19.456 ( 0.110 10.804 -0.408) 10.812 21.749 ( -0.257 1.296 0.513) 1.417 21.769 ( 0.180 0.069 -0.189) 0.270 23.471 ( -1.305 -20.484 2.734) 20.706 23.762 ( 1.819 -27.134 -3.120) 27.374 26.655 ( -0.486 1.584 3.546) 3.914 26.964 ( -1.707 -7.005 2.142) 7.522 27.923 ( -1.421 7.750 -0.018) 7.879 28.019 ( 2.505 7.151 -5.563) 9.400 31.215 ( 1.023 -10.955 1.226) 11.071 31.410 ( 1.684 -7.416 -1.429) 7.738 33.759 ( -0.816 5.487 2.483) 6.078 34.049 ( 2.235 -4.066 -3.087) 5.573 ======================= Grid point 116 (53/115) ======================= q-point: (-0.33 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.348 ( -1.441 -0.842 9.716) 9.859 1.907 ( 0.464 -3.124 5.608) 6.436 2.038 ( 1.318 -3.426 -7.680) 8.512 2.166 ( -3.429 -2.404 -3.385) 5.385 2.281 ( 0.834 1.233 3.074) 3.416 2.382 ( -0.781 -3.990 6.580) 7.735 2.502 ( 1.696 -6.249 -1.512) 6.649 2.651 ( -3.018 -1.500 -1.868) 3.853 2.742 ( -1.609 0.179 -8.108) 8.268 3.102 ( -2.174 3.706 2.573) 5.008 3.160 ( 0.695 4.770 -7.001) 8.500 3.288 ( 4.615 2.355 3.883) 6.475 3.449 ( 1.558 -1.603 1.442) 2.660 3.535 ( -3.254 -7.687 -0.936) 8.400 3.744 ( 0.752 1.168 -1.066) 1.751 3.792 ( 1.387 -4.143 4.281) 6.117 3.842 ( -1.877 -3.158 1.759) 4.073 3.974 ( -1.879 0.792 5.550) 5.913 4.211 ( 1.825 2.417 -5.600) 6.367 4.340 ( -0.010 0.828 -2.602) 2.731 4.461 ( 4.623 -3.868 -9.302) 11.084 4.544 ( -2.797 -5.652 -11.275) 12.918 4.675 ( 3.478 1.260 2.967) 4.742 4.800 ( -7.134 -0.984 5.227) 8.898 4.942 ( -0.055 0.908 4.394) 4.487 5.123 ( 7.419 -0.240 3.678) 8.284 5.161 ( -1.552 1.512 4.562) 5.050 5.323 ( 2.107 -3.950 1.753) 4.808 5.418 ( -4.547 -0.434 0.143) 4.570 5.569 ( -1.545 0.082 0.051) 1.548 5.748 ( -1.527 0.734 -2.846) 3.312 5.863 ( 1.396 -4.457 -2.914) 5.505 6.272 ( -5.060 4.611 5.783) 8.961 6.351 ( 8.329 6.508 4.990) 11.688 7.272 ( -0.163 -75.051 1.111) 75.059 7.450 ( 0.427 -83.814 -2.644) 83.857 8.039 ( -1.335 -3.836 2.082) 4.565 8.475 ( -1.016 3.957 -6.910) 8.028 8.930 ( 0.546 -7.291 1.062) 7.388 8.975 ( -0.246 -6.857 -0.010) 6.862 9.372 ( -0.334 -4.400 0.384) 4.429 9.425 ( 0.394 -3.753 -0.819) 3.861 11.823 ( -0.007 84.329 1.817) 84.349 12.133 ( 0.344 80.697 -6.071) 80.925 12.719 ( -2.719 4.607 2.926) 6.098 12.850 ( 2.649 0.429 -0.675) 2.767 12.939 ( -0.389 5.443 1.392) 5.632 12.991 ( 0.097 4.385 -0.136) 4.388 15.867 ( 0.108 -6.157 0.081) 6.158 15.876 ( -0.110 -6.445 -0.115) 6.447 16.381 ( -0.641 -3.209 2.356) 4.033 16.590 ( 1.138 -3.527 -2.206) 4.314 17.469 ( -0.293 -26.400 0.474) 26.406 17.513 ( 0.331 -27.518 -0.520) 27.525 18.477 ( -0.118 4.365 1.004) 4.480 18.527 ( 0.298 5.182 0.318) 5.200 18.819 ( -1.126 2.393 0.146) 2.649 18.911 ( 0.610 1.332 -1.501) 2.097 19.186 ( -0.665 14.258 1.766) 14.382 19.296 ( 0.778 9.571 -0.742) 9.631 21.731 ( -0.209 0.871 0.576) 1.065 21.769 ( 0.336 0.281 -0.220) 0.490 23.768 ( -1.695 -16.822 3.674) 17.301 24.183 ( 1.635 -27.005 -5.627) 27.633 26.666 ( 0.262 0.766 6.819) 6.867 27.065 ( -1.822 -7.703 -0.386) 7.925 27.772 ( -1.661 8.610 -1.374) 8.876 27.897 ( 3.522 9.144 -3.776) 10.501 31.391 ( 0.130 -9.282 1.165) 9.356 31.511 ( -0.239 -5.216 -1.389) 5.403 33.674 ( -1.492 5.763 4.128) 7.245 34.133 ( 1.349 -7.693 -6.214) 9.981 ======================= Grid point 117 (54/115) ======================= q-point: (-0.22 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.424 ( -1.553 -3.663 8.249) 9.158 1.926 ( -1.277 9.026 -5.446) 10.619 1.997 ( 1.842 0.327 7.226) 7.464 2.069 ( -1.682 4.326 0.592) 4.679 2.304 ( 1.900 1.212 -1.662) 2.800 2.398 ( -3.344 1.512 3.986) 5.418 2.594 ( -6.169 -5.854 -2.354) 8.824 2.723 ( 2.319 -11.636 -1.144) 11.920 2.786 ( 6.528 -4.188 -4.126) 8.785 2.997 ( -0.870 7.622 0.633) 7.698 3.044 ( -0.548 6.192 -3.354) 7.063 3.329 ( 6.787 2.882 1.422) 7.510 3.446 ( -0.371 1.301 -2.708) 3.027 3.645 ( -3.070 -1.849 0.486) 3.617 3.672 ( -5.030 0.897 4.799) 7.010 3.757 ( -0.275 1.458 1.932) 2.436 3.929 ( -3.613 -2.877 0.560) 4.652 3.977 ( -1.490 2.825 2.407) 3.999 4.184 ( 4.084 0.804 1.012) 4.284 4.332 ( -4.375 -3.880 -2.009) 6.183 4.470 ( 1.915 -2.390 -3.065) 4.333 4.589 ( 2.172 -5.206 -9.905) 11.399 4.682 ( 1.729 6.312 5.706) 8.682 4.741 ( -4.662 -0.986 -0.476) 4.789 4.962 ( 0.226 -2.410 0.856) 2.567 5.138 ( 1.323 2.299 -0.417) 2.685 5.225 ( 2.022 0.269 4.173) 4.645 5.333 ( 1.408 0.316 2.437) 2.832 5.412 ( 0.582 -0.955 -1.334) 1.741 5.566 ( -0.782 0.886 -1.198) 1.683 5.751 ( -2.923 -5.302 1.593) 6.261 5.942 ( 2.298 -3.962 -2.129) 5.051 6.196 ( -2.512 1.246 1.349) 3.112 6.344 ( 7.497 8.143 4.178) 11.831 7.732 ( -2.534 4.018 1.974) 5.144 8.024 ( -0.028 3.677 -4.071) 5.486 8.950 ( -1.354 -78.207 -0.537) 78.220 8.984 ( 0.259 -48.615 -0.206) 48.616 9.057 ( 0.347 -5.967 0.102) 5.978 9.088 ( 2.214 -49.989 0.108) 50.038 9.420 ( -0.288 -1.629 0.905) 1.886 9.473 ( 0.161 -2.481 -0.326) 2.508 10.482 ( -0.094 88.999 2.338) 89.030 10.768 ( -2.070 89.200 -6.947) 89.494 12.681 ( -1.840 -0.285 2.632) 3.224 12.841 ( -1.546 4.444 1.527) 4.947 12.905 ( 3.655 -3.058 -0.370) 4.780 12.993 ( 1.571 -1.606 -0.639) 2.335 15.945 ( -0.700 -4.207 0.011) 4.265 15.973 ( 1.361 -4.578 0.162) 4.779 16.427 ( -0.680 -1.707 2.369) 2.998 16.630 ( 1.378 -1.313 -2.210) 2.916 17.774 ( -0.695 -11.454 0.813) 11.504 17.842 ( 0.065 -14.344 -0.866) 14.370 18.410 ( -0.012 4.501 0.399) 4.519 18.436 ( -0.817 5.728 -0.360) 5.797 18.781 ( -0.867 1.192 0.663) 1.616 18.897 ( 0.126 0.298 -1.548) 1.581 19.019 ( -0.287 6.495 2.667) 7.028 19.189 ( 1.439 4.476 -1.334) 4.887 21.726 ( -0.143 0.032 0.545) 0.564 21.768 ( 0.519 0.050 -0.290) 0.597 23.963 ( -1.911 -7.099 4.825) 8.793 24.505 ( -0.537 -17.985 -9.905) 20.539 26.710 ( -0.428 -0.303 9.407) 9.421 27.151 ( -2.729 -7.480 -2.365) 8.306 27.627 ( -0.155 7.402 -1.637) 7.582 27.791 ( 5.963 8.206 -1.829) 10.307 31.490 ( 0.029 -2.293 0.711) 2.401 31.534 ( -0.742 0.880 -0.968) 1.504 33.617 ( -1.834 2.626 6.062) 6.856 34.224 ( -1.226 -9.360 -10.620) 14.209 ======================= Grid point 118 (55/115) ======================= q-point: (-0.11 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.495 ( -4.754 -4.114 5.116) 8.106 1.758 ( 3.139 10.231 2.461) 10.981 1.976 ( -2.974 3.594 0.259) 4.672 2.080 ( 7.196 2.898 6.264) 9.971 2.239 ( 2.331 6.670 -3.062) 7.700 2.351 ( -2.388 2.824 3.408) 5.029 2.641 ( 0.583 -5.078 -3.558) 6.228 2.799 ( 2.348 5.005 -4.098) 6.882 2.860 ( -1.881 7.363 3.187) 8.240 2.909 ( 0.241 -3.526 0.650) 3.594 3.020 ( 3.761 -6.750 -3.221) 8.371 3.365 ( 4.652 1.086 1.300) 4.951 3.386 ( -2.485 1.614 -3.903) 4.900 3.555 ( -1.175 6.363 -0.087) 6.471 3.611 ( -4.232 3.225 5.802) 7.872 3.784 ( 0.257 1.429 -2.453) 2.850 3.914 ( -0.466 0.857 4.534) 4.637 3.942 ( -3.985 -3.029 0.996) 5.104 4.220 ( -3.639 -2.552 2.880) 5.297 4.314 ( -1.236 2.011 1.935) 3.052 4.489 ( -1.407 5.638 0.151) 5.812 4.590 ( 1.456 -1.536 -1.885) 2.834 4.673 ( 0.591 -1.451 4.069) 4.360 4.758 ( 1.562 -3.023 -4.951) 6.007 5.020 ( 0.836 -3.055 0.426) 3.196 5.099 ( 4.783 4.161 -7.960) 10.177 5.196 ( -1.282 3.098 1.810) 3.810 5.355 ( -2.452 0.351 -0.261) 2.491 5.431 ( 1.431 1.931 -0.134) 2.407 5.542 ( 0.300 -0.924 -0.954) 1.362 5.799 ( -4.403 -1.792 3.525) 5.918 6.020 ( -1.714 -7.321 1.084) 7.597 6.224 ( 2.897 -4.172 -0.391) 5.094 6.360 ( 7.549 0.683 1.422) 7.712 7.605 ( -0.378 11.229 2.376) 11.484 7.882 ( 2.355 8.429 -3.200) 9.318 8.941 ( -0.764 79.069 2.772) 79.121 9.065 ( 0.503 11.355 0.898) 11.402 9.068 ( 0.989 4.521 -0.088) 4.629 9.249 ( -2.705 80.561 -7.736) 80.977 9.418 ( -0.428 2.313 1.501) 2.790 9.501 ( -0.963 5.768 -0.884) 5.915 10.480 ( -0.537 -89.052 -0.267) 89.054 10.544 ( 2.408 -92.311 0.400) 92.344 12.708 ( -1.932 -3.063 2.930) 4.658 12.812 ( -1.276 -1.589 3.144) 3.747 13.009 ( 2.442 -6.214 -1.307) 6.803 13.050 ( 0.489 -5.064 -1.670) 5.355 15.976 ( -1.500 -1.091 0.226) 1.868 16.031 ( 0.697 -1.006 0.101) 1.228 16.439 ( -0.912 0.725 1.709) 2.068 16.630 ( 1.415 1.638 -2.049) 2.980 17.769 ( -1.194 11.533 1.801) 11.733 17.890 ( -1.816 7.257 -2.108) 7.772 18.359 ( 1.094 2.791 0.140) 3.001 18.363 ( 0.836 2.121 -0.341) 2.305 18.780 ( -0.557 -1.126 1.846) 2.233 18.894 ( -0.290 -2.379 -1.579) 2.870 19.037 ( -0.162 -6.129 1.888) 6.415 19.194 ( 1.612 -4.284 -1.697) 4.882 21.731 ( -0.230 -0.496 0.407) 0.681 21.778 ( 0.474 -0.860 -0.518) 1.110 23.983 ( -2.600 5.589 5.910) 8.540 24.557 ( -4.405 -0.079 -13.661) 14.354 26.763 ( -2.437 -0.670 10.561) 10.859 27.198 ( -5.677 -5.820 -3.049) 8.683 27.537 ( 3.546 4.642 -1.923) 6.149 27.790 ( 9.515 1.181 -0.525) 9.602 31.458 ( 0.229 7.809 -0.477) 7.827 31.465 ( 1.005 6.320 0.318) 6.407 33.627 ( -2.247 -1.532 7.213) 7.709 34.240 ( -4.547 -5.181 -13.677) 15.316 ======================= Grid point 123 (56/115) ======================= q-point: ( 0.44 0.44 -0.80) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 115 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.511 ( 9.624 0.000 5.603) 11.136 1.634 ( -2.301 -0.000 6.553) 6.945 1.710 ( -6.239 -0.000 5.765) 8.494 1.821 ( 1.862 0.000 0.451) 1.916 1.977 ( -4.162 -0.000 0.545) 4.197 2.177 ( 2.609 0.000 0.312) 2.628 2.343 ( 5.347 0.000 -2.261) 5.805 2.417 ( 6.766 0.000 -7.526) 10.120 2.900 ( 7.389 0.000 -9.805) 12.278 2.954 ( -3.279 -0.000 -3.815) 5.031 3.252 ( -15.245 -0.000 4.643) 15.936 3.284 ( -1.719 -0.000 4.128) 4.472 3.344 ( -0.116 -0.000 -6.855) 6.856 3.352 ( 4.995 0.000 -5.029) 7.088 3.487 ( -0.348 -0.000 -0.339) 0.486 3.674 ( -5.564 -0.000 9.289) 10.828 3.684 ( -8.272 -0.000 -10.746) 13.561 3.831 ( 3.570 0.000 -0.185) 3.575 4.074 ( 4.539 0.000 0.655) 4.586 4.284 ( -3.103 -0.000 5.276) 6.121 4.320 ( -3.825 -0.000 8.921) 9.706 4.368 ( 8.987 0.000 -4.203) 9.921 4.443 ( 3.611 0.000 0.369) 3.630 4.771 ( -7.561 -0.000 4.039) 8.572 4.870 ( 6.065 0.000 2.403) 6.524 4.989 ( 16.183 0.000 -1.049) 16.217 5.012 ( 5.265 0.000 -4.828) 7.144 5.202 ( 0.060 0.000 3.783) 3.783 5.252 ( -1.340 -0.000 -0.569) 1.455 5.458 ( 5.591 0.000 1.429) 5.771 5.749 ( -3.838 -0.000 -3.893) 5.466 5.841 ( -10.261 -0.000 -2.643) 10.596 5.865 ( 2.240 0.000 -3.272) 3.966 5.869 ( -10.345 -0.000 -2.877) 10.737 6.369 ( 11.733 0.000 2.348) 11.966 6.455 ( -10.241 -0.000 12.828) 16.415 8.214 ( -0.921 -0.000 1.183) 1.499 8.665 ( -1.758 -0.000 0.155) 1.765 8.718 ( -1.349 -0.000 0.561) 1.461 8.811 ( 3.018 0.000 -6.083) 6.790 9.215 ( -0.983 -0.000 0.296) 1.027 9.307 ( 0.561 0.000 -2.315) 2.382 12.874 ( -2.746 -0.000 2.368) 3.627 12.903 ( -0.745 -0.000 -1.233) 1.440 13.008 ( 0.181 0.000 -0.479) 0.512 13.239 ( -0.947 -0.000 -1.433) 1.718 14.419 ( 0.299 0.000 2.861) 2.877 14.731 ( 0.818 0.000 -1.843) 2.017 15.665 ( -0.320 0.000 -0.058) 0.325 15.665 ( -0.316 0.000 0.103) 0.333 16.182 ( 0.099 0.000 -1.072) 1.077 16.193 ( -0.199 -0.000 -2.521) 2.529 16.306 ( -0.638 -0.000 3.650) 3.705 16.465 ( 0.240 0.000 -0.422) 0.486 18.575 ( 0.745 0.000 2.282) 2.400 18.635 ( 2.115 0.000 0.829) 2.272 18.917 ( -1.233 -0.000 -0.335) 1.278 18.987 ( -0.279 -0.000 -1.560) 1.585 19.657 ( 0.131 0.000 -0.074) 0.151 19.671 ( -0.075 -0.000 -0.105) 0.129 21.751 ( -0.110 -0.000 0.511) 0.522 21.793 ( 0.242 0.000 -0.064) 0.251 23.071 ( 0.201 0.000 1.428) 1.442 23.257 ( 1.089 0.000 -1.554) 1.898 26.706 ( 1.320 0.000 1.420) 1.939 26.826 ( -3.402 -0.000 4.617) 5.735 28.054 ( -2.553 -0.000 0.309) 2.571 28.137 ( 3.084 0.000 -6.404) 7.108 31.016 ( 1.393 0.000 1.609) 2.128 31.270 ( 2.163 0.000 -1.963) 2.921 33.851 ( 0.376 0.000 1.208) 1.266 33.996 ( 1.504 0.000 -1.432) 2.076 ======================= Grid point 124 (57/115) ======================= q-point: (-0.44 -0.56 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.500 ( 0.699 9.983 11.143) 14.978 1.744 ( -0.917 -9.751 1.107) 9.856 1.773 ( -0.186 -5.300 6.457) 8.355 1.933 ( 1.469 -10.919 0.825) 11.048 2.022 ( -2.589 -6.968 2.960) 8.001 2.228 ( -1.282 -7.579 -1.936) 7.927 2.448 ( 4.455 1.118 -5.142) 6.894 2.619 ( 0.361 -15.023 -6.038) 16.195 2.891 ( 0.719 3.148 -1.903) 3.748 2.954 ( -0.562 -11.582 -11.589) 16.394 3.155 ( -5.760 -4.442 3.161) 7.931 3.270 ( 3.358 0.003 -0.518) 3.397 3.383 ( 0.593 -2.836 0.196) 2.903 3.433 ( -1.217 -6.199 1.879) 6.591 3.503 ( 3.233 -1.062 -1.773) 3.837 3.650 ( -4.004 -13.282 -7.708) 15.870 3.715 ( -1.860 -4.264 4.561) 6.515 3.889 ( 4.567 -5.718 -5.859) 9.374 4.076 ( 0.746 1.722 -1.155) 2.204 4.269 ( -4.728 -4.309 -3.896) 7.490 4.411 ( 2.472 -2.587 1.311) 3.810 4.441 ( -0.614 -4.340 7.603) 8.776 4.525 ( -2.532 -4.169 5.608) 7.433 4.730 ( -3.326 -0.969 4.099) 5.367 4.944 ( 1.796 -3.593 6.753) 7.857 5.041 ( 2.642 0.776 0.073) 2.755 5.179 ( 13.050 -1.909 1.306) 13.253 5.218 ( -2.027 0.587 5.805) 6.177 5.340 ( 1.971 -15.087 -3.506) 15.614 5.468 ( -4.348 1.209 -1.367) 4.715 5.656 ( -7.686 -6.587 -7.724) 12.733 5.749 ( -2.778 -2.296 -3.742) 5.195 5.816 ( -0.427 -1.725 -3.965) 4.345 5.892 ( -0.412 -8.376 -4.953) 9.740 6.394 ( -9.348 2.152 9.816) 13.725 6.552 ( 16.854 4.033 10.453) 20.238 8.172 ( -2.697 3.418 1.103) 4.491 8.659 ( -2.740 -1.382 -5.003) 5.869 8.754 ( -0.270 -5.111 0.425) 5.136 8.774 ( 2.297 2.106 -2.718) 4.136 9.230 ( -0.864 -3.179 -0.087) 3.295 9.320 ( 0.943 -2.188 -2.025) 3.126 12.827 ( -2.431 3.348 1.282) 4.332 12.895 ( 1.912 1.366 -0.307) 2.370 13.008 ( 1.864 1.952 0.782) 2.810 13.172 ( -1.239 5.386 -2.955) 6.267 14.007 ( -0.020 49.731 3.837) 49.879 14.290 ( 0.016 49.384 -2.580) 49.451 15.692 ( 0.457 -3.765 0.009) 3.793 15.696 ( -0.402 -3.902 -0.053) 3.923 16.278 ( -0.246 -3.926 0.886) 4.033 16.426 ( 1.058 -16.164 -3.206) 16.513 16.529 ( -0.066 -28.150 0.829) 28.162 16.534 ( -0.565 -19.162 1.394) 19.221 18.576 ( -0.505 1.754 2.333) 2.962 18.645 ( 1.238 2.091 1.605) 2.912 18.889 ( -1.050 1.558 -0.847) 2.061 18.966 ( 0.429 1.417 -1.757) 2.298 19.588 ( 0.043 8.801 0.174) 8.803 19.605 ( -0.019 7.790 -0.206) 7.792 21.757 ( 0.004 -0.129 0.550) 0.565 21.784 ( 0.266 1.192 0.035) 1.222 23.196 ( -0.526 -14.267 2.135) 14.435 23.400 ( 0.546 -18.054 -2.329) 18.212 26.719 ( 1.691 2.568 4.933) 5.813 26.860 ( -2.085 -5.285 2.323) 6.138 27.979 ( -4.039 3.951 -2.217) 6.069 28.113 ( 4.362 4.081 -5.049) 7.821 31.090 ( 0.125 -6.849 2.168) 7.185 31.307 ( -0.155 -5.003 -2.557) 5.621 33.833 ( -0.561 3.227 1.731) 3.705 34.008 ( 0.567 -1.447 -2.110) 2.620 ======================= Grid point 125 (58/115) ======================= q-point: (-0.33 -0.56 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.456 ( 2.295 6.300 11.546) 13.352 1.827 ( -5.839 -7.529 6.071) 11.298 1.947 ( 4.218 -7.198 -0.686) 8.371 2.067 ( -2.562 -5.148 -2.385) 6.225 2.165 ( -0.833 -11.627 0.381) 11.663 2.342 ( 1.647 -8.725 -2.169) 9.140 2.427 ( -4.269 -0.099 0.519) 4.302 2.552 ( -6.453 0.836 -8.327) 10.568 2.831 ( 5.675 7.214 -1.127) 9.247 3.085 ( 2.567 -5.860 -3.564) 7.323 3.213 ( -2.206 5.339 -2.697) 6.375 3.292 ( 0.274 -9.069 4.587) 10.167 3.425 ( 0.440 -1.676 -0.236) 1.749 3.471 ( 1.804 -0.332 -2.562) 3.151 3.674 ( 2.654 -12.298 0.961) 12.618 3.729 ( -4.098 -0.911 1.391) 4.423 3.824 ( 2.374 -4.755 -2.171) 5.741 3.976 ( -2.017 -0.737 2.123) 3.020 4.126 ( 2.632 -9.020 -10.589) 14.157 4.266 ( -5.485 -5.197 -4.015) 8.557 4.414 ( 4.586 -3.197 -6.119) 8.288 4.454 ( -3.443 5.429 -2.297) 6.827 4.695 ( -1.342 -11.071 11.665) 16.138 4.732 ( -2.611 0.174 2.294) 3.480 4.995 ( -3.536 3.826 4.193) 6.687 5.118 ( 0.048 -9.371 4.199) 10.269 5.201 ( -3.490 1.708 7.012) 8.017 5.320 ( 3.476 -2.555 7.371) 8.540 5.355 ( -4.546 -0.509 -0.020) 4.575 5.582 ( 5.528 -1.634 -1.098) 5.868 5.682 ( -3.035 -1.902 -6.049) 7.030 5.840 ( 6.108 -2.013 -4.083) 7.617 6.125 ( -3.945 -41.805 -2.773) 42.082 6.249 ( -0.182 -56.461 -5.373) 56.716 6.357 ( -2.284 -12.732 5.515) 14.062 6.671 ( 14.641 10.469 9.603) 20.400 8.075 ( -4.190 4.959 2.087) 6.820 8.517 ( -4.417 7.372 -8.920) 12.386 8.839 ( 1.571 -6.415 1.068) 6.690 8.860 ( 0.848 -7.573 -0.146) 7.622 9.289 ( -0.721 -5.326 -0.092) 5.376 9.366 ( 0.929 -3.668 -1.471) 4.060 12.745 ( -1.439 5.221 0.484) 5.437 12.892 ( 3.911 9.146 -0.790) 9.978 12.960 ( -0.147 22.644 -1.735) 22.711 12.969 ( 1.579 20.820 -0.898) 20.899 13.166 ( -1.404 38.918 4.271) 39.176 13.362 ( 0.242 62.623 -1.719) 62.647 15.772 ( 0.158 -5.916 -0.280) 5.925 15.786 ( 1.850 -6.336 0.179) 6.603 16.337 ( -0.370 -3.449 2.265) 4.143 16.522 ( 0.778 -4.802 -2.500) 5.469 17.002 ( -0.838 -32.805 0.391) 32.818 17.039 ( 0.721 -33.772 0.044) 33.779 18.537 ( -1.487 3.296 1.729) 4.008 18.609 ( -0.065 4.696 1.363) 4.890 18.842 ( -1.104 2.236 -0.765) 2.608 18.937 ( 0.933 1.975 -1.530) 2.667 19.410 ( -0.221 13.805 0.761) 13.827 19.459 ( 0.515 10.409 -0.320) 10.426 21.749 ( -0.257 1.204 0.402) 1.295 21.778 ( 0.663 0.344 0.089) 0.752 23.478 ( -1.234 -20.173 3.022) 20.435 23.751 ( 1.058 -26.893 -3.484) 27.138 26.730 ( 0.105 1.287 6.019) 6.157 26.948 ( 0.372 -5.548 1.164) 5.681 27.839 ( -4.333 5.708 -3.316) 7.896 28.049 ( 4.918 7.398 -3.684) 9.617 31.237 ( -0.935 -10.571 2.192) 10.837 31.383 ( -1.907 -7.805 -2.496) 8.413 33.768 ( -1.422 5.301 2.888) 6.202 34.031 ( 0.153 -3.287 -3.658) 4.920 ======================= Grid point 126 (59/115) ======================= q-point: (-0.22 -0.56 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.471 ( 1.800 3.436 9.382) 10.152 1.890 ( -4.564 -2.416 0.750) 5.218 2.025 ( 1.132 -2.306 -0.399) 2.600 2.086 ( -1.877 -2.313 -1.113) 3.180 2.285 ( -5.480 -8.522 -0.814) 10.165 2.351 ( -5.404 -1.070 -1.378) 5.679 2.466 ( 2.685 -3.055 1.133) 4.222 2.589 ( 3.650 -9.180 0.116) 9.879 2.827 ( 9.329 2.334 -2.921) 10.050 3.072 ( -3.979 5.168 -2.558) 7.006 3.106 ( -0.138 3.158 -0.818) 3.265 3.387 ( -5.631 2.224 1.051) 6.145 3.464 ( 6.311 -2.730 -3.724) 7.820 3.523 ( -2.140 -7.547 5.929) 9.833 3.671 ( -0.917 2.383 -1.464) 2.943 3.777 ( -5.353 -1.668 0.343) 5.617 3.854 ( -0.274 -0.191 -0.063) 0.340 4.013 ( -2.224 2.314 0.997) 3.361 4.124 ( -4.094 -10.895 -3.948) 12.290 4.296 ( -0.854 5.056 -1.023) 5.228 4.365 ( 1.768 -7.391 -6.076) 9.731 4.516 ( 5.641 -3.394 -5.287) 8.443 4.694 ( -4.946 0.042 1.253) 5.103 4.807 ( 2.551 0.755 5.533) 6.139 4.939 ( -2.450 0.434 2.666) 3.647 5.189 ( 0.815 2.201 3.133) 3.915 5.226 ( -0.754 -4.026 1.688) 4.430 5.331 ( -1.657 0.683 2.218) 2.851 5.445 ( 2.725 -2.533 6.598) 7.574 5.589 ( -0.873 3.222 -4.206) 5.369 5.665 ( 0.535 -2.982 1.096) 3.222 5.918 ( 5.774 -1.146 -5.088) 7.781 6.188 ( -3.324 0.553 0.396) 3.393 6.625 ( 6.139 12.549 5.191) 14.903 7.266 ( -2.036 -74.139 1.379) 74.180 7.474 ( 5.777 -80.926 -1.846) 81.153 8.013 ( -3.914 -8.450 4.042) 10.152 8.317 ( -5.046 0.708 -7.305) 8.906 8.969 ( 1.512 -6.798 0.866) 7.018 8.985 ( 1.308 -6.821 -0.403) 6.957 9.364 ( -0.731 -5.072 0.213) 5.129 9.426 ( 0.547 -3.590 -0.937) 3.751 11.847 ( -0.233 84.189 2.690) 84.233 12.035 ( -2.180 81.629 -5.720) 81.858 12.692 ( -1.733 2.702 1.472) 3.532 12.911 ( -1.559 5.723 0.135) 5.933 12.952 ( 5.123 3.603 -0.512) 6.284 13.041 ( 3.387 4.582 1.084) 5.800 15.864 ( 0.346 -5.562 -0.258) 5.578 15.912 ( 2.616 -6.136 0.214) 6.674 16.398 ( -0.482 -3.018 2.449) 3.916 16.587 ( 0.999 -4.049 -2.548) 4.888 17.460 ( -0.952 -26.850 0.349) 26.869 17.521 ( 0.979 -26.560 -0.223) 26.579 18.471 ( -1.612 3.771 1.015) 4.225 18.516 ( -1.534 6.412 0.212) 6.596 18.796 ( -1.027 1.710 0.150) 2.000 18.911 ( 0.976 1.743 -1.186) 2.323 19.195 ( -0.353 13.704 1.604) 13.802 19.311 ( 1.188 9.305 -0.838) 9.418 21.733 ( -0.152 0.705 0.484) 0.868 21.779 ( 0.757 0.544 -0.162) 0.946 23.777 ( -1.738 -17.015 4.021) 17.570 24.148 ( 2.041 -23.837 -4.993) 24.440 26.749 ( -1.649 -0.500 5.612) 5.870 27.039 ( 1.505 -3.912 0.900) 4.287 27.695 ( -2.982 4.964 -3.005) 6.524 27.959 ( 4.791 8.159 -3.011) 9.930 31.396 ( -1.251 -9.385 1.667) 9.613 31.463 ( -2.272 -6.611 -1.855) 7.232 33.687 ( -2.197 4.860 4.430) 6.933 34.070 ( 0.639 -4.447 -5.570) 7.156 ======================= Grid point 127 (60/115) ======================= q-point: (-0.11 -0.56 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.473 ( -1.826 2.055 5.580) 6.220 1.832 ( -0.574 2.519 -3.940) 4.712 2.059 ( -1.392 2.111 5.382) 5.947 2.093 ( -2.750 -2.807 1.115) 4.085 2.307 ( -6.916 -5.551 3.513) 9.539 2.383 ( 9.500 1.467 -1.761) 9.772 2.548 ( 0.764 -4.318 0.391) 4.402 2.762 ( 1.543 -7.182 0.717) 7.381 2.918 ( 9.127 -3.285 -4.068) 10.518 2.960 ( -3.134 4.703 1.192) 5.776 3.001 ( -0.713 6.176 -3.153) 6.971 3.264 ( -10.903 -0.630 1.055) 10.972 3.513 ( 9.290 4.259 -4.304) 11.089 3.594 ( -6.337 -0.150 2.431) 6.789 3.650 ( 1.506 2.677 3.205) 4.440 3.765 ( -3.236 -6.250 1.748) 7.251 3.801 ( -3.544 1.461 -2.968) 4.848 3.976 ( -0.153 -0.549 0.118) 0.582 4.153 ( -6.009 -0.784 -1.932) 6.360 4.291 ( 1.581 -4.491 2.184) 5.239 4.485 ( -0.048 -3.878 -2.413) 4.568 4.574 ( 3.456 -1.507 -1.426) 4.031 4.639 ( -2.162 -0.122 -0.901) 2.345 4.830 ( 3.488 4.092 4.691) 7.135 4.976 ( -0.430 -3.779 1.935) 4.267 5.164 ( 2.893 3.365 -4.857) 6.579 5.250 ( 0.239 1.926 1.408) 2.398 5.325 ( -1.811 -0.925 0.206) 2.044 5.476 ( -0.990 4.540 -3.119) 5.597 5.549 ( 1.746 -1.912 5.011) 5.640 5.743 ( -0.518 -3.034 3.862) 4.939 5.923 ( -0.301 -1.957 -4.796) 5.189 6.199 ( 2.511 -2.342 -0.499) 3.469 6.507 ( 2.524 9.452 1.162) 9.852 7.692 ( -3.457 0.291 2.720) 4.408 7.961 ( -1.202 2.400 -3.575) 4.471 8.927 ( -0.707 -80.661 0.485) 80.666 9.035 ( 2.473 -41.335 1.509) 41.436 9.073 ( 1.369 -3.980 0.022) 4.208 9.131 ( 2.866 -58.405 -0.579) 58.479 9.418 ( -0.721 -2.456 0.545) 2.617 9.470 ( 0.128 -2.554 -0.678) 2.646 10.507 ( -0.601 89.163 2.943) 89.213 10.633 ( -3.017 91.087 -5.295) 91.291 12.673 ( -1.141 -0.668 1.796) 2.230 12.816 ( -1.935 2.642 1.114) 3.459 12.983 ( 3.620 -0.248 -1.327) 3.864 13.029 ( 1.956 1.339 -0.284) 2.387 15.934 ( -0.032 -3.107 0.152) 3.111 16.011 ( 1.625 -3.143 -0.045) 3.538 16.437 ( -0.766 -1.117 1.858) 2.299 16.630 ( 1.162 -1.788 -2.571) 3.340 17.763 ( -1.101 -11.694 0.458) 11.755 17.831 ( 0.299 -11.847 -0.718) 11.872 18.406 ( -0.949 3.690 0.203) 3.816 18.414 ( -0.693 3.500 0.211) 3.574 18.775 ( -0.682 0.169 1.270) 1.452 18.887 ( 0.490 1.788 -0.944) 2.080 19.040 ( -0.408 5.845 1.784) 6.125 19.206 ( 1.403 4.553 -1.571) 5.017 21.729 ( -0.128 0.135 0.396) 0.438 21.777 ( 0.578 0.320 -0.407) 0.776 23.973 ( -2.571 -7.201 5.060) 9.168 24.411 ( 2.507 -10.070 -6.281) 12.130 26.770 ( -3.657 -1.745 4.912) 6.367 27.100 ( 0.897 -1.232 1.207) 1.944 27.603 ( 0.045 2.600 -2.382) 3.526 27.889 ( 4.129 4.045 -3.362) 6.687 31.494 ( -0.593 -3.207 0.679) 3.332 31.502 ( -0.994 -1.595 -0.774) 2.033 33.636 ( -3.186 1.594 5.757) 6.770 34.105 ( 1.809 -2.500 -6.768) 7.439 ======================= Grid point 133 (61/115) ======================= q-point: (-0.44 -0.44 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 115 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.621 ( -7.127 -0.000 6.086) 9.372 1.675 ( -0.809 -0.000 6.435) 6.486 1.812 ( 8.110 0.000 11.444) 14.027 1.834 ( -3.532 -0.000 0.972) 3.664 1.937 ( -1.720 -0.000 1.317) 2.166 2.141 ( 0.314 0.000 -2.269) 2.290 2.425 ( 1.183 0.000 -4.008) 4.179 2.470 ( 0.338 0.000 -3.034) 3.053 2.711 ( -8.581 -0.000 -10.810) 13.802 2.914 ( 2.990 0.000 -10.201) 10.631 3.070 ( -1.922 -0.000 0.022) 1.922 3.325 ( 5.217 0.000 4.898) 7.156 3.328 ( -9.959 -0.000 -6.491) 11.888 3.407 ( 3.033 0.000 -1.357) 3.322 3.468 ( 6.022 0.000 -0.606) 6.053 3.524 ( 7.199 0.000 -2.948) 7.780 3.698 ( -0.237 -0.000 3.886) 3.893 3.893 ( 4.528 0.000 -1.846) 4.890 4.050 ( -7.449 -0.000 -6.035) 9.587 4.201 ( -3.583 -0.000 -1.557) 3.907 4.341 ( -4.140 -0.000 13.990) 14.590 4.452 ( -3.319 -0.000 -0.855) 3.427 4.542 ( 2.687 0.000 5.088) 5.754 4.706 ( -3.149 -0.000 3.439) 4.663 4.956 ( 0.708 0.000 3.217) 3.294 5.081 ( 4.083 0.000 -4.200) 5.858 5.140 ( -2.617 -0.000 -0.223) 2.627 5.217 ( -10.316 -0.000 3.653) 10.944 5.347 ( 2.517 0.000 7.161) 7.590 5.357 ( -4.325 -0.000 0.165) 4.328 5.578 ( 2.283 0.000 -7.259) 7.610 5.692 ( 1.548 0.000 -7.474) 7.632 5.767 ( 1.022 0.000 -2.589) 2.783 5.860 ( 5.525 0.000 -4.058) 6.855 6.361 ( -8.513 -0.000 7.526) 11.363 6.858 ( 19.292 0.000 12.399) 22.933 8.160 ( -5.034 -0.000 1.031) 5.139 8.591 ( -2.868 -0.000 -5.756) 6.431 8.719 ( 0.843 0.000 0.230) 0.874 8.782 ( 0.232 0.000 -3.408) 3.416 9.193 ( -1.030 -0.000 -0.448) 1.123 9.303 ( 1.408 0.000 -2.178) 2.594 12.832 ( -2.240 -0.000 0.358) 2.269 12.939 ( 4.234 0.000 0.439) 4.257 13.066 ( 3.918 0.000 2.247) 4.516 13.178 ( -1.530 -0.000 -3.957) 4.243 14.463 ( -0.287 -0.000 4.430) 4.439 14.703 ( -0.787 -0.000 -3.142) 3.239 15.660 ( -0.138 -0.000 -0.028) 0.141 15.671 ( 0.848 0.000 0.082) 0.852 16.171 ( 0.676 0.000 -1.956) 2.070 16.180 ( 0.808 0.000 -1.120) 1.381 16.337 ( -0.274 -0.000 3.485) 3.496 16.458 ( -0.198 -0.000 -0.778) 0.803 18.591 ( -1.929 -0.000 2.428) 3.101 18.685 ( 0.717 0.000 2.780) 2.871 18.884 ( -0.795 -0.000 -1.738) 1.911 18.975 ( 1.043 0.000 -1.829) 2.105 19.660 ( 0.148 0.000 0.076) 0.167 19.665 ( -0.235 -0.000 -0.310) 0.389 21.762 ( 0.406 0.000 0.814) 0.909 21.797 ( 0.203 0.000 -0.054) 0.210 23.087 ( -0.652 -0.000 2.122) 2.220 23.239 ( -0.680 -0.000 -2.294) 2.393 26.771 ( -4.844 -0.000 1.583) 5.096 26.838 ( 6.280 0.000 6.583) 9.098 27.934 ( -6.091 -0.000 -4.264) 7.435 28.175 ( 5.841 0.000 -4.037) 7.101 31.045 ( -1.217 -0.000 2.852) 3.101 31.236 ( -2.334 -0.000 -3.303) 4.045 33.858 ( -1.211 -0.000 1.526) 1.948 33.986 ( -0.628 -0.000 -1.801) 1.907 ======================= Grid point 134 (62/115) ======================= q-point: (-0.33 -0.44 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.653 ( -1.206 -0.256 4.474) 4.641 1.689 ( -1.087 -3.044 11.275) 11.729 1.882 ( -0.914 -8.070 2.931) 8.634 1.932 ( -3.084 -5.328 1.597) 6.360 1.968 ( -5.213 -4.859 -0.512) 7.145 2.246 ( 4.129 -9.189 2.743) 10.441 2.317 ( -6.265 1.716 -10.686) 12.505 2.482 ( -1.991 -2.059 -2.847) 4.039 2.812 ( -1.126 -17.083 -8.853) 19.274 2.962 ( 1.951 -12.800 -9.540) 16.083 3.125 ( -3.421 -6.074 2.512) 7.410 3.215 ( -0.692 0.827 -1.774) 2.076 3.409 ( 2.099 -1.035 3.263) 4.016 3.443 ( 0.510 -1.769 -2.574) 3.165 3.557 ( 2.522 -6.263 -2.217) 7.106 3.665 ( 6.526 -4.985 -1.859) 8.420 3.739 ( -0.292 -3.910 0.680) 3.980 3.899 ( -9.329 -1.124 -6.946) 11.685 4.005 ( 9.189 -7.689 0.577) 11.995 4.139 ( -7.862 -0.784 1.849) 8.114 4.370 ( -4.113 0.051 -2.965) 5.071 4.485 ( -1.766 -4.252 9.347) 10.420 4.568 ( -0.780 -2.907 7.317) 7.911 4.705 ( -3.400 -2.202 1.791) 4.429 4.959 ( -4.069 -0.167 -4.875) 6.353 5.079 ( -1.900 -1.554 11.061) 11.330 5.188 ( -2.618 -3.632 2.719) 5.238 5.235 ( -2.313 -11.979 -1.302) 12.270 5.362 ( 1.461 -1.799 5.323) 5.806 5.466 ( 2.064 -12.426 6.992) 14.407 5.582 ( 1.088 -5.613 -8.665) 10.382 5.640 ( -2.649 -0.459 -8.224) 8.652 5.796 ( 0.906 -3.767 -2.036) 4.377 5.961 ( 14.270 -1.259 -4.446) 14.999 6.311 ( -5.192 0.633 4.115) 6.655 7.056 ( 16.757 8.806 9.895) 21.360 8.086 ( -6.943 2.354 2.426) 7.723 8.483 ( -6.817 2.987 -8.668) 11.425 8.768 ( 1.729 -4.348 -0.335) 4.691 8.796 ( 1.725 -3.126 -0.315) 3.584 9.206 ( -1.186 -3.568 -0.441) 3.786 9.324 ( 1.454 -2.118 -2.011) 3.263 12.788 ( -1.632 2.760 0.082) 3.207 12.987 ( 5.651 1.183 0.287) 5.780 13.089 ( 1.640 5.343 -1.101) 5.697 13.114 ( 2.408 3.537 -0.349) 4.293 14.049 ( -0.780 49.858 4.620) 50.078 14.236 ( -1.530 49.066 -3.621) 49.223 15.700 ( 1.145 -4.061 -0.298) 4.230 15.726 ( 2.442 -4.628 0.282) 5.240 16.288 ( 0.110 -5.337 1.190) 5.469 16.409 ( 0.750 -14.424 -3.215) 14.797 16.533 ( -0.882 -19.434 1.270) 19.495 16.543 ( 0.552 -27.923 0.867) 27.942 18.562 ( -3.148 1.730 1.823) 4.028 18.683 ( -0.101 3.310 2.866) 4.380 18.852 ( -0.869 1.425 -1.919) 2.543 18.969 ( 1.607 1.351 -1.494) 2.577 19.591 ( 0.026 8.848 0.256) 8.852 19.600 ( -0.166 7.220 -0.318) 7.229 21.766 ( 0.241 0.925 0.438) 1.051 21.793 ( 0.585 0.454 0.155) 0.756 23.205 ( -1.204 -14.148 2.532) 14.424 23.374 ( -0.021 -19.415 -2.519) 19.577 26.728 ( -4.640 -0.635 0.934) 4.776 26.966 ( 7.385 -1.024 6.859) 10.131 27.814 ( -7.058 2.320 -4.951) 8.928 28.184 ( 6.188 4.821 -3.176) 8.463 31.096 ( -2.403 -6.781 2.956) 7.778 31.227 ( -3.873 -5.627 -3.304) 7.588 33.827 ( -1.990 2.915 1.907) 4.011 33.978 ( -0.747 -1.663 -2.113) 2.790 ======================= Grid point 135 (63/115) ======================= q-point: (-0.22 -0.44 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.652 ( 4.077 7.037 7.518) 11.075 1.815 ( -3.258 -4.535 6.706) 8.726 1.875 ( -14.510 -6.662 -3.913) 16.438 1.969 ( -2.586 -6.641 1.286) 7.242 2.090 ( -0.191 -9.768 0.464) 9.780 2.260 ( 3.473 -5.020 -7.886) 9.972 2.458 ( 6.096 -6.464 0.036) 8.885 2.507 ( -1.009 -5.009 1.247) 5.260 2.923 ( 2.022 -3.525 -1.820) 4.453 3.014 ( -11.795 -1.628 -3.716) 12.473 3.111 ( 2.240 -0.655 -2.600) 3.494 3.325 ( -8.273 -2.693 0.500) 8.715 3.388 ( 0.351 -2.544 3.365) 4.233 3.503 ( 4.242 -5.652 -4.517) 8.387 3.673 ( -4.403 -2.063 0.012) 4.863 3.681 ( 3.340 -4.218 -4.271) 6.869 3.802 ( -2.460 -10.102 -1.972) 10.582 3.882 ( -0.683 -1.452 -1.265) 2.043 3.996 ( -11.672 2.526 -2.748) 12.254 4.240 ( 6.275 -6.231 -3.598) 9.547 4.404 ( -0.992 4.601 3.549) 5.895 4.491 ( 6.842 -7.303 -1.983) 10.202 4.624 ( -5.570 -1.610 1.794) 6.070 4.808 ( -1.343 -4.145 5.104) 6.710 4.966 ( 1.111 -0.930 4.102) 4.350 5.159 ( -0.596 -4.654 4.767) 6.689 5.252 ( 1.203 1.072 2.741) 3.179 5.317 ( -2.468 -6.180 7.990) 10.398 5.424 ( -1.650 -1.977 3.611) 4.435 5.559 ( -1.520 0.255 -3.583) 3.901 5.713 ( 6.601 -3.519 0.018) 7.480 5.854 ( -1.420 -18.378 -6.840) 19.661 6.114 ( 4.760 -14.156 -1.777) 15.040 6.174 ( 0.134 -47.997 -3.577) 48.130 6.387 ( 0.808 -25.787 1.281) 25.831 7.074 ( 13.157 10.400 4.669) 17.409 7.982 ( -7.740 2.721 4.731) 9.471 8.275 ( -8.923 5.436 -7.210) 12.694 8.878 ( 2.073 -7.079 -0.329) 7.384 8.896 ( 1.816 -6.405 0.245) 6.662 9.266 ( -1.232 -5.890 -0.084) 6.018 9.371 ( 1.053 -3.463 -1.610) 3.962 12.725 ( -0.726 3.843 0.255) 3.919 12.912 ( -0.076 24.431 -2.727) 24.583 13.005 ( 2.292 32.944 -0.548) 33.028 13.012 ( 4.955 9.848 -0.046) 11.024 13.188 ( -0.731 43.887 4.409) 44.114 13.352 ( 0.829 46.683 -1.895) 46.729 15.790 ( 1.994 -5.292 -0.282) 5.662 15.850 ( 3.647 -6.283 0.174) 7.267 16.357 ( -0.235 -3.376 2.260) 4.069 16.506 ( 0.654 -5.341 -2.785) 6.059 16.984 ( -1.355 -32.514 0.421) 32.544 17.068 ( 2.024 -33.945 0.285) 34.007 18.498 ( -3.554 2.566 1.056) 4.509 18.603 ( -1.924 6.919 0.966) 7.246 18.810 ( -1.038 1.538 -0.416) 1.901 18.952 ( 1.751 2.242 -0.952) 2.999 19.414 ( -0.224 13.599 0.681) 13.617 19.465 ( 0.325 9.540 -0.504) 9.559 21.749 ( -0.005 1.233 0.325) 1.275 21.797 ( 1.045 0.583 0.001) 1.197 23.483 ( -1.609 -20.350 3.111) 20.649 23.764 ( 4.594 -28.036 -2.432) 28.513 26.702 ( -4.834 -2.107 0.417) 5.289 27.092 ( 7.660 0.329 6.246) 9.889 27.677 ( -6.389 2.067 -3.988) 7.810 28.117 ( 4.111 8.762 -3.469) 10.281 31.222 ( -2.889 -10.868 2.417) 11.502 31.285 ( -4.053 -9.465 -2.560) 10.610 33.755 ( -2.752 4.538 2.617) 5.917 34.013 ( 2.623 -3.597 -2.274) 4.999 ======================= Grid point 136 (64/115) ======================= q-point: (-0.11 -0.44 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.571 ( -1.942 8.195 5.011) 9.800 1.811 ( -7.267 -4.830 -4.193) 9.681 1.878 ( -5.782 -7.400 3.700) 10.094 2.113 ( 1.892 -4.298 6.045) 7.655 2.186 ( 1.867 -4.725 -3.355) 6.088 2.412 ( 7.450 -8.307 -3.171) 11.600 2.474 ( -6.628 -2.676 0.825) 7.195 2.682 ( 3.547 -7.248 2.558) 8.465 2.879 ( -6.072 -2.430 -2.515) 7.007 2.995 ( -3.432 -2.228 0.394) 4.111 3.075 ( 2.239 6.496 0.885) 6.927 3.202 ( -2.276 2.743 -3.746) 5.171 3.486 ( -3.208 -5.469 2.550) 6.834 3.593 ( -9.365 -2.450 -3.510) 10.297 3.622 ( 6.452 -0.703 -0.180) 6.493 3.765 ( 6.555 2.208 -0.031) 6.917 3.802 ( -4.006 0.854 -1.218) 4.274 3.909 ( -3.663 -3.518 0.253) 5.085 3.975 ( -4.076 -13.370 -2.174) 14.146 4.289 ( -1.413 2.437 2.490) 3.760 4.404 ( 2.874 -5.354 -1.730) 6.318 4.604 ( -0.920 -0.438 -0.009) 1.019 4.615 ( 3.531 -0.352 -1.753) 3.958 4.901 ( 1.296 -5.310 3.347) 6.410 4.960 ( 0.460 4.088 3.571) 5.447 5.193 ( -0.429 1.430 -4.132) 4.393 5.252 ( 0.899 -1.006 -1.949) 2.370 5.333 ( -0.866 2.583 4.138) 4.954 5.500 ( 0.042 -1.836 2.820) 3.365 5.546 ( -0.144 -1.377 3.331) 3.607 5.763 ( 2.412 1.200 3.232) 4.208 5.915 ( 1.952 2.394 -7.378) 7.998 6.199 ( 3.642 -1.161 -1.325) 4.046 6.642 ( -5.967 4.718 -1.032) 7.677 7.215 ( -3.879 -71.901 1.065) 72.014 7.647 ( 9.829 -55.959 -2.405) 56.867 7.976 ( -4.689 -17.140 5.142) 18.499 8.148 ( -3.706 -14.891 -1.722) 15.442 9.005 ( 1.093 -6.605 -0.671) 6.728 9.010 ( 1.044 -5.797 0.666) 5.928 9.346 ( -1.139 -5.625 0.302) 5.747 9.426 ( 0.603 -3.314 -1.083) 3.538 11.869 ( -0.702 84.347 2.631) 84.391 11.939 ( -1.463 83.572 -3.663) 83.665 12.685 ( -0.411 1.971 1.377) 2.439 12.861 ( -2.340 5.726 -0.102) 6.187 13.060 ( 4.866 5.010 -1.320) 7.108 13.126 ( 3.339 7.460 0.451) 8.185 15.888 ( 1.973 -4.284 0.157) 4.719 15.973 ( 2.660 -4.568 -0.212) 5.291 16.412 ( -0.591 -2.509 1.885) 3.193 16.576 ( 0.939 -4.465 -2.779) 5.343 17.436 ( -1.423 -27.018 0.037) 27.056 17.562 ( 3.065 -25.036 0.022) 25.223 18.432 ( -2.853 1.899 0.609) 3.481 18.470 ( -2.715 6.083 -0.133) 6.663 18.783 ( -0.858 0.891 0.982) 1.579 18.928 ( 1.518 2.571 -0.617) 3.049 19.202 ( -0.656 13.349 1.136) 13.413 19.321 ( 0.752 9.067 -1.093) 9.163 21.737 ( 0.027 0.748 0.388) 0.843 21.793 ( 0.778 1.071 -0.404) 1.384 23.781 ( -2.130 -17.064 3.786) 17.609 24.226 ( 10.850 -20.470 -2.475) 23.299 26.692 ( -5.173 -2.950 0.828) 6.012 27.181 ( 6.446 2.505 5.263) 8.691 27.586 ( -3.999 -0.127 -2.449) 4.691 27.976 ( -0.352 8.115 -5.115) 9.599 31.373 ( -2.451 -10.314 1.170) 10.666 31.387 ( -2.737 -9.411 -1.157) 9.869 33.671 ( -3.509 4.011 3.577) 6.418 34.111 ( 8.951 -2.011 -2.411) 9.485 ======================= Grid point 143 (65/115) ======================= q-point: (-0.33 -0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 115 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.550 ( -7.982 -0.000 6.581) 10.345 1.643 ( -11.819 -0.000 -5.206) 12.915 1.754 ( 1.843 0.000 5.413) 5.718 1.823 ( -11.664 -0.000 -0.054) 11.664 2.088 ( 3.313 0.000 12.692) 13.118 2.176 ( 1.431 0.000 3.752) 4.015 2.243 ( -0.707 -0.000 -10.421) 10.445 2.473 ( 2.725 0.000 0.143) 2.728 2.521 ( -2.048 -0.000 -10.751) 10.944 2.628 ( -7.543 -0.000 -20.810) 22.135 3.139 ( -4.913 -0.000 7.758) 9.183 3.233 ( 1.366 0.000 -0.497) 1.454 3.388 ( -11.010 -0.000 5.481) 12.299 3.426 ( 4.540 0.000 -7.254) 8.557 3.519 ( 0.777 0.000 0.390) 0.869 3.686 ( -2.045 -0.000 -3.066) 3.685 3.691 ( 5.867 0.000 -5.934) 8.344 3.822 ( 4.726 0.000 -0.763) 4.787 4.024 ( -14.797 -0.000 1.173) 14.843 4.058 ( 6.677 0.000 7.346) 9.927 4.355 ( 1.790 0.000 -6.302) 6.551 4.437 ( -2.431 -0.000 12.393) 12.629 4.616 ( -4.273 -0.000 -2.438) 4.920 4.639 ( -1.382 -0.000 8.258) 8.373 4.941 ( -2.595 -0.000 -4.157) 4.901 4.968 ( 2.258 0.000 -2.659) 3.489 5.143 ( -1.400 -0.000 8.256) 8.374 5.188 ( 3.137 0.000 -2.993) 4.335 5.407 ( -2.788 -0.000 10.149) 10.524 5.440 ( 0.408 0.000 1.036) 1.113 5.523 ( 2.740 0.000 -0.290) 2.755 5.551 ( -5.059 -0.000 -6.989) 8.628 5.815 ( 2.963 0.000 1.559) 3.348 6.095 ( 15.111 0.000 -5.209) 15.984 6.289 ( -2.451 -0.000 0.957) 2.631 7.360 ( 15.698 0.000 6.397) 16.951 8.034 ( -9.362 -0.000 4.871) 10.553 8.369 ( -9.914 -0.000 -8.023) 12.754 8.761 ( 3.824 0.000 -0.956) 3.942 8.787 ( 1.812 0.000 -0.295) 1.836 9.159 ( -1.593 -0.000 -0.354) 1.632 9.311 ( 1.606 0.000 -2.353) 2.849 12.794 ( -1.404 -0.000 0.081) 1.406 13.039 ( 1.841 0.000 -2.304) 2.949 13.132 ( 4.105 0.000 -1.579) 4.399 13.214 ( 6.635 0.000 3.185) 7.360 14.500 ( -1.218 -0.000 4.650) 4.806 14.628 ( -2.239 -0.000 -4.085) 4.658 15.673 ( 1.695 0.000 0.199) 1.707 15.705 ( 2.355 0.000 0.001) 2.355 16.179 ( 1.579 0.000 -1.141) 1.949 16.186 ( 0.647 0.000 -0.846) 1.065 16.370 ( -0.220 -0.000 2.815) 2.824 16.442 ( -0.383 -0.000 -0.919) 0.995 18.543 ( -4.533 -0.000 1.371) 4.735 18.732 ( 0.152 0.000 3.758) 3.761 18.842 ( -0.721 -0.000 -2.711) 2.806 18.992 ( 2.182 0.000 -1.261) 2.521 19.653 ( -0.577 -0.000 -0.343) 0.671 19.664 ( 0.045 0.000 0.174) 0.180 21.787 ( 1.139 0.000 0.575) 1.276 21.799 ( 0.083 0.000 -0.186) 0.204 23.089 ( -1.526 -0.000 2.347) 2.799 23.184 ( -1.700 -0.000 -2.405) 2.945 26.666 ( -5.125 -0.000 -0.391) 5.140 27.100 ( 9.736 0.000 7.665) 12.391 27.713 ( -8.920 -0.000 -5.119) 10.285 28.281 ( 7.157 0.000 -2.698) 7.649 31.026 ( -3.681 -0.000 3.177) 4.862 31.111 ( -5.231 -0.000 -3.469) 6.277 33.835 ( -2.516 -0.000 1.631) 2.998 33.935 ( -2.044 -0.000 -1.798) 2.722 ======================= Grid point 144 (66/115) ======================= q-point: (-0.22 -0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.499 ( -20.121 -8.283 -3.520) 22.042 1.658 ( -4.931 -12.145 -2.496) 13.343 1.803 ( -4.536 -10.187 4.497) 12.023 1.916 ( 0.726 -7.237 5.820) 9.315 2.008 ( 4.035 6.214 11.997) 14.100 2.205 ( 3.481 -1.505 -10.672) 11.326 2.375 ( 1.844 -10.610 3.999) 11.488 2.416 ( -5.188 -1.818 -5.036) 7.455 2.632 ( -6.924 -21.374 -13.876) 26.408 2.699 ( -2.363 -16.798 -3.710) 17.364 3.007 ( -21.710 -5.138 -1.828) 22.385 3.224 ( -0.172 2.426 -0.176) 2.439 3.420 ( 3.332 -0.156 9.037) 9.633 3.422 ( 2.209 -2.980 -2.744) 4.614 3.596 ( 1.772 -6.529 -0.481) 6.783 3.623 ( -1.522 3.022 -6.338) 7.184 3.732 ( 2.800 -3.798 -5.735) 7.427 3.834 ( -18.895 0.006 0.737) 18.909 3.917 ( 7.719 0.041 1.528) 7.869 4.218 ( 5.225 -5.274 0.770) 7.463 4.346 ( -2.992 -6.432 6.512) 9.630 4.516 ( -2.846 4.523 3.442) 6.356 4.602 ( 5.180 -4.210 -0.977) 6.747 4.707 ( -3.268 -9.504 9.591) 13.892 4.921 ( 4.218 -5.644 -1.560) 7.217 5.129 ( 0.170 -7.580 -4.330) 8.731 5.169 ( 2.558 -1.957 -0.327) 3.237 5.272 ( 3.596 -6.215 4.120) 8.278 5.420 ( -1.268 -0.231 -0.700) 1.466 5.464 ( -3.069 -7.913 -9.860) 13.010 5.504 ( -1.084 -6.233 7.072) 9.489 5.622 ( 3.573 -6.259 6.942) 10.006 5.849 ( 2.335 0.839 3.252) 4.090 6.198 ( 8.926 0.257 -3.759) 9.688 6.274 ( 1.843 -0.066 -3.941) 4.351 7.415 ( 10.261 13.132 -1.763) 16.758 7.952 ( -10.722 1.629 9.288) 14.278 8.186 ( -12.230 2.486 -5.586) 13.673 8.826 ( 4.182 -2.810 -0.868) 5.113 8.836 ( 1.789 -3.813 0.180) 4.216 9.172 ( -1.579 -3.954 0.211) 4.263 9.329 ( 1.196 -2.025 -2.256) 3.259 12.764 ( -0.942 2.214 0.659) 2.495 12.996 ( -1.424 3.182 -2.968) 4.579 13.176 ( 8.129 2.991 -0.827) 8.701 13.264 ( 6.877 5.885 2.613) 9.421 14.074 ( -1.598 49.925 4.161) 50.124 14.148 ( -2.410 48.202 -3.953) 48.424 15.744 ( 3.347 -4.281 -0.236) 5.439 15.801 ( 4.174 -5.780 0.162) 7.132 16.309 ( 0.482 -5.667 1.399) 5.857 16.388 ( 0.555 -13.183 -2.678) 13.463 16.520 ( -1.568 -18.962 0.867) 19.046 16.574 ( 1.530 -29.328 0.536) 29.373 18.486 ( -5.088 1.188 0.800) 5.286 18.696 ( -1.103 6.489 0.249) 6.587 18.815 ( -1.084 0.792 0.276) 1.370 18.999 ( 2.307 1.510 -0.838) 2.881 19.588 ( -0.673 6.952 -0.270) 6.990 19.594 ( -0.071 8.529 0.218) 8.532 21.774 ( 0.204 1.657 0.051) 1.670 21.815 ( 1.402 -0.190 -0.009) 1.414 23.201 ( -1.759 -14.435 2.421) 14.742 23.372 ( 3.228 -25.798 -1.851) 26.065 26.621 ( -4.783 -1.308 -0.041) 4.958 27.240 ( 10.084 1.102 5.534) 11.555 27.586 ( -9.109 0.123 -2.832) 9.540 28.276 ( 4.895 7.999 -3.613) 10.050 31.056 ( -4.222 -7.031 2.712) 8.638 31.087 ( -5.271 -6.831 -2.828) 9.080 33.793 ( -2.958 2.719 1.690) 4.359 33.955 ( 1.307 -6.016 -1.346) 6.302 ======================= Grid point 145 (67/115) ======================= q-point: (-0.11 -0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.409 ( -20.399 -12.881 -1.211) 24.156 1.774 ( 0.336 0.568 0.613) 0.901 1.791 ( -3.316 1.306 1.231) 3.770 2.055 ( 2.809 -10.097 8.448) 13.462 2.171 ( 3.060 -1.414 2.507) 4.201 2.247 ( -8.125 -10.387 -7.813) 15.329 2.347 ( -1.856 -4.682 -1.093) 5.154 2.610 ( 3.048 -12.451 4.351) 13.537 2.743 ( -3.683 -5.219 -2.320) 6.796 2.851 ( -5.873 -7.186 -1.530) 9.406 3.070 ( -5.118 -21.265 -4.997) 22.436 3.184 ( 2.438 1.653 0.315) 2.962 3.432 ( -4.374 -0.491 2.417) 5.021 3.442 ( -5.297 0.525 -7.944) 9.562 3.597 ( 1.989 -7.543 -1.955) 8.043 3.633 ( -14.856 -1.361 2.503) 15.126 3.721 ( -0.557 -8.180 -0.368) 8.207 3.850 ( 4.731 -4.215 2.046) 6.658 3.953 ( 4.964 4.834 2.753) 7.456 4.314 ( 3.808 -2.744 -1.810) 5.030 4.411 ( -2.230 5.659 4.229) 7.408 4.493 ( -4.790 -8.273 2.942) 10.002 4.687 ( 8.171 0.164 -2.680) 8.601 4.849 ( 1.268 -5.334 2.544) 6.044 5.047 ( 0.759 3.414 1.607) 3.850 5.160 ( -0.348 -1.495 -3.966) 4.253 5.248 ( -1.350 0.072 -1.243) 1.836 5.388 ( 0.876 1.116 2.125) 2.555 5.456 ( 6.421 -8.619 0.050) 10.748 5.594 ( 2.089 0.991 5.567) 6.028 5.721 ( -2.459 -25.355 -4.210) 25.820 5.854 ( 3.357 -6.879 5.017) 9.153 6.080 ( -1.960 -38.625 -0.831) 38.684 6.251 ( 4.627 -1.780 -2.750) 5.670 6.387 ( -0.893 -21.856 -2.791) 22.051 7.277 ( 5.742 0.693 -6.107) 8.411 7.869 ( -9.537 0.541 7.589) 12.200 8.009 ( -10.205 0.266 -0.854) 10.244 8.913 ( 1.066 -5.503 -0.725) 5.652 8.933 ( 1.146 -5.736 0.484) 5.869 9.241 ( -1.310 -6.219 0.803) 6.406 9.373 ( 0.796 -3.512 -1.322) 3.836 12.723 ( -0.226 2.957 1.326) 3.249 12.881 ( -0.409 13.338 -1.136) 13.392 13.044 ( 2.116 51.759 -1.416) 51.822 13.084 ( 1.254 46.236 0.786) 46.260 13.248 ( 2.439 25.519 1.754) 25.696 13.356 ( 1.329 25.831 -1.599) 25.915 15.851 ( 3.631 -4.430 0.104) 5.729 15.930 ( 3.480 -4.945 -0.326) 6.056 16.374 ( -0.400 -2.910 1.702) 3.395 16.492 ( 0.970 -5.534 -2.503) 6.151 16.954 ( -1.631 -32.515 0.436) 32.559 17.142 ( 5.001 -34.745 -0.185) 35.104 18.417 ( -4.503 1.097 0.442) 4.655 18.535 ( -4.459 7.990 -1.528) 9.277 18.796 ( -0.979 1.235 1.920) 2.484 18.986 ( 2.035 2.691 -0.484) 3.409 19.411 ( -0.745 13.468 0.345) 13.493 19.464 ( 0.301 8.913 -0.433) 8.929 21.756 ( 0.266 1.212 0.308) 1.278 21.821 ( 1.404 1.338 -0.499) 2.003 23.479 ( -1.797 -20.649 2.752) 20.909 23.970 ( 19.021 -33.225 -1.924) 38.333 26.607 ( -4.106 -2.285 2.242) 5.206 27.331 ( 8.195 2.592 1.033) 8.657 27.503 ( -6.925 -1.203 1.850) 7.268 28.081 ( -4.211 13.404 -6.306) 15.400 31.167 ( -3.937 -11.597 -0.741) 12.269 31.176 ( -3.791 -11.757 0.804) 12.379 33.717 ( -3.119 4.170 2.317) 5.700 34.155 ( 14.225 -8.978 -1.447) 16.883 ======================= Grid point 153 (68/115) ======================= q-point: (-0.22 -0.22 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 115 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.179 ( -25.368 -0.000 -2.975) 25.541 1.193 ( -22.281 -0.000 -8.777) 23.948 1.747 ( -0.457 -0.000 10.250) 10.260 1.890 ( 5.476 0.000 5.167) 7.529 2.051 ( -21.072 -0.000 -6.332) 22.003 2.249 ( -4.110 -0.000 -4.508) 6.101 2.271 ( -2.876 -0.000 1.583) 3.283 2.272 ( 1.916 0.000 0.839) 2.092 2.345 ( 1.712 0.000 -10.178) 10.321 2.564 ( 4.535 0.000 1.192) 4.689 2.754 ( -11.668 -0.000 1.143) 11.724 3.246 ( -2.575 -0.000 2.012) 3.268 3.405 ( 2.658 0.000 -5.136) 5.783 3.505 ( -1.598 -0.000 10.817) 10.934 3.510 ( -12.002 -0.000 -8.435) 14.669 3.540 ( -5.561 -0.000 -2.897) 6.270 3.672 ( -10.491 -0.000 2.667) 10.824 3.715 ( 9.228 0.000 -5.185) 10.584 4.018 ( 7.925 0.000 2.639) 8.353 4.223 ( 1.942 0.000 4.418) 4.826 4.317 ( -3.684 -0.000 2.195) 4.288 4.483 ( -3.192 -0.000 5.902) 6.710 4.607 ( 6.726 0.000 -5.900) 8.947 4.696 ( -2.157 -0.000 10.904) 11.115 4.924 ( 3.295 0.000 -4.241) 5.371 5.036 ( 6.694 0.000 -5.818) 8.869 5.163 ( 3.067 0.000 -10.721) 11.151 5.301 ( 1.714 0.000 5.650) 5.905 5.371 ( 2.266 0.000 -2.118) 3.102 5.405 ( -0.444 -0.000 0.148) 0.468 5.517 ( 1.966 0.000 10.688) 10.867 5.686 ( 4.266 0.000 6.337) 7.639 5.904 ( 1.631 0.000 5.483) 5.720 6.216 ( 0.714 0.000 -4.365) 4.423 6.306 ( 6.664 0.000 -7.649) 10.145 7.578 ( 7.361 0.000 -16.196) 17.790 7.937 ( -10.624 -0.000 19.803) 22.473 8.035 ( -14.329 -0.000 -2.363) 14.523 8.822 ( 1.121 0.000 -0.035) 1.121 8.876 ( 7.350 0.000 -0.530) 7.369 9.126 ( -1.518 -0.000 1.059) 1.851 9.311 ( 0.866 0.000 -2.277) 2.437 12.778 ( -0.911 -0.000 1.718) 1.945 12.987 ( -1.218 -0.000 -2.622) 2.892 13.282 ( 8.117 0.000 -1.039) 8.183 13.403 ( 7.489 0.000 1.943) 7.737 14.514 ( -2.093 -0.000 3.840) 4.374 14.521 ( -2.987 -0.000 -4.076) 5.053 15.748 ( 4.855 0.000 0.435) 4.874 15.773 ( 4.117 0.000 -0.531) 4.151 16.181 ( -0.601 -0.000 -0.413) 0.729 16.206 ( 1.677 0.000 -0.582) 1.775 16.384 ( -0.998 -0.000 1.705) 1.976 16.422 ( -0.372 -0.000 -1.010) 1.076 18.439 ( -5.717 -0.000 0.480) 5.738 18.734 ( 0.047 0.000 -8.092) 8.092 18.836 ( -0.496 -0.000 7.982) 7.998 19.033 ( 2.392 0.000 -0.681) 2.488 19.633 ( -0.980 -0.000 -0.158) 0.992 19.665 ( -0.178 -0.000 0.159) 0.238 21.795 ( -0.037 -0.000 -0.589) 0.590 21.821 ( 1.664 0.000 -0.092) 1.666 23.076 ( -1.976 -0.000 1.969) 2.789 23.122 ( -1.561 -0.000 -1.913) 2.469 26.568 ( -3.874 -0.000 2.014) 4.367 27.364 ( 7.174 0.000 -5.505) 9.043 27.494 ( -6.712 -0.000 8.110) 10.527 28.390 ( 6.129 0.000 -5.240) 8.063 30.957 ( -5.321 -0.000 -2.501) 5.879 30.965 ( -4.756 -0.000 2.452) 5.350 33.793 ( -2.908 -0.000 1.451) 3.250 33.868 ( -2.137 -0.000 -1.492) 2.606 ======================= Grid point 154 (69/115) ======================= q-point: (-0.11 -0.22 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.974 ( -23.192 -12.002 2.217) 26.207 1.405 ( -16.347 -32.325 0.093) 36.223 1.771 ( -30.464 -20.025 -0.909) 36.467 1.896 ( 1.676 -3.189 4.643) 5.877 2.059 ( 4.227 -1.212 5.074) 6.714 2.194 ( -0.749 -2.138 -2.736) 3.552 2.283 ( 5.337 -6.239 4.464) 9.345 2.311 ( 0.149 -17.135 -10.223) 19.954 2.532 ( 0.134 -14.575 1.620) 14.665 2.684 ( 1.311 -7.736 -0.539) 7.865 2.756 ( 1.110 -4.907 -0.001) 5.031 3.194 ( -10.000 -1.280 1.614) 10.210 3.263 ( -14.321 1.214 -6.568) 15.802 3.404 ( -2.896 -2.229 -1.290) 3.876 3.526 ( -2.354 2.373 0.981) 3.484 3.581 ( 1.107 -3.963 1.217) 4.291 3.593 ( -5.084 -3.804 2.224) 6.728 3.847 ( 6.627 -5.671 0.444) 8.734 4.099 ( 5.320 2.740 2.829) 6.620 4.288 ( 2.263 -3.442 -1.318) 4.325 4.333 ( -3.800 -7.154 6.746) 10.542 4.515 ( -0.661 2.975 2.833) 4.161 4.697 ( 2.338 -11.289 -1.284) 11.600 4.771 ( 1.637 -2.844 7.500) 8.186 5.004 ( 5.021 -13.886 -7.537) 16.579 5.102 ( 3.796 0.477 -7.263) 8.209 5.123 ( 0.186 -0.919 -0.944) 1.330 5.283 ( -2.478 -1.936 -7.313) 7.960 5.405 ( -0.225 -0.086 1.297) 1.319 5.537 ( 4.513 -11.780 3.107) 12.992 5.662 ( 11.808 0.052 8.758) 14.701 5.751 ( 3.006 -0.997 1.095) 3.351 5.961 ( 2.142 -0.607 8.952) 9.224 6.199 ( 0.705 -3.047 -7.493) 8.120 6.305 ( 2.360 1.887 -3.324) 4.492 7.387 ( -1.798 14.762 -18.385) 23.646 7.836 ( -13.560 4.453 7.717) 16.226 7.907 ( -11.808 1.676 8.436) 14.608 8.855 ( 0.227 -3.061 -0.155) 3.073 8.902 ( 1.438 1.613 -1.516) 2.640 9.153 ( -1.204 -3.990 1.870) 4.568 9.331 ( 1.072 -2.129 0.507) 2.437 12.766 ( -0.642 1.916 2.787) 3.442 12.949 ( -0.730 2.549 -0.408) 2.683 13.322 ( 6.695 4.943 -2.810) 8.784 13.432 ( 6.080 6.987 0.480) 9.274 14.050 ( -1.948 47.505 -2.859) 47.631 14.080 ( -2.219 49.366 2.864) 49.499 15.832 ( 4.662 -3.777 -0.075) 6.000 15.895 ( 4.123 -4.773 -0.450) 6.324 16.335 ( 0.288 -3.602 1.094) 3.775 16.379 ( 1.019 -15.334 -1.512) 15.442 16.486 ( -2.079 -17.183 0.323) 17.312 16.633 ( 4.871 -35.788 -0.941) 36.131 18.377 ( -5.113 0.361 0.278) 5.134 18.589 ( -5.218 8.409 -8.524) 13.061 18.843 ( -0.795 4.054 7.810) 8.836 19.041 ( 2.064 1.681 -0.409) 2.693 19.567 ( -0.883 6.835 -0.191) 6.894 19.595 ( -0.042 7.945 0.193) 7.947 21.778 ( 0.222 1.012 -0.100) 1.040 21.852 ( 2.423 -0.027 -0.758) 2.539 23.187 ( -1.786 -14.997 1.892) 15.221 23.551 ( 19.713 -47.253 -4.693) 51.414 26.574 ( -1.457 -1.239 8.031) 8.256 27.330 ( -2.743 -1.761 -7.939) 8.582 27.541 ( 2.896 2.331 10.507) 11.145 28.231 ( -5.637 18.488 -9.360) 21.475 30.957 ( -4.043 -8.045 -1.603) 9.145 30.987 ( -4.218 -7.544 1.666) 8.802 33.749 ( -2.630 2.439 1.578) 3.919 34.063 ( 13.347 -22.366 -3.187) 26.240 ======================= Grid point 163 (70/115) ======================= q-point: (-0.11 -0.11 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 115 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.583 ( -25.381 -0.000 1.270) 25.413 0.643 ( -24.374 -0.000 11.644) 27.012 1.226 ( -45.856 -0.000 19.949) 50.007 1.931 ( 1.077 0.000 -2.022) 2.291 2.009 ( -1.400 -0.000 -5.101) 5.290 2.065 ( 6.812 0.000 -3.264) 7.554 2.285 ( 4.592 0.000 -0.135) 4.594 2.347 ( -0.828 -0.000 11.053) 11.084 2.414 ( 4.114 0.000 0.639) 4.164 2.621 ( -2.741 -0.000 -9.560) 9.945 2.754 ( 5.109 0.000 1.104) 5.227 2.993 ( -12.871 -0.000 5.866) 14.144 3.184 ( -9.984 -0.000 4.796) 11.076 3.326 ( -3.940 -0.000 -4.192) 5.752 3.505 ( -2.667 -0.000 0.220) 2.676 3.550 ( -1.975 -0.000 -1.235) 2.329 3.558 ( 0.040 0.000 3.097) 3.097 3.832 ( 1.878 0.000 -1.792) 2.596 4.145 ( 0.812 0.000 1.722) 1.903 4.274 ( 1.640 0.000 -1.357) 2.129 4.314 ( -2.086 -0.000 7.851) 8.123 4.462 ( -1.021 -0.000 0.297) 1.063 4.683 ( 5.852 0.000 -5.277) 7.880 4.859 ( 4.522 0.000 8.812) 9.905 4.950 ( 5.765 0.000 1.975) 6.093 5.107 ( 5.476 0.000 -4.688) 7.209 5.165 ( 6.519 0.000 -6.838) 9.448 5.182 ( -3.935 -0.000 -3.438) 5.226 5.405 ( -1.049 -0.000 1.231) 1.618 5.469 ( -1.692 -0.000 4.450) 4.761 5.782 ( 1.466 0.000 -1.023) 1.788 5.863 ( 13.976 0.000 -8.089) 16.147 6.041 ( 3.283 0.000 11.511) 11.970 6.169 ( 6.819 0.000 -1.186) 6.921 6.321 ( -0.599 -0.000 2.084) 2.168 7.387 ( -0.455 -0.000 -23.592) 23.597 7.737 ( -13.574 -0.000 3.032) 13.909 7.929 ( -11.658 -0.000 8.558) 14.462 8.830 ( -0.267 -0.000 0.223) 0.348 8.921 ( -3.293 -0.000 -11.546) 12.007 9.124 ( -0.966 -0.000 3.107) 3.253 9.392 ( 7.647 0.000 9.917) 12.523 12.802 ( 0.049 0.000 4.614) 4.615 12.957 ( -0.096 -0.000 0.173) 0.198 13.412 ( 5.628 0.000 -2.907) 6.334 13.539 ( 3.942 0.000 -2.029) 4.434 14.430 ( -1.478 -0.000 -2.009) 2.494 14.499 ( -2.531 -0.000 2.343) 3.449 15.858 ( 4.474 0.000 -1.500) 4.719 15.871 ( 5.345 0.000 0.322) 5.354 16.151 ( -1.973 -0.000 0.553) 2.049 16.230 ( 1.228 0.000 -0.750) 1.438 16.364 ( -2.062 -0.000 0.853) 2.232 16.406 ( 0.151 0.000 -1.067) 1.077 18.329 ( -4.335 -0.000 0.152) 4.338 18.523 ( -8.232 -0.000 -16.579) 18.510 18.997 ( 5.297 0.000 10.885) 12.106 19.072 ( 1.685 0.000 -0.236) 1.702 19.612 ( -0.817 -0.000 0.198) 0.840 19.661 ( -0.260 -0.000 -0.013) 0.261 21.787 ( 0.143 0.000 -0.451) 0.473 21.852 ( 1.477 0.000 -0.603) 1.595 23.053 ( -1.744 -0.000 1.220) 2.128 23.080 ( -0.522 -0.000 -1.163) 1.274 26.672 ( 9.020 0.000 21.168) 23.009 27.240 ( -3.121 -0.000 -4.841) 5.759 27.648 ( 2.589 0.000 7.420) 7.859 28.307 ( -6.482 -0.000 -21.007) 21.984 30.846 ( -2.835 -0.000 -1.024) 3.014 30.891 ( -3.732 -0.000 1.134) 3.901 33.751 ( -2.186 -0.000 1.118) 2.455 33.818 ( -1.035 -0.000 -1.098) 1.509 ======================= Grid point 164 (71/115) ======================= q-point: ( 0.00 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 115 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.028 ( 10.571 0.000 16.697) 19.762 1.108 ( 3.218 0.000 24.980) 25.186 1.332 ( -9.282 -0.000 -11.497) 14.777 1.663 ( -4.529 -0.000 -24.881) 25.290 1.998 ( -0.415 -0.000 0.864) 0.959 2.041 ( 1.922 0.000 12.023) 12.175 2.211 ( 2.148 0.000 18.399) 18.524 2.510 ( 0.720 0.000 0.283) 0.773 2.643 ( 0.052 0.000 0.683) 0.685 2.685 ( 4.264 0.000 -0.344) 4.278 2.993 ( -1.258 -0.000 -1.432) 1.906 3.012 ( -1.849 -0.000 8.491) 8.690 3.060 ( 0.622 0.000 -3.046) 3.109 3.304 ( -2.209 -0.000 -13.054) 13.239 3.426 ( -3.753 -0.000 11.258) 11.867 3.586 ( 5.456 0.000 5.596) 7.816 3.624 ( 6.526 0.000 -5.307) 8.412 3.703 ( -4.295 -0.000 -6.917) 8.142 4.178 ( -7.065 -0.000 6.940) 9.903 4.318 ( 6.593 0.000 -2.314) 6.987 4.457 ( -1.207 -0.000 1.092) 1.627 4.542 ( -3.719 -0.000 8.157) 8.964 4.560 ( -2.143 -0.000 -7.385) 7.690 4.755 ( 8.646 0.000 -8.943) 12.439 4.829 ( 1.404 0.000 -4.067) 4.302 4.921 ( -0.439 -0.000 -9.765) 9.774 5.244 ( -0.857 -0.000 5.948) 6.010 5.317 ( -2.683 -0.000 1.676) 3.164 5.365 ( 0.560 0.000 -3.476) 3.520 5.379 ( 0.938 0.000 -5.035) 5.122 5.615 ( -3.113 -0.000 0.129) 3.116 5.622 ( -0.402 -0.000 -1.701) 1.747 6.104 ( -10.050 -0.000 6.186) 11.801 6.214 ( 4.549 0.000 -4.221) 6.206 7.014 ( 14.683 0.000 12.721) 19.427 7.219 ( -11.786 -0.000 -7.204) 13.813 7.551 ( -7.649 -0.000 0.685) 7.679 7.566 ( 8.774 0.000 -0.658) 8.799 8.789 ( 2.158 0.000 1.123) 2.433 8.811 ( -1.255 -0.000 -0.824) 1.501 9.303 ( -1.546 -0.000 8.589) 8.727 9.487 ( 1.995 0.000 -8.394) 8.628 12.957 ( -2.340 -0.000 6.030) 6.468 13.034 ( 2.364 0.000 -0.103) 2.366 13.366 ( 1.096 0.000 -1.362) 1.748 13.420 ( -1.210 -0.000 -5.336) 5.471 14.459 ( 3.482 0.000 0.937) 3.606 14.469 ( -3.404 -0.000 -0.036) 3.405 15.926 ( 1.195 0.000 0.358) 1.248 15.932 ( -1.033 -0.000 -0.239) 1.060 16.167 ( -1.687 -0.000 2.123) 2.711 16.211 ( 1.856 0.000 -1.972) 2.708 16.349 ( -1.850 -0.000 1.176) 2.192 16.378 ( 1.507 0.000 -1.452) 2.093 18.266 ( 1.668 0.000 0.216) 1.682 18.271 ( -0.708 -0.000 -0.269) 0.757 19.104 ( 0.740 0.000 0.492) 0.889 19.115 ( -1.326 -0.000 -0.535) 1.429 19.628 ( 0.160 0.000 0.936) 0.950 19.645 ( -0.150 -0.000 -0.663) 0.680 21.820 ( -0.465 -0.000 1.198) 1.285 21.846 ( 0.494 0.000 -1.156) 1.257 23.046 ( -1.564 -0.000 0.755) 1.737 23.062 ( 1.532 0.000 -0.742) 1.702 27.160 ( -11.345 -0.000 1.081) 11.397 27.183 ( 5.913 0.000 -1.090) 6.012 27.775 ( -8.692 -0.000 4.826) 9.942 27.879 ( 14.740 0.000 -4.798) 15.502 30.830 ( 1.800 0.000 0.422) 1.849 30.838 ( -1.799 -0.000 -0.313) 1.826 33.754 ( -1.179 -0.000 1.305) 1.759 33.781 ( 1.180 0.000 -1.265) 1.730 ======================= Grid point 165 (72/115) ======================= q-point: ( 0.11 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.397 ( 9.727 -10.734 22.165) 26.478 1.454 ( -4.822 -26.215 -5.194) 27.156 1.538 ( 1.883 -8.023 -12.240) 14.756 1.572 ( 6.319 -22.878 -3.452) 23.984 1.962 ( -1.602 2.601 3.743) 4.831 2.054 ( 2.606 -0.013 -4.666) 5.344 2.355 ( 2.801 1.257 15.130) 15.439 2.518 ( 6.288 0.265 -7.453) 9.755 2.785 ( 1.508 -11.423 11.690) 16.414 2.874 ( 0.384 -13.672 -10.709) 17.371 3.055 ( 2.733 -7.747 3.221) 8.824 3.060 ( 0.034 -4.942 -4.605) 6.755 3.193 ( -2.531 -13.143 6.972) 15.092 3.307 ( 0.001 -12.633 -5.883) 13.935 3.428 ( -3.102 0.767 6.296) 7.061 3.631 ( 8.067 2.669 -7.250) 11.170 3.736 ( -2.630 -15.392 -7.357) 17.261 3.787 ( 8.122 -11.918 6.904) 15.990 4.133 ( -7.297 0.253 8.888) 11.503 4.362 ( 2.750 1.734 -1.852) 3.742 4.370 ( -4.972 5.301 3.323) 7.991 4.508 ( -2.681 -1.851 -9.131) 9.695 4.538 ( -0.933 0.846 3.503) 3.722 4.772 ( 8.209 0.990 -7.552) 11.198 4.863 ( -4.030 -3.772 1.446) 5.706 4.935 ( 2.527 -5.192 -7.136) 9.179 5.253 ( -4.984 -0.037 4.701) 6.852 5.327 ( -4.383 -3.733 4.034) 7.030 5.347 ( 0.419 -0.640 -4.086) 4.157 5.396 ( -0.643 -5.735 -3.017) 6.512 5.646 ( -5.072 -10.666 -0.173) 11.812 5.702 ( 1.183 -13.429 2.643) 13.738 6.027 ( -11.730 -0.788 8.153) 14.307 6.233 ( 3.204 -0.290 -2.822) 4.280 6.922 ( -9.301 11.120 -6.365) 15.833 7.014 ( -5.508 11.224 3.557) 12.999 7.621 ( 14.868 -1.093 1.778) 15.014 7.691 ( 13.968 1.971 -0.151) 14.107 8.826 ( -0.089 -3.734 -1.014) 3.870 8.846 ( 2.396 -3.033 0.445) 3.890 9.336 ( -2.201 -0.998 6.931) 7.340 9.432 ( 0.215 1.310 -6.219) 6.359 12.954 ( -2.648 1.391 5.676) 6.416 13.046 ( 1.995 1.439 -2.345) 3.398 13.313 ( -1.911 7.115 -1.826) 7.590 13.317 ( -1.336 6.805 -1.760) 7.155 14.022 ( -2.909 47.376 -0.060) 47.465 14.094 ( 3.737 46.835 0.444) 46.986 15.935 ( -2.312 -2.214 0.385) 3.224 15.937 ( -2.282 -3.122 -0.450) 3.893 16.353 ( -1.488 -2.973 1.074) 3.494 16.395 ( 1.306 -6.424 -1.318) 6.687 16.491 ( -0.988 -30.807 2.844) 30.954 16.541 ( 0.327 -33.289 -3.435) 33.467 18.278 ( 1.966 -0.344 -0.349) 2.026 18.299 ( 4.217 0.044 -0.586) 4.257 19.047 ( -2.027 5.264 1.576) 5.857 19.074 ( -0.226 4.233 -0.437) 4.262 19.571 ( 0.371 8.010 0.524) 8.036 19.574 ( 0.155 7.812 -0.450) 7.827 21.807 ( -1.068 1.251 1.199) 2.035 21.830 ( -0.338 1.133 -1.498) 1.909 23.224 ( -1.991 -22.301 4.657) 22.869 23.319 ( 0.867 -27.961 -7.310) 28.913 27.053 ( -11.644 -0.665 5.750) 13.003 27.243 ( 0.379 -2.579 -0.708) 2.701 27.656 ( -3.512 8.140 1.842) 9.055 27.921 ( 14.366 9.051 -6.052) 18.026 30.893 ( -0.052 -8.469 -0.339) 8.476 30.927 ( 3.364 -8.068 0.392) 8.750 33.784 ( -1.082 -3.489 4.424) 5.737 33.865 ( 1.066 -8.250 -6.472) 10.540 ======================= Grid point 166 (73/115) ======================= q-point: ( 0.22 0.00 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.496 ( -2.989 -4.303 -10.475) 11.712 1.728 ( 0.909 -3.405 11.360) 11.894 1.785 ( 2.306 -16.074 -2.066) 16.369 1.848 ( 2.438 -9.052 6.019) 11.141 2.045 ( 4.026 -8.888 2.472) 10.065 2.175 ( 5.702 -11.152 -1.242) 12.587 2.443 ( 2.961 -3.109 4.536) 6.246 2.566 ( 11.379 -1.821 -13.449) 17.710 2.887 ( -0.301 1.902 2.383) 3.064 3.015 ( 3.601 -8.842 -4.678) 10.632 3.105 ( -1.686 0.094 5.122) 5.393 3.126 ( -0.026 0.152 -2.647) 2.651 3.339 ( -4.464 -5.928 -2.196) 7.739 3.455 ( 0.628 -4.897 2.796) 5.674 3.555 ( 4.410 -11.032 0.015) 11.881 3.637 ( 4.385 1.676 -3.942) 6.130 3.913 ( -0.600 -6.694 -5.822) 8.892 4.167 ( 4.803 -12.157 10.690) 16.886 4.238 ( -2.899 -13.896 6.992) 15.823 4.292 ( -6.791 -3.012 9.728) 12.240 4.317 ( 0.626 0.810 -2.886) 3.063 4.440 ( -3.037 -2.645 -12.728) 13.350 4.558 ( 1.404 -1.167 -0.153) 1.832 4.801 ( 4.134 1.797 -4.629) 6.461 4.870 ( -6.235 -2.339 7.369) 9.932 4.977 ( 2.636 -1.507 -6.279) 6.975 5.201 ( -8.124 -0.325 1.740) 8.315 5.310 ( -4.381 -1.327 -2.754) 5.342 5.345 ( -2.467 -1.938 2.144) 3.800 5.502 ( 3.197 -1.996 3.394) 5.072 5.879 ( -4.564 -10.190 5.686) 12.530 6.011 ( -7.652 -24.371 -0.379) 25.546 6.186 ( 3.386 -29.485 0.031) 29.678 6.313 ( 3.398 -14.134 -1.966) 14.669 6.687 ( -4.134 0.561 -6.856) 8.025 6.838 ( -6.486 -7.464 0.914) 9.931 7.758 ( 10.799 2.154 -0.032) 11.012 7.859 ( 15.099 -2.488 2.188) 15.458 8.903 ( 0.520 -6.041 -0.580) 6.091 8.932 ( 1.403 -5.194 0.164) 5.383 9.370 ( -2.210 -2.688 3.724) 5.097 9.409 ( -0.092 -1.880 -3.861) 4.295 12.890 ( -2.957 13.783 4.084) 14.677 12.959 ( 0.633 35.384 -3.463) 35.559 13.020 ( -0.527 20.974 -3.810) 21.324 13.047 ( 0.691 42.044 3.272) 42.177 13.251 ( -4.051 19.238 0.440) 19.665 13.360 ( 1.199 35.378 -0.777) 35.407 15.949 ( -2.898 -2.862 0.583) 4.115 15.966 ( -2.324 -3.940 -0.807) 4.645 16.393 ( -2.015 -3.722 1.758) 4.583 16.472 ( 1.758 -4.398 -2.175) 5.212 17.034 ( -2.301 -35.323 0.947) 35.411 17.072 ( -1.181 -35.595 -0.740) 35.622 18.316 ( 3.483 -0.609 0.195) 3.541 18.340 ( 4.304 0.250 -0.612) 4.355 18.956 ( -1.616 5.248 2.656) 6.100 18.982 ( -0.252 5.665 -2.079) 6.040 19.407 ( -0.257 12.173 -0.162) 12.177 19.440 ( 1.004 10.475 0.077) 10.523 21.779 ( -1.030 1.479 0.999) 2.061 21.798 ( -0.265 1.472 -1.109) 1.861 23.641 ( -5.464 -27.581 11.380) 30.333 23.718 ( -0.301 -28.356 -10.543) 30.254 27.006 ( -8.131 -1.093 9.078) 12.236 27.199 ( -12.470 -1.613 -4.448) 13.337 27.554 ( 11.226 9.616 0.815) 14.804 27.881 ( 10.668 8.393 -6.495) 15.048 31.074 ( 1.203 -13.611 -0.104) 13.664 31.130 ( 3.920 -12.201 0.142) 12.816 33.860 ( -3.957 -2.952 10.032) 11.181 33.924 ( 0.529 -4.224 -9.168) 10.108 ======================= Grid point 167 (74/115) ======================= q-point: ( 0.33 0.00 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.508 ( -3.015 -4.617 0.785) 5.570 1.712 ( -1.146 0.914 -0.351) 1.508 1.978 ( 3.876 -4.744 -0.613) 6.157 2.040 ( -2.357 -7.874 3.921) 9.106 2.276 ( 3.805 -10.932 6.101) 13.085 2.386 ( 1.789 -10.557 1.562) 10.821 2.545 ( 1.927 -4.115 -5.791) 7.361 2.678 ( 16.126 -1.960 -8.482) 18.326 2.845 ( -2.135 3.744 4.222) 6.033 3.039 ( 0.962 6.045 -5.024) 7.919 3.079 ( -1.009 1.900 2.921) 3.628 3.178 ( 7.338 -6.282 -5.105) 10.926 3.352 ( -3.678 -2.661 2.015) 4.966 3.499 ( -3.753 0.700 -0.933) 3.930 3.650 ( 4.346 -3.932 -0.637) 5.895 3.703 ( -1.205 -3.242 2.115) 4.054 3.926 ( 0.209 0.675 0.569) 0.907 4.148 ( -8.158 4.350 2.927) 9.697 4.266 ( -3.861 4.899 0.528) 6.260 4.308 ( -1.069 -2.304 -3.809) 4.578 4.436 ( 1.317 -3.857 7.531) 8.563 4.572 ( 4.739 -1.012 -2.228) 5.334 4.632 ( -0.032 -16.699 -7.263) 18.210 4.737 ( -1.389 3.152 -0.787) 3.533 4.915 ( -1.954 -2.762 8.896) 9.517 5.010 ( 5.847 -1.592 -5.571) 8.232 5.136 ( -5.190 -0.905 -0.709) 5.316 5.278 ( -3.227 -1.566 -1.862) 4.041 5.368 ( -3.364 -2.886 4.592) 6.382 5.565 ( 3.038 -0.795 1.758) 3.598 5.900 ( -4.646 0.202 4.568) 6.519 6.080 ( -2.877 3.418 -1.616) 4.751 6.347 ( 5.695 5.471 -1.535) 8.045 6.406 ( 1.416 5.445 -5.589) 7.931 7.250 ( -1.492 -59.712 0.826) 59.736 7.552 ( -0.794 -69.005 -1.280) 69.022 7.862 ( 3.709 -13.999 1.439) 14.553 8.146 ( 7.570 -25.204 2.246) 26.412 8.999 ( 0.079 -5.888 -0.201) 5.892 9.031 ( 1.108 -5.457 0.129) 5.570 9.412 ( -1.673 -3.227 1.647) 3.991 9.431 ( 0.004 -2.807 -2.327) 3.646 11.829 ( -0.838 84.165 0.580) 84.171 11.934 ( 3.353 83.037 -0.868) 83.110 12.835 ( -3.053 5.680 2.734) 7.005 12.913 ( 0.171 5.125 -3.308) 6.102 13.065 ( -1.776 6.886 -0.842) 7.161 13.102 ( -1.309 8.742 0.701) 8.868 15.965 ( -2.172 -2.044 0.935) 3.125 15.993 ( -1.949 -3.243 -1.127) 3.948 16.439 ( -2.134 -3.397 2.360) 4.654 16.536 ( 1.735 -3.167 -3.121) 4.773 17.485 ( -1.923 -26.431 -1.698) 26.555 17.545 ( -1.901 -26.189 1.768) 26.318 18.366 ( 2.877 -0.712 0.751) 3.058 18.375 ( 3.216 0.313 -0.126) 3.234 18.883 ( -0.718 3.853 0.851) 4.011 18.896 ( -0.061 3.861 -0.537) 3.899 19.211 ( -0.547 12.202 0.446) 12.222 19.288 ( 1.103 10.092 -0.648) 10.173 21.754 ( -0.733 1.271 0.845) 1.693 21.773 ( 0.092 0.778 -0.877) 1.176 23.998 ( -8.289 -18.162 12.550) 23.581 24.041 ( 1.517 -20.089 -9.063) 22.091 26.945 ( -10.692 2.006 1.218) 10.947 27.108 ( -3.495 -2.693 2.610) 5.126 27.573 ( 9.944 5.117 0.908) 11.221 27.826 ( 6.577 5.685 -7.556) 11.519 31.299 ( 1.391 -12.687 0.031) 12.763 31.355 ( 3.314 -10.915 0.013) 11.407 33.862 ( -5.555 1.461 5.358) 7.856 33.935 ( 0.551 -1.245 -2.150) 2.545 ======================= Grid point 168 (75/115) ======================= q-point: ( 0.44 0.00 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.533 ( -4.020 -1.482 4.950) 6.547 1.756 ( 3.250 -3.946 0.630) 5.151 2.029 ( 0.750 -0.578 -3.759) 3.877 2.093 ( -1.559 -1.492 -0.126) 2.162 2.414 ( -3.248 0.922 5.860) 6.763 2.560 ( 0.970 -7.950 3.057) 8.572 2.610 ( 2.000 -7.796 -4.005) 8.989 2.724 ( 2.251 6.029 2.598) 6.940 2.842 ( 3.262 -1.145 -2.535) 4.287 2.911 ( 2.128 8.213 -7.759) 11.497 3.073 ( 1.263 1.242 4.073) 4.442 3.298 ( 0.339 3.269 0.028) 3.286 3.373 ( 5.357 -8.020 -2.709) 10.018 3.488 ( -4.347 -3.718 1.239) 5.853 3.685 ( -2.223 -0.454 2.312) 3.240 3.762 ( 3.515 -2.736 0.939) 4.552 3.857 ( -5.695 7.149 -0.241) 9.143 4.039 ( -1.116 1.620 0.376) 2.003 4.135 ( -3.967 4.018 -1.800) 5.926 4.321 ( 1.888 0.119 -2.903) 3.465 4.499 ( -4.505 -3.550 4.830) 7.498 4.574 ( 4.991 3.438 -2.581) 6.587 4.710 ( 0.382 1.974 2.460) 3.177 4.801 ( -0.727 -9.212 -4.535) 10.294 4.981 ( -0.305 -1.147 3.993) 4.166 5.054 ( 3.231 0.313 -1.211) 3.465 5.129 ( -1.028 -3.351 -3.863) 5.216 5.266 ( -1.052 -1.313 -0.852) 1.886 5.431 ( -0.909 -4.539 5.284) 7.025 5.636 ( 3.350 -4.310 0.274) 5.466 5.828 ( -4.353 5.669 1.688) 7.344 5.942 ( -1.594 6.892 -3.014) 7.690 6.308 ( 2.763 5.084 2.244) 6.206 6.361 ( -0.565 -2.546 -4.146) 4.898 7.732 ( 0.301 -6.601 4.433) 7.958 7.849 ( 4.777 -1.553 -4.068) 6.464 8.974 ( -0.321 -68.863 -2.169) 68.898 9.034 ( -1.590 -59.638 2.464) 59.711 9.077 ( 0.283 -4.865 -0.229) 4.879 9.179 ( -1.531 -47.078 2.131) 47.151 9.443 ( -1.312 -2.240 1.061) 2.804 9.455 ( 0.288 -1.259 -1.251) 1.798 10.471 ( -0.480 89.502 0.621) 89.506 10.620 ( 4.894 90.522 -1.533) 90.667 12.751 ( -2.039 3.098 2.539) 4.494 12.834 ( -0.085 2.765 -2.021) 3.426 12.977 ( -0.938 2.603 -0.087) 2.769 13.008 ( -0.008 2.018 -0.765) 2.158 15.974 ( -0.610 -0.341 1.221) 1.407 16.008 ( -0.991 -1.582 -1.293) 2.271 16.473 ( -1.950 -1.863 2.841) 3.917 16.565 ( 1.713 -0.652 -3.730) 4.156 17.758 ( -1.099 -10.777 -0.656) 10.853 17.821 ( -0.556 -10.128 0.225) 10.145 18.393 ( 1.281 0.304 0.415) 1.380 18.401 ( 0.954 -0.385 0.386) 1.099 18.840 ( -1.001 2.023 1.860) 2.924 18.856 ( 1.012 0.921 -1.114) 1.765 19.062 ( -0.907 5.391 0.953) 5.549 19.171 ( 0.997 4.829 -1.367) 5.117 21.738 ( -0.383 0.410 0.406) 0.692 21.764 ( 0.190 0.181 -0.528) 0.590 24.149 ( -7.894 -4.572 9.935) 13.488 24.261 ( 6.142 -9.587 -7.927) 13.873 26.811 ( -6.426 2.009 -0.417) 6.746 27.175 ( 0.765 -3.425 4.522) 5.724 27.598 ( 3.790 2.483 1.866) 4.900 27.762 ( 2.224 2.928 -7.918) 8.730 31.457 ( 0.589 -5.459 -0.076) 5.491 31.503 ( 1.419 -4.199 0.112) 4.434 33.792 ( -6.520 2.689 6.572) 9.640 33.964 ( 5.158 -1.949 -4.599) 7.180 ======================= Grid point 169 (76/115) ======================= q-point: (-0.44 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.569 ( -0.023 -4.033 2.975) 5.012 1.765 ( -5.020 6.021 -0.189) 7.842 2.013 ( 2.741 -0.596 -3.298) 4.330 2.089 ( 3.158 3.308 -0.088) 4.575 2.332 ( -13.583 1.403 10.505) 17.229 2.574 ( 4.290 11.924 -0.266) 12.675 2.641 ( 0.907 4.365 -1.015) 4.573 2.759 ( -1.664 0.031 0.533) 1.748 2.827 ( -4.957 -2.728 0.119) 5.660 2.848 ( 6.561 -4.222 -5.279) 9.420 3.079 ( -2.822 0.941 2.830) 4.106 3.292 ( -0.615 -1.182 0.515) 1.428 3.328 ( -4.002 5.275 0.540) 6.643 3.572 ( 3.193 2.007 -5.042) 6.297 3.664 ( -4.136 1.308 2.911) 5.224 3.798 ( 0.890 -1.913 1.068) 2.365 3.840 ( 9.744 -3.620 0.021) 10.394 3.986 ( -2.988 3.419 3.336) 5.634 4.088 ( 1.460 1.149 2.234) 2.905 4.317 ( -0.001 -0.281 -1.487) 1.513 4.524 ( -4.118 -2.440 3.242) 5.781 4.559 ( 4.554 4.269 -1.705) 6.471 4.665 ( -0.206 4.533 2.271) 5.075 4.856 ( -2.714 -3.947 -5.417) 7.231 5.013 ( 0.854 -1.466 1.244) 2.104 5.039 ( -0.475 3.098 -0.669) 3.205 5.131 ( -0.312 -1.496 -3.562) 3.876 5.295 ( 1.787 -2.407 -3.111) 4.321 5.511 ( 1.137 -2.216 -0.420) 2.526 5.638 ( -5.111 7.097 -1.316) 8.844 5.800 ( 3.787 -7.033 4.156) 9.004 5.890 ( 1.909 -0.586 1.172) 2.316 6.277 ( 0.985 3.270 2.870) 4.461 6.381 ( -5.268 -5.832 -3.741) 8.704 7.742 ( -4.305 5.868 4.479) 8.545 7.838 ( 0.494 3.845 -3.940) 5.528 8.943 ( -0.679 82.090 0.937) 82.098 9.056 ( 0.626 12.690 -0.125) 12.706 9.083 ( -0.464 13.703 -0.556) 13.722 9.239 ( 5.814 70.542 -2.963) 70.843 9.425 ( -0.828 2.206 1.361) 2.721 9.459 ( 1.341 2.876 -0.252) 3.183 10.494 ( -0.004 -90.843 -1.615) 90.858 10.573 ( -3.114 -89.803 2.682) 89.897 12.736 ( -0.581 -0.733 3.477) 3.600 12.814 ( 0.034 -1.169 -0.047) 1.170 12.970 ( 0.076 -2.841 -0.530) 2.891 13.033 ( 1.370 -4.893 -1.848) 5.407 15.975 ( 1.101 1.566 1.284) 2.305 16.006 ( 0.335 0.415 -1.240) 1.350 16.483 ( -1.596 0.338 3.029) 3.440 16.552 ( 1.776 2.013 -3.611) 4.500 17.743 ( -0.316 11.839 0.557) 11.856 17.836 ( 1.861 8.521 -0.969) 8.776 18.400 ( -0.932 -0.427 -0.076) 1.028 18.402 ( -1.024 0.075 0.267) 1.061 18.817 ( -1.273 0.367 1.915) 2.329 18.881 ( 1.609 -2.465 -1.341) 3.235 19.060 ( -1.452 -6.089 1.093) 6.354 19.172 ( 0.719 -4.889 -1.443) 5.148 21.737 ( -0.122 -0.454 0.381) 0.605 21.765 ( 0.226 -0.561 -0.632) 0.875 24.094 ( -5.508 8.260 7.463) 12.420 24.369 ( 12.263 2.280 -9.904) 15.927 26.758 ( -1.330 0.535 4.008) 4.256 27.247 ( 2.648 -1.412 -1.372) 3.300 27.607 ( -1.742 -0.077 5.505) 5.775 27.696 ( -3.333 -0.769 -6.892) 7.694 31.460 ( -0.649 4.969 -0.326) 5.022 31.501 ( -1.182 4.836 0.359) 4.991 33.738 ( -5.822 0.274 7.091) 9.180 34.063 ( 11.504 -3.803 -8.876) 15.020 ======================= Grid point 170 (77/115) ======================= q-point: (-0.33 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.524 ( -5.933 13.710 0.340) 14.943 1.693 ( 2.196 -7.284 1.806) 7.819 2.001 ( -6.870 3.290 4.382) 8.788 2.027 ( 2.497 7.623 -0.895) 8.071 2.253 ( -11.836 -0.738 10.361) 15.747 2.403 ( 3.010 13.419 -2.956) 14.067 2.465 ( 0.931 12.629 -4.647) 13.489 2.675 ( -9.025 5.247 -4.965) 11.561 2.832 ( 2.773 -0.574 4.655) 5.449 2.995 ( 1.283 1.677 4.910) 5.345 3.015 ( -1.454 -2.063 -0.257) 2.537 3.173 ( -7.265 -0.767 -2.755) 7.808 3.428 ( 8.293 -1.304 3.739) 9.190 3.445 ( -1.059 4.922 -2.192) 5.491 3.619 ( -6.901 6.237 1.497) 9.422 3.743 ( -0.948 4.822 -1.109) 5.038 3.912 ( -0.183 6.909 1.994) 7.193 4.056 ( 7.535 0.102 8.722) 11.526 4.135 ( 3.671 -1.431 7.263) 8.263 4.341 ( -0.332 -5.186 0.160) 5.199 4.457 ( -0.306 8.040 2.090) 8.313 4.548 ( -3.222 -1.422 0.661) 3.583 4.652 ( 3.625 -0.336 -5.174) 6.327 4.805 ( -1.904 1.820 -6.211) 6.746 4.963 ( -0.708 3.373 -2.294) 4.140 5.057 ( 1.798 -1.423 -2.355) 3.287 5.153 ( 3.518 -1.902 -2.795) 4.879 5.302 ( 0.371 0.286 -5.739) 5.758 5.446 ( -0.034 4.191 -2.352) 4.806 5.606 ( -0.595 -3.209 -1.191) 3.474 5.925 ( 4.862 -1.320 2.628) 5.682 6.007 ( 2.379 -5.672 5.048) 7.957 6.283 ( -0.558 -1.488 4.239) 4.528 6.355 ( -8.960 -2.749 -1.799) 9.544 7.202 ( -2.429 71.910 3.762) 72.049 7.613 ( 2.226 40.112 -5.532) 40.552 7.903 ( -2.652 22.466 -1.993) 22.710 8.184 ( -3.050 34.665 -1.029) 34.814 8.997 ( -0.289 5.856 -0.063) 5.864 9.031 ( -0.977 5.565 0.123) 5.651 9.373 ( -0.756 4.610 2.746) 5.419 9.433 ( 1.740 2.986 -0.166) 3.460 11.851 ( 0.684 -84.243 -1.502) 84.259 11.909 ( -2.387 -83.942 1.414) 83.988 12.789 ( -0.097 -2.910 5.265) 6.016 12.869 ( 0.375 -4.870 1.588) 5.136 13.061 ( 1.636 -8.565 -1.447) 8.839 13.152 ( 2.009 -9.446 -2.508) 9.977 15.965 ( 2.342 3.078 1.121) 4.027 15.989 ( 1.553 2.165 -0.999) 2.845 16.463 ( -1.197 2.370 2.685) 3.776 16.505 ( 1.750 3.893 -2.871) 5.144 17.438 ( 0.151 27.005 1.884) 27.071 17.604 ( 4.058 24.018 -2.881) 24.528 18.374 ( -3.161 0.236 0.031) 3.169 18.385 ( -3.053 -0.216 -0.976) 3.213 18.832 ( -0.999 -2.490 2.876) 3.933 18.936 ( 1.632 -3.466 -1.609) 4.155 19.205 ( -1.134 -12.640 0.782) 12.715 19.295 ( 0.350 -10.228 -1.141) 10.298 21.753 ( 0.027 -1.183 0.631) 1.341 21.779 ( 0.642 -1.393 -1.160) 1.923 23.879 ( -3.124 18.405 6.349) 19.718 24.316 ( 17.109 16.623 -16.368) 28.930 26.823 ( 5.568 -1.190 9.823) 11.354 27.244 ( 3.085 2.277 -7.209) 8.165 27.635 ( -10.807 -5.596 -4.893) 13.117 27.645 ( -4.593 -4.072 8.613) 10.576 31.304 ( -1.581 12.416 -0.439) 12.524 31.350 ( -3.029 11.313 0.493) 11.722 33.741 ( -3.943 -1.877 6.552) 7.874 34.186 ( 15.106 -0.500 -14.455) 20.914 ======================= Grid point 171 (78/115) ======================= q-point: (-0.22 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.267 ( -6.421 14.267 9.972) 18.553 1.779 ( -6.983 1.821 7.251) 10.230 1.847 ( 3.438 18.545 -6.613) 19.987 1.930 ( -4.951 -4.228 8.585) 10.775 2.094 ( -8.975 12.541 2.869) 15.686 2.224 ( -2.865 6.754 -13.273) 15.165 2.291 ( 0.298 9.389 0.760) 9.425 2.479 ( -4.859 3.727 -0.934) 6.195 2.839 ( 2.178 11.180 3.751) 11.992 2.907 ( -1.131 1.600 7.213) 7.474 3.107 ( -0.844 6.398 3.522) 7.352 3.126 ( 2.639 -0.662 1.351) 3.038 3.327 ( -3.001 9.976 3.275) 10.920 3.435 ( -3.376 5.977 2.554) 7.324 3.534 ( 3.758 0.193 2.258) 4.388 3.616 ( -3.231 7.155 -2.485) 8.234 3.727 ( -4.648 13.209 7.550) 15.908 4.129 ( 1.235 2.296 8.393) 8.788 4.239 ( 2.382 -0.125 6.626) 7.042 4.337 ( 0.575 7.610 -2.086) 7.911 4.447 ( -0.600 -4.912 -5.041) 7.064 4.500 ( -2.428 3.227 -0.547) 4.075 4.616 ( 4.979 2.577 -13.847) 14.939 4.757 ( -0.159 1.019 -2.944) 3.119 4.924 ( 2.562 0.124 -0.095) 2.567 5.058 ( 2.723 0.806 -8.028) 8.516 5.200 ( 3.880 1.359 0.634) 4.160 5.285 ( 2.902 -0.202 -3.013) 4.188 5.402 ( -0.287 1.418 -1.545) 2.116 5.618 ( -0.556 -0.185 -5.713) 5.743 5.959 ( 2.624 24.729 -2.054) 24.953 5.977 ( 4.445 22.940 3.008) 23.560 6.175 ( 0.685 12.479 2.212) 12.692 6.240 ( -3.086 13.361 3.609) 14.180 6.436 ( 3.169 -6.161 12.000) 13.856 6.984 ( 3.820 20.043 -9.676) 22.582 7.750 ( -10.118 -0.439 0.703) 10.152 7.884 ( -13.795 2.813 0.218) 14.081 8.895 ( -1.040 6.114 0.110) 6.202 8.933 ( -1.059 5.373 0.005) 5.476 9.312 ( -0.751 4.510 4.709) 6.563 9.417 ( 2.636 1.230 -0.335) 2.928 12.848 ( -0.704 -8.507 6.200) 10.550 12.922 ( 1.495 -12.668 1.697) 12.869 12.995 ( 1.307 -46.799 -2.509) 46.884 13.103 ( -0.299 -54.865 -1.308) 54.881 13.273 ( 2.849 -18.191 -1.399) 18.466 13.354 ( -0.273 -27.036 -0.187) 27.038 15.946 ( 2.822 3.646 0.840) 4.686 15.964 ( 2.188 3.042 -0.635) 3.801 16.420 ( -0.924 3.341 1.921) 3.963 16.443 ( 1.553 4.513 -2.039) 5.190 16.977 ( 0.080 34.079 2.737) 34.189 17.166 ( 4.639 35.603 -5.850) 36.377 18.329 ( -4.331 0.246 -0.615) 4.382 18.336 ( -4.150 0.262 -0.708) 4.218 18.911 ( -0.419 -6.143 4.287) 7.502 19.002 ( 1.557 -3.903 -1.381) 4.423 19.398 ( -0.546 -12.412 0.409) 12.431 19.453 ( -0.085 -10.247 -0.828) 10.281 21.775 ( 0.160 -1.011 0.677) 1.227 21.812 ( 1.310 -2.270 -1.644) 3.094 23.556 ( -1.949 23.583 5.490) 24.292 23.997 ( 15.203 33.764 -23.134) 43.661 27.029 ( 16.476 -1.165 11.625) 20.198 27.188 ( 3.556 3.481 -6.614) 8.277 27.585 ( -19.207 -12.803 -2.932) 23.269 27.721 ( -5.621 -6.082 8.175) 11.637 31.076 ( -1.477 13.623 -0.300) 13.707 31.127 ( -3.629 12.280 0.381) 12.811 33.767 ( -2.575 -1.115 5.412) 6.096 34.175 ( 12.369 10.178 -19.366) 25.132 ======================= Grid point 172 (79/115) ======================= q-point: (-0.11 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.077 ( -7.008 11.409 21.365) 25.214 1.369 ( 2.847 42.222 4.283) 42.534 1.668 ( -5.619 15.197 -6.933) 17.623 1.853 ( -8.471 -0.941 14.133) 16.504 1.934 ( -7.682 5.331 -18.248) 20.504 2.056 ( 2.233 -2.967 -3.440) 5.062 2.167 ( -1.856 9.345 13.861) 16.820 2.466 ( 1.059 -1.934 1.659) 2.759 2.679 ( 1.380 13.348 7.538) 15.391 2.877 ( 3.077 21.526 6.835) 22.793 2.938 ( 2.556 1.171 5.041) 5.772 3.092 ( -1.273 4.292 -0.777) 4.544 3.224 ( -2.959 9.887 -1.918) 10.497 3.382 ( -4.346 -1.533 8.570) 9.730 3.440 ( -1.238 5.926 -6.290) 8.730 3.566 ( -0.629 3.816 0.683) 3.928 3.585 ( 4.319 2.659 1.588) 5.314 3.943 ( -5.748 19.902 -4.546) 21.208 4.187 ( -4.047 -1.354 4.919) 6.512 4.304 ( 3.878 3.282 -1.984) 5.454 4.409 ( -2.664 -4.011 2.218) 5.301 4.520 ( 2.656 -1.010 -2.204) 3.596 4.605 ( 1.864 -0.203 -2.736) 3.316 4.716 ( 2.662 -0.364 -8.241) 8.668 4.901 ( 1.990 5.408 -6.193) 8.459 5.012 ( 1.530 2.792 -9.009) 9.555 5.231 ( 0.747 0.887 4.776) 4.914 5.302 ( 3.780 1.344 2.843) 4.917 5.371 ( -0.353 -0.178 -3.473) 3.496 5.448 ( 2.484 10.013 -3.027) 10.752 5.659 ( 0.012 2.486 -3.599) 4.374 5.752 ( -0.854 14.457 -2.028) 14.623 6.163 ( 1.390 0.194 -0.803) 1.617 6.180 ( 0.793 0.442 -2.172) 2.354 6.703 ( 12.650 -7.231 13.196) 19.658 7.053 ( 6.965 -15.683 1.175) 17.201 7.643 ( -13.822 -1.415 0.315) 13.898 7.697 ( -16.377 0.690 -0.906) 16.416 8.806 ( -0.556 3.985 0.779) 4.099 8.853 ( -1.214 3.200 -0.189) 3.428 9.284 ( -0.936 2.152 7.074) 7.453 9.458 ( 3.369 -3.127 -3.651) 5.870 12.926 ( -1.529 -1.880 7.010) 7.417 13.009 ( 1.697 -0.891 1.013) 2.167 13.299 ( 3.416 -7.587 -3.119) 8.886 13.402 ( 0.423 -6.876 -5.453) 8.786 14.017 ( 2.579 -46.761 0.304) 46.833 14.088 ( -3.453 -47.663 0.993) 47.798 15.927 ( 2.628 3.008 0.507) 4.027 15.942 ( 2.009 2.236 -0.207) 3.013 16.367 ( -0.901 3.668 1.237) 3.975 16.379 ( 1.500 6.663 -1.119) 6.921 16.475 ( -0.634 27.995 2.003) 28.074 16.584 ( 1.553 36.523 -5.491) 36.966 18.275 ( -2.964 0.442 -0.172) 3.002 18.294 ( -2.907 0.219 0.048) 2.916 19.046 ( 0.316 -7.306 2.290) 7.663 19.069 ( 1.149 -3.442 -0.282) 3.640 19.557 ( -0.162 -7.863 0.661) 7.892 19.587 ( -0.375 -7.652 -0.566) 7.682 21.799 ( 0.430 -1.130 1.069) 1.614 21.843 ( 1.169 -0.907 -1.884) 2.396 23.218 ( -1.866 19.093 3.140) 19.439 23.399 ( 4.894 37.805 -13.990) 40.606 27.152 ( 5.175 2.120 -3.823) 6.774 27.226 ( 6.975 2.990 1.532) 7.742 27.666 ( -4.198 -16.847 1.540) 17.430 27.785 ( -7.390 -5.198 6.488) 11.123 30.888 ( -0.153 8.648 0.081) 8.650 30.930 ( -3.161 7.937 0.037) 8.543 33.770 ( -1.908 0.795 3.162) 3.778 33.936 ( 3.458 16.426 -11.569) 20.386 ======================= Grid point 174 (80/115) ======================= q-point: ( 0.11 0.11 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 115 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.040 ( -1.175 -0.000 -11.485) 11.545 1.415 ( 10.507 0.000 -8.316) 13.400 1.474 ( 9.521 0.000 -2.622) 9.876 1.640 ( 13.875 0.000 23.241) 27.068 1.946 ( -6.076 -0.000 2.983) 6.769 1.998 ( -3.865 -0.000 -6.177) 7.287 2.520 ( 1.651 0.000 0.931) 1.895 2.558 ( 7.602 0.000 -5.409) 9.330 2.668 ( 2.887 0.000 -0.383) 2.913 2.707 ( 9.107 0.000 -16.101) 18.498 2.976 ( 2.616 0.000 10.983) 11.291 3.090 ( 2.067 0.000 -8.883) 9.121 3.105 ( 3.205 0.000 2.421) 4.016 3.196 ( -0.343 -0.000 10.129) 10.135 3.434 ( -3.864 -0.000 5.277) 6.540 3.579 ( 0.028 0.000 -5.388) 5.388 3.698 ( 9.227 0.000 -10.321) 13.844 3.822 ( 8.623 0.000 4.310) 9.640 4.112 ( -5.816 -0.000 6.446) 8.682 4.377 ( -6.368 -0.000 -4.880) 8.023 4.392 ( -7.011 -0.000 4.320) 8.235 4.402 ( 1.763 0.000 -3.611) 4.018 4.580 ( 1.033 0.000 4.287) 4.409 4.734 ( -7.082 -0.000 1.846) 7.319 4.835 ( -2.808 -0.000 5.701) 6.355 4.909 ( 11.491 0.000 -15.156) 19.020 5.191 ( -9.642 -0.000 4.326) 10.568 5.257 ( -7.405 -0.000 -2.013) 7.674 5.300 ( -2.269 -0.000 5.769) 6.199 5.323 ( -0.766 -0.000 -3.584) 3.665 5.594 ( 1.078 0.000 4.199) 4.335 5.637 ( 1.428 0.000 1.462) 2.044 5.941 ( -11.598 -0.000 8.408) 14.325 6.241 ( 1.693 0.000 -2.463) 2.989 6.834 ( -7.418 -0.000 -13.006) 14.973 6.995 ( -14.946 -0.000 4.075) 15.491 7.867 ( 13.312 0.000 -1.850) 13.440 7.897 ( 24.939 0.000 5.339) 25.504 8.798 ( 1.478 0.000 -0.577) 1.587 8.849 ( 1.768 0.000 -0.604) 1.868 9.341 ( -3.774 -0.000 7.141) 8.077 9.398 ( -0.748 -0.000 -7.748) 7.784 12.963 ( -2.371 -0.000 3.984) 4.636 13.055 ( 1.841 0.000 -5.163) 5.481 13.308 ( -4.513 -0.000 -2.764) 5.292 13.359 ( -2.888 -0.000 4.118) 5.029 14.407 ( -1.769 -0.000 -0.468) 1.830 14.554 ( 4.306 0.000 0.242) 4.313 15.840 ( -5.685 -0.000 -0.420) 5.701 15.873 ( -5.149 -0.000 0.235) 5.154 16.182 ( 0.535 0.000 1.459) 1.554 16.232 ( 1.579 0.000 -2.314) 2.802 16.329 ( -1.536 -0.000 1.784) 2.354 16.400 ( 1.737 0.000 -0.904) 1.958 18.311 ( 4.443 0.000 0.165) 4.446 18.350 ( 5.757 0.000 -1.508) 5.951 19.063 ( -2.938 -0.000 0.516) 2.984 19.103 ( -1.479 -0.000 0.369) 1.525 19.639 ( 0.335 0.000 -0.761) 0.831 19.646 ( 0.556 0.000 0.730) 0.917 21.810 ( -1.351 -0.000 1.104) 1.745 21.820 ( -1.418 -0.000 -1.329) 1.944 23.033 ( -0.425 -0.000 0.789) 0.896 23.101 ( 2.718 0.000 -0.732) 2.814 26.980 ( -7.870 -0.000 7.475) 10.854 27.156 ( -9.677 -0.000 -4.648) 10.735 27.769 ( 5.908 0.000 7.471) 9.524 28.059 ( 8.675 0.000 -11.050) 14.048 30.831 ( 1.404 0.000 -0.327) 1.442 30.913 ( 5.253 0.000 0.308) 5.263 33.761 ( 0.408 0.000 1.294) 1.357 33.811 ( 2.844 0.000 -1.305) 3.129 ======================= Grid point 175 (81/115) ======================= q-point: ( 0.22 0.11 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.323 ( -1.076 -20.021 -2.306) 20.182 1.482 ( 11.541 -11.985 -13.307) 21.305 1.708 ( 2.155 -6.822 4.430) 8.415 1.899 ( 1.586 -3.961 8.645) 9.640 1.938 ( 3.836 -4.774 11.230) 12.791 2.035 ( -0.969 -10.835 -1.410) 10.969 2.497 ( 1.950 0.428 0.070) 1.998 2.590 ( 6.833 -3.488 -8.036) 11.110 2.779 ( 7.440 -6.488 -18.800) 21.234 2.924 ( 2.743 -24.884 -11.042) 27.361 3.045 ( 7.790 -0.454 -5.116) 9.331 3.163 ( 7.256 0.599 2.645) 7.746 3.196 ( -0.461 -3.024 10.416) 10.856 3.370 ( 2.306 -9.140 0.501) 9.440 3.444 ( 0.996 -6.011 7.657) 9.786 3.592 ( -0.429 -5.425 -8.824) 10.368 3.777 ( 10.094 -4.849 -5.082) 12.297 4.039 ( 5.740 -13.803 3.401) 15.331 4.087 ( -5.956 -1.029 7.403) 9.558 4.261 ( -6.230 1.276 -1.692) 6.580 4.327 ( -6.078 2.301 -1.503) 6.671 4.357 ( -5.807 0.543 6.323) 8.602 4.606 ( 4.164 1.509 0.305) 4.439 4.737 ( -8.375 -7.381 8.641) 14.116 4.835 ( -5.105 0.319 5.154) 7.261 4.936 ( 5.581 -1.895 -12.993) 14.267 5.103 ( -7.034 0.807 1.037) 7.155 5.274 ( -3.341 -7.425 -2.317) 8.466 5.280 ( -3.834 -0.796 4.676) 6.099 5.370 ( -0.653 -11.332 1.726) 11.481 5.640 ( 2.396 -1.499 3.426) 4.442 5.760 ( 2.126 -11.050 0.888) 11.288 5.909 ( -6.569 -5.428 7.166) 11.134 6.239 ( -0.523 -0.875 -3.362) 3.513 6.659 ( -4.488 4.314 -13.332) 14.713 6.827 ( -9.984 5.915 5.838) 12.991 7.945 ( 10.374 4.635 -0.812) 11.391 8.121 ( 20.221 5.537 2.475) 21.111 8.837 ( 1.047 -2.691 -0.045) 2.888 8.877 ( 0.298 -3.112 -0.490) 3.164 9.333 ( -3.841 -0.802 3.870) 5.511 9.356 ( -0.474 -1.128 -5.548) 5.681 12.946 ( -2.501 1.836 2.974) 4.297 13.021 ( 0.488 1.813 -6.825) 7.079 13.199 ( -4.766 5.761 -1.245) 7.580 13.307 ( -3.546 5.624 5.141) 8.404 13.975 ( -1.187 48.103 0.247) 48.119 14.172 ( 3.513 48.106 -0.653) 48.239 15.848 ( -4.509 -5.613 -0.826) 7.247 15.861 ( -4.434 -3.984 0.668) 5.999 16.330 ( -1.707 -3.170 1.060) 3.753 16.402 ( 0.864 -8.832 -1.752) 9.046 16.498 ( 0.386 -28.615 0.018) 28.618 16.532 ( -0.221 -27.639 1.110) 27.662 18.367 ( 5.229 0.346 1.231) 5.383 18.398 ( 5.595 0.738 -1.325) 5.796 19.011 ( -2.582 3.048 1.198) 4.171 19.045 ( -1.594 4.398 -1.166) 4.821 19.571 ( 0.498 8.378 -0.463) 8.406 19.593 ( 0.586 7.540 0.386) 7.573 21.787 ( -1.166 0.746 -0.061) 1.385 21.803 ( -1.197 0.459 0.097) 1.285 23.228 ( -2.721 -22.778 4.720) 23.421 23.295 ( 2.177 -20.210 -3.168) 20.572 26.958 ( -7.499 -0.046 5.588) 9.352 27.017 ( -9.596 -2.342 -4.035) 10.670 27.837 ( 9.189 7.777 7.879) 14.387 28.024 ( 5.674 4.987 -11.138) 13.458 30.919 ( 2.472 -8.444 0.050) 8.799 31.032 ( 5.955 -7.019 -0.120) 9.206 33.810 ( -1.113 -3.744 3.856) 5.488 33.857 ( 2.843 -2.397 -2.672) 4.579 ======================= Grid point 176 (82/115) ======================= q-point: ( 0.33 0.11 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.435 ( 2.622 -4.641 0.358) 5.343 1.705 ( -4.461 1.258 2.957) 5.498 1.831 ( 5.516 -15.757 -2.553) 16.889 2.014 ( 1.476 -4.044 0.745) 4.369 2.125 ( -0.605 -8.494 6.460) 10.688 2.209 ( -1.313 -12.266 1.458) 12.422 2.562 ( 4.449 -0.005 1.571) 4.718 2.728 ( 6.258 -9.323 -4.606) 12.136 2.831 ( 6.230 -3.713 -14.472) 16.187 3.088 ( -0.876 5.846 -3.828) 7.042 3.110 ( 8.868 -1.391 -4.091) 9.865 3.169 ( 3.318 -3.467 0.663) 4.844 3.337 ( 4.903 -1.560 6.377) 8.194 3.483 ( -2.678 2.325 -4.069) 5.397 3.603 ( 7.385 -10.848 -6.071) 14.459 3.665 ( 1.639 -4.745 3.297) 6.006 3.938 ( 5.533 -3.166 -5.400) 8.355 4.084 ( -10.277 2.367 -3.699) 11.176 4.186 ( -5.061 -3.120 -8.887) 10.693 4.202 ( -5.564 -18.266 0.922) 19.117 4.297 ( -4.159 -1.936 8.719) 9.853 4.488 ( 3.165 -9.311 11.288) 14.971 4.634 ( 5.421 1.869 0.146) 5.736 4.742 ( -4.870 2.515 1.296) 5.632 4.864 ( -3.960 -6.485 11.308) 13.624 4.969 ( 1.339 -6.167 -7.626) 9.899 5.076 ( 0.356 -1.169 -0.073) 1.224 5.240 ( -1.694 1.050 2.027) 2.843 5.326 ( -3.789 -1.891 5.638) 7.051 5.612 ( 3.044 -1.921 3.054) 4.720 5.850 ( -3.650 -5.894 1.543) 7.103 5.968 ( 3.042 -27.850 2.386) 28.117 6.191 ( -1.627 -29.369 -5.148) 29.862 6.322 ( 1.149 -28.508 -2.182) 28.614 6.462 ( -4.966 3.349 -12.690) 14.033 6.753 ( -7.916 -9.471 11.431) 16.824 7.956 ( 7.240 5.579 0.404) 9.149 8.218 ( 14.964 5.805 -1.168) 16.093 8.899 ( -0.966 -5.704 -0.138) 5.787 8.945 ( -0.506 -5.828 -0.140) 5.851 9.347 ( -2.187 -3.343 1.437) 4.246 9.365 ( 0.060 -3.417 -3.445) 4.853 12.863 ( -2.780 11.655 2.459) 12.232 12.914 ( -0.176 16.295 -6.232) 17.447 12.969 ( -0.848 31.941 -0.769) 31.961 13.094 ( -0.197 47.411 1.521) 47.435 13.170 ( -4.021 11.057 2.839) 12.103 13.364 ( 0.156 45.431 -0.784) 45.438 15.881 ( -3.675 -5.252 -0.866) 6.468 15.893 ( -3.335 -4.708 0.747) 5.818 16.373 ( -1.819 -3.779 2.177) 4.725 16.480 ( 1.482 -4.142 -2.631) 5.125 16.997 ( 0.045 -33.072 -1.274) 33.097 17.054 ( -1.937 -35.104 2.301) 35.232 18.416 ( 4.138 1.216 1.686) 4.631 18.431 ( 4.593 1.500 -0.608) 4.870 18.938 ( -1.231 4.063 -0.059) 4.246 18.952 ( -1.043 4.262 -0.732) 4.449 19.409 ( 0.272 12.591 0.369) 12.600 19.454 ( 0.278 10.571 -0.271) 10.578 21.770 ( -0.803 0.829 1.021) 1.541 21.778 ( -0.580 0.931 -0.651) 1.275 23.616 ( -7.105 -26.605 8.700) 28.879 23.656 ( 2.369 -25.262 -5.274) 25.915 26.837 ( -9.165 0.123 -3.949) 9.980 27.043 ( -2.852 -4.336 6.925) 8.654 27.823 ( 7.920 10.323 4.869) 13.892 27.926 ( 4.064 6.091 -10.489) 12.792 31.119 ( 2.586 -12.871 0.436) 13.135 31.231 ( 5.322 -10.405 -0.511) 11.698 33.843 ( -3.074 -0.416 3.141) 4.414 33.909 ( 1.385 -2.283 -0.468) 2.711 ======================= Grid point 177 (83/115) ======================= q-point: ( 0.44 0.11 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.508 ( -3.426 -0.728 7.370) 8.160 1.736 ( 4.113 -4.679 1.913) 6.517 1.995 ( 1.176 -3.807 -2.505) 4.706 2.062 ( 3.112 -1.072 -2.453) 4.105 2.308 ( -2.481 -14.424 0.990) 14.669 2.405 ( -1.725 -13.871 1.808) 14.094 2.537 ( -0.676 6.650 0.940) 6.750 2.807 ( -3.751 -2.616 -3.377) 5.684 2.922 ( 6.434 -0.577 -1.410) 6.612 2.965 ( 3.707 6.065 -7.664) 10.453 3.149 ( 3.082 4.067 4.005) 6.487 3.297 ( -0.637 -1.003 -3.174) 3.389 3.354 ( 7.638 -2.699 -3.045) 8.655 3.457 ( 3.999 -1.277 2.031) 4.663 3.673 ( -2.842 0.402 3.897) 4.840 3.772 ( 2.461 -1.034 -0.664) 2.750 3.895 ( -3.169 4.551 -2.819) 6.221 3.980 ( -1.735 -3.304 -2.786) 4.658 4.122 ( -2.740 0.576 -3.576) 4.542 4.311 ( -1.213 -4.205 1.114) 4.516 4.441 ( -1.072 -8.109 -3.055) 8.731 4.573 ( -2.132 -0.018 -0.297) 2.153 4.631 ( 1.412 -1.887 -2.258) 3.264 4.802 ( 3.104 -1.843 9.178) 9.862 4.959 ( -0.937 -2.850 3.977) 4.982 5.040 ( 0.303 -4.580 -3.445) 5.738 5.101 ( 2.590 1.024 0.530) 2.835 5.263 ( 1.453 -0.624 3.262) 3.625 5.366 ( -2.458 -5.550 6.882) 9.176 5.650 ( 3.386 0.498 0.246) 3.431 5.846 ( -2.890 1.873 1.150) 3.631 5.970 ( -5.207 4.822 -4.911) 8.631 6.298 ( -3.576 1.193 -6.515) 7.527 6.450 ( 1.582 5.203 5.572) 7.786 7.254 ( 0.863 -70.516 0.498) 70.523 7.497 ( -3.299 -75.745 0.591) 75.819 7.972 ( 3.919 -4.644 1.824) 6.345 8.314 ( 7.059 -10.066 -2.283) 12.505 8.984 ( -1.441 -6.541 0.129) 6.699 9.031 ( -1.157 -6.070 -0.202) 6.182 9.394 ( -1.086 -3.666 0.830) 3.913 9.410 ( 0.449 -3.749 -2.013) 4.279 11.825 ( -0.407 84.110 1.296) 84.121 12.000 ( 4.248 81.827 -2.602) 81.979 12.803 ( -1.757 4.789 0.811) 5.165 12.866 ( -0.677 4.462 -2.786) 5.304 13.007 ( -2.835 3.905 -0.489) 4.851 13.074 ( -2.857 8.096 2.462) 8.931 15.921 ( -2.483 -4.894 -0.915) 5.563 15.938 ( -2.085 -4.211 0.851) 4.776 16.427 ( -1.738 -3.541 2.958) 4.931 16.534 ( 1.589 -2.898 -3.282) 4.658 17.455 ( 0.372 -26.050 -0.650) 26.061 17.525 ( -1.427 -26.326 1.043) 26.385 18.431 ( 2.099 2.222 0.976) 3.209 18.443 ( 3.050 2.145 0.021) 3.728 18.874 ( -0.153 2.765 -0.504) 2.814 18.887 ( -0.644 2.785 -0.110) 2.860 19.214 ( -0.241 12.748 1.431) 12.831 19.290 ( -0.011 9.972 -1.012) 10.024 21.747 ( -0.610 1.118 0.587) 1.402 21.766 ( -0.065 0.285 -0.280) 0.404 23.934 ( -8.017 -18.234 8.470) 21.645 24.027 ( 4.621 -21.826 -6.536) 23.247 26.750 ( -5.171 -0.659 -0.405) 5.229 27.130 ( -1.543 -5.083 5.159) 7.405 27.757 ( 4.249 9.363 2.961) 10.700 27.811 ( 2.429 5.998 -9.271) 11.306 31.338 ( 1.821 -11.110 0.501) 11.269 31.429 ( 3.526 -8.463 -0.611) 9.189 33.803 ( -5.183 2.532 5.167) 7.744 33.955 ( 3.993 -2.336 -3.695) 5.921 ======================= Grid point 178 (84/115) ======================= q-point: (-0.44 0.11 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.531 ( -2.476 -2.791 6.588) 7.571 1.814 ( 1.030 3.013 -0.804) 3.284 2.003 ( 0.504 -0.672 -2.257) 2.408 2.134 ( 6.477 -2.550 -1.107) 7.048 2.369 ( -6.718 10.056 8.682) 14.888 2.481 ( -5.882 -11.123 -2.690) 12.867 2.624 ( -0.908 -14.192 2.776) 14.490 2.756 ( -0.827 3.701 -3.367) 5.071 2.840 ( 0.572 7.677 -3.067) 8.286 2.940 ( 5.718 3.258 -5.681) 8.694 3.098 ( -1.460 5.113 1.151) 5.441 3.230 ( -4.987 2.255 1.973) 5.818 3.434 ( 1.696 2.759 -0.455) 3.271 3.585 ( 8.246 -5.394 -0.603) 9.872 3.669 ( -5.232 4.036 0.234) 6.611 3.769 ( 5.023 -6.531 2.788) 8.698 3.884 ( 6.005 0.616 -2.978) 6.731 3.992 ( -2.136 -0.003 0.622) 2.225 4.096 ( -0.235 -1.950 1.893) 2.728 4.350 ( 3.030 1.283 -2.750) 4.288 4.438 ( -2.488 -1.384 -0.673) 2.925 4.588 ( -5.584 -4.153 -0.995) 7.030 4.670 ( 2.082 -1.822 -2.120) 3.486 4.853 ( 1.974 4.117 4.357) 6.311 4.993 ( -0.082 -1.900 1.844) 2.648 5.055 ( -2.462 -0.536 -2.347) 3.443 5.116 ( 1.597 0.903 2.450) 3.060 5.286 ( 1.861 0.268 -0.177) 1.889 5.486 ( 0.925 -3.427 3.049) 4.680 5.697 ( -2.335 5.526 -0.059) 5.999 5.740 ( -0.230 -3.991 0.653) 4.051 5.872 ( -1.028 -1.232 -2.982) 3.386 6.252 ( -3.558 -2.165 -2.938) 5.097 6.377 ( -1.658 6.774 5.216) 8.709 7.785 ( -0.066 0.029 3.808) 3.809 7.902 ( 4.930 0.952 -5.178) 7.213 8.972 ( 0.942 -83.579 -0.786) 83.588 9.022 ( -0.998 -36.297 1.335) 36.335 9.074 ( -0.804 -16.787 0.816) 16.826 9.120 ( -4.266 -44.072 -0.623) 44.282 9.433 ( -0.622 -1.756 0.914) 2.075 9.454 ( 0.726 -1.954 -0.932) 2.283 10.477 ( -0.025 89.635 1.682) 89.651 10.696 ( 4.758 89.315 -4.638) 89.562 12.749 ( -0.843 1.401 2.590) 3.063 12.810 ( 0.092 0.616 -1.850) 1.952 12.951 ( -1.929 1.411 1.250) 2.697 12.984 ( -1.317 0.189 -0.558) 1.443 15.963 ( -0.964 -3.509 -0.809) 3.728 15.982 ( -0.688 -2.719 0.879) 2.939 16.472 ( -1.575 -1.988 3.468) 4.297 16.561 ( 1.836 -0.664 -3.470) 3.982 17.759 ( 0.944 -11.005 0.579) 11.060 17.818 ( 0.323 -11.750 -0.504) 11.765 18.407 ( 0.090 2.492 -0.023) 2.494 18.428 ( 1.058 2.672 0.122) 2.876 18.832 ( -1.448 2.076 1.421) 2.903 18.865 ( 1.263 -0.290 -1.832) 2.244 19.060 ( -0.991 6.570 2.357) 7.050 19.163 ( 0.007 4.440 -1.635) 4.731 21.735 ( -0.278 0.175 0.510) 0.607 21.760 ( -0.045 0.119 -0.320) 0.344 24.092 ( -5.966 -6.179 7.489) 11.396 24.328 ( 8.100 -13.792 -9.566) 18.637 26.748 ( -1.730 -2.475 4.937) 5.788 27.209 ( -0.378 -4.375 -0.301) 4.402 27.669 ( -0.492 6.839 2.453) 7.282 27.690 ( 0.252 5.764 -5.699) 8.109 31.471 ( 0.649 -3.413 0.248) 3.483 31.530 ( 1.026 -1.204 -0.420) 1.636 33.738 ( -5.316 2.199 7.276) 9.276 34.043 ( 8.333 -5.420 -9.171) 13.525 ======================= Grid point 179 (85/115) ======================= q-point: (-0.33 0.11 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.613 ( -3.110 -4.056 6.320) 8.128 1.699 ( 4.407 8.634 -3.871) 10.438 1.976 ( -5.218 2.422 0.582) 5.782 2.186 ( -1.131 8.383 7.439) 11.265 2.237 ( -1.690 0.647 7.934) 8.138 2.456 ( -8.296 1.238 -9.378) 12.582 2.624 ( -0.714 8.923 -3.552) 9.630 2.705 ( 1.264 8.697 -0.808) 8.826 2.845 ( 0.723 -9.005 3.592) 9.722 2.956 ( 7.101 -2.148 -5.667) 9.336 3.037 ( -1.953 -0.244 -0.183) 1.977 3.105 ( -6.862 5.113 3.912) 9.409 3.463 ( 1.192 -0.102 -2.275) 2.570 3.539 ( 3.084 3.276 1.621) 4.782 3.681 ( 1.068 5.786 0.706) 5.926 3.790 ( -2.304 4.338 -0.039) 4.912 3.958 ( 3.648 -2.207 -0.503) 4.293 4.103 ( 3.959 -7.789 5.140) 10.137 4.168 ( 0.918 -5.355 5.302) 7.592 4.316 ( 3.659 4.298 -3.042) 6.412 4.463 ( -2.018 -3.861 -0.916) 4.452 4.534 ( -6.733 2.305 2.214) 7.453 4.682 ( 1.507 1.984 -1.522) 2.919 4.819 ( 3.187 2.906 -2.183) 4.834 4.980 ( -3.112 3.324 -1.328) 4.743 5.033 ( 0.106 -1.674 -2.478) 2.993 5.159 ( 3.973 -1.805 2.495) 5.026 5.289 ( 0.058 0.496 -0.314) 0.590 5.489 ( -0.608 2.301 -3.033) 3.855 5.577 ( -1.427 1.895 0.023) 2.373 5.908 ( 3.508 -7.252 1.025) 8.121 5.935 ( 0.243 -8.415 3.673) 9.185 6.223 ( -5.136 -1.182 -1.221) 5.410 6.294 ( -2.954 2.942 3.033) 5.156 7.704 ( -3.795 9.810 4.126) 11.299 7.803 ( 1.329 10.333 -5.251) 11.667 8.956 ( 0.109 78.095 2.531) 78.136 9.058 ( -0.767 3.717 0.556) 3.836 9.064 ( -0.330 18.476 -0.419) 18.483 9.265 ( 2.304 73.059 -7.207) 73.449 9.432 ( -0.335 1.820 1.884) 2.641 9.492 ( 1.804 7.415 -1.363) 7.752 10.489 ( 0.644 -90.781 -0.647) 90.786 10.532 ( -2.343 -90.249 0.849) 90.283 12.772 ( -0.540 -2.346 4.328) 4.952 12.828 ( 1.084 -2.561 0.103) 2.783 12.956 ( -1.299 -4.475 1.090) 4.786 13.027 ( 0.527 -6.455 -2.478) 6.935 15.995 ( 0.437 -1.323 -0.353) 1.437 16.012 ( 0.327 -0.636 0.651) 0.967 16.488 ( -1.494 0.377 3.461) 3.788 16.554 ( 2.090 1.835 -3.230) 4.262 17.772 ( 1.194 11.872 2.105) 12.117 17.867 ( 2.334 6.705 -1.995) 7.375 18.365 ( -1.435 1.909 -0.305) 2.408 18.383 ( -1.133 3.062 -0.413) 3.291 18.811 ( -1.105 -0.493 1.848) 2.208 18.891 ( 1.055 -2.531 -2.322) 3.593 19.052 ( -0.971 -5.482 2.557) 6.126 19.160 ( -0.028 -5.292 -1.806) 5.591 21.740 ( -0.145 -0.697 0.607) 0.935 21.762 ( 0.141 -0.694 -0.595) 0.925 24.083 ( -3.372 6.474 7.894) 10.752 24.482 ( 10.395 -1.514 -16.196) 19.304 26.857 ( 1.301 -6.698 10.660) 12.657 27.244 ( 2.060 -1.611 -6.695) 7.188 27.541 ( -2.950 6.276 -3.440) 7.741 27.612 ( -4.645 1.736 5.280) 7.244 31.447 ( -0.242 6.733 -0.042) 6.738 31.477 ( -1.010 7.433 -0.136) 7.502 33.724 ( -3.644 -0.634 8.897) 9.635 34.174 ( 10.187 -6.636 -16.016) 20.107 ======================= Grid point 180 (86/115) ======================= q-point: (-0.22 0.11 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.519 ( 1.349 13.038 8.161) 15.440 1.752 ( 1.652 -2.714 0.992) 3.329 1.867 ( -7.272 0.413 6.051) 9.469 2.071 ( -6.589 9.104 7.805) 13.682 2.199 ( -0.964 7.715 -0.621) 7.800 2.211 ( -4.825 9.887 -13.436) 17.365 2.467 ( 2.202 10.157 -0.645) 10.413 2.570 ( 2.123 8.922 -0.449) 9.182 2.946 ( 2.454 -0.358 3.039) 3.923 2.970 ( -3.176 5.104 1.906) 6.306 3.072 ( 0.115 -5.169 -0.372) 5.183 3.107 ( 3.096 -7.486 -1.489) 8.236 3.422 ( 0.067 4.026 2.723) 4.861 3.551 ( -1.562 8.052 2.226) 8.499 3.585 ( 3.417 1.709 -1.021) 3.954 3.664 ( -3.717 6.196 -2.054) 7.512 3.966 ( 1.810 7.203 5.413) 9.190 4.209 ( -6.554 -4.666 8.071) 11.396 4.250 ( 0.269 7.168 5.648) 9.130 4.323 ( 1.824 -5.311 -4.851) 7.420 4.422 ( -2.757 3.774 1.901) 5.046 4.508 ( 1.376 -1.442 -1.533) 2.514 4.648 ( 4.182 2.311 -5.606) 7.366 4.794 ( 3.974 4.790 -5.600) 8.372 4.911 ( -3.304 -1.250 1.666) 3.906 5.030 ( 0.512 -1.434 -6.675) 6.846 5.258 ( 2.977 -0.216 4.050) 5.031 5.295 ( 3.242 -0.893 -0.146) 3.366 5.431 ( -1.129 2.851 0.020) 3.066 5.554 ( -0.781 -1.368 -5.508) 5.729 6.038 ( -0.396 -4.350 4.189) 6.052 6.104 ( 1.430 -5.908 2.653) 6.633 6.182 ( 1.545 -0.404 -0.850) 1.809 6.302 ( -4.368 -7.495 3.857) 9.494 7.242 ( -0.683 62.414 8.563) 63.003 7.534 ( -1.400 29.703 -6.804) 30.504 7.871 ( 0.926 36.704 -0.650) 36.722 8.060 ( -3.110 50.696 -7.766) 51.381 8.987 ( -0.388 5.879 0.353) 5.902 9.004 ( -0.981 5.039 -0.059) 5.134 9.396 ( -0.533 3.873 3.334) 5.138 9.462 ( 1.227 2.079 -1.043) 2.630 11.858 ( 1.194 -84.244 -0.843) 84.257 11.874 ( -1.697 -84.249 0.361) 84.267 12.843 ( -1.162 -3.921 5.763) 7.067 12.904 ( 0.751 -5.198 1.637) 5.501 13.075 ( 0.972 -10.439 -0.192) 10.486 13.148 ( 0.775 -10.140 -3.315) 10.696 16.005 ( 0.894 1.071 0.320) 1.431 16.014 ( 0.711 1.320 0.159) 1.507 16.467 ( -1.567 2.570 2.855) 4.148 16.515 ( 2.128 3.822 -2.767) 5.176 17.486 ( 0.719 27.446 3.843) 27.723 17.636 ( 2.452 24.019 -5.060) 24.668 18.315 ( -1.731 2.243 -0.254) 2.845 18.320 ( -1.815 1.919 -0.337) 2.663 18.849 ( -0.732 -3.834 3.298) 5.110 18.937 ( 0.701 -4.231 -2.517) 4.973 19.206 ( -0.201 -12.106 1.973) 12.267 19.279 ( -0.100 -10.599 -1.921) 10.772 21.759 ( -0.309 -1.363 0.805) 1.613 21.780 ( 0.657 -1.820 -1.141) 2.246 23.913 ( -1.991 18.175 9.207) 20.470 24.367 ( 8.099 15.816 -23.756) 29.666 27.104 ( -0.904 -14.465 13.443) 19.768 27.241 ( 6.252 1.665 -7.438) 9.858 27.399 ( 1.103 7.304 -1.434) 7.524 27.587 ( -9.194 -4.244 4.650) 11.143 31.282 ( -0.203 13.376 -0.033) 13.377 31.300 ( -1.637 12.913 -0.040) 13.016 33.767 ( -2.258 -1.354 9.846) 10.192 34.228 ( 7.245 -0.816 -22.298) 23.460 ======================= Grid point 181 (87/115) ======================= q-point: (-0.11 0.11 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.393 ( 3.364 15.243 19.200) 24.745 1.761 ( -3.815 3.577 -9.298) 10.668 1.831 ( 1.672 12.573 -2.448) 12.918 1.864 ( -6.784 -0.773 -2.706) 7.344 1.930 ( -3.238 16.981 5.105) 18.024 2.052 ( 5.655 7.153 -3.060) 9.618 2.349 ( -0.410 8.378 7.612) 11.327 2.509 ( 4.561 3.040 -2.976) 6.237 2.868 ( -2.741 6.177 5.781) 8.893 2.982 ( 3.587 0.386 -1.332) 3.846 3.125 ( -0.473 0.797 -0.991) 1.357 3.165 ( 0.494 4.222 -3.169) 5.302 3.384 ( 0.261 5.929 8.630) 10.474 3.421 ( -2.859 7.960 6.237) 10.509 3.510 ( 0.680 7.564 -5.017) 9.102 3.574 ( 2.710 0.219 -6.040) 6.623 3.860 ( 3.579 16.602 15.221) 22.806 4.125 ( -8.140 3.821 -3.072) 9.503 4.219 ( -1.243 12.738 0.913) 12.831 4.309 ( -3.167 -2.133 7.595) 8.501 4.360 ( -0.889 0.930 -2.462) 2.778 4.522 ( 3.346 0.468 -5.009) 6.042 4.620 ( -0.188 3.330 -4.740) 5.795 4.720 ( 7.911 1.840 -10.971) 13.650 4.932 ( -3.210 -0.632 1.629) 3.655 5.010 ( 1.120 0.932 -6.036) 6.210 5.273 ( -2.060 0.753 4.811) 5.287 5.342 ( 3.211 0.061 -1.284) 3.459 5.379 ( -1.399 2.671 2.708) 4.053 5.510 ( -1.825 1.512 -7.941) 8.287 5.976 ( -9.756 13.108 7.294) 17.894 6.069 ( 7.202 30.968 -0.125) 31.795 6.189 ( -6.449 16.128 0.669) 17.382 6.218 ( 6.329 4.962 -2.418) 8.398 6.697 ( 2.161 -7.099 14.220) 16.040 6.943 ( 1.269 10.858 -9.526) 14.500 7.635 ( 1.511 6.619 -0.156) 6.791 7.650 ( -2.647 8.345 -1.565) 8.894 8.896 ( 0.894 6.053 0.748) 6.164 8.910 ( -0.600 5.606 -0.549) 5.665 9.352 ( -1.062 3.375 5.081) 6.191 9.441 ( 1.018 0.546 -2.693) 2.930 12.888 ( -1.940 -13.289 5.476) 14.503 12.967 ( 1.279 -16.850 0.002) 16.898 13.000 ( 0.391 -49.919 0.616) 49.924 13.072 ( -0.007 -38.084 -3.337) 38.230 13.307 ( -0.736 -27.165 0.825) 27.188 13.339 ( 1.090 -23.383 -1.866) 23.483 15.982 ( -0.320 2.475 0.555) 2.557 15.991 ( 0.418 2.539 -0.198) 2.581 16.414 ( -1.692 3.568 1.888) 4.377 16.457 ( 1.910 4.533 -2.145) 5.366 17.022 ( -0.377 35.536 4.594) 35.834 17.144 ( 0.347 36.253 -7.091) 36.942 18.279 ( 0.803 1.134 0.130) 1.396 18.283 ( -0.521 0.994 -0.236) 1.147 18.945 ( -0.857 -6.656 3.796) 7.710 19.004 ( 0.453 -5.165 -1.946) 5.538 19.405 ( 0.164 -11.945 1.199) 12.006 19.434 ( -0.112 -10.537 -1.444) 10.636 21.783 ( -0.401 -1.662 1.038) 2.000 21.812 ( 0.480 -2.189 -1.643) 2.779 23.599 ( -2.151 25.944 8.974) 27.537 23.901 ( 2.133 32.677 -21.773) 39.324 27.169 ( -15.235 -1.721 5.030) 16.136 27.252 ( 6.695 3.477 -3.120) 8.164 27.570 ( 18.806 -10.488 4.095) 21.919 27.596 ( -9.901 -9.018 0.719) 13.411 31.071 ( 0.751 13.467 0.232) 13.490 31.076 ( -0.772 13.395 -0.192) 13.418 33.804 ( -1.805 1.342 8.679) 8.966 34.083 ( 1.691 9.004 -19.385) 21.441 ======================= Grid point 184 (88/115) ======================= q-point: ( 0.22 0.22 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 115 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.072 ( 10.630 0.000 -1.863) 10.792 1.507 ( 16.200 0.000 -13.509) 21.093 1.718 ( 3.913 0.000 6.619) 7.689 1.844 ( -5.654 -0.000 3.528) 6.664 1.851 ( -4.198 -0.000 -0.240) 4.205 2.089 ( 5.468 0.000 12.603) 13.739 2.371 ( -7.272 -0.000 -8.266) 11.009 2.574 ( -4.280 -0.000 -2.023) 4.734 2.641 ( 2.311 0.000 -4.040) 4.655 2.786 ( 16.351 0.000 -24.989) 29.863 3.072 ( 14.837 0.000 -9.462) 17.597 3.281 ( -0.919 -0.000 8.890) 8.938 3.333 ( 9.343 0.000 -2.269) 9.615 3.345 ( 13.847 0.000 5.101) 14.757 3.458 ( 1.770 0.000 8.601) 8.782 3.480 ( -1.730 -0.000 -8.818) 8.986 3.834 ( 8.289 0.000 -3.202) 8.886 3.966 ( 1.392 0.000 -1.671) 2.174 4.069 ( -4.547 -0.000 4.824) 6.629 4.155 ( -7.166 -0.000 -10.654) 12.840 4.299 ( -6.540 -0.000 7.450) 9.913 4.348 ( -5.705 -0.000 10.217) 11.702 4.607 ( -11.205 -0.000 11.709) 16.206 4.654 ( 2.202 0.000 0.270) 2.218 4.813 ( -4.492 -0.000 5.641) 7.211 4.887 ( 1.345 0.000 -11.976) 12.051 5.067 ( -4.480 -0.000 -2.642) 5.201 5.131 ( 0.422 0.000 3.204) 3.231 5.298 ( 0.356 0.000 1.914) 1.947 5.329 ( -2.424 -0.000 5.567) 6.071 5.695 ( 2.898 0.000 -1.215) 3.142 5.706 ( 3.475 0.000 3.365) 4.837 5.865 ( -2.116 -0.000 6.966) 7.280 6.189 ( -3.496 -0.000 -5.269) 6.324 6.558 ( -5.887 -0.000 -13.733) 14.941 6.825 ( -7.912 -0.000 11.718) 14.139 8.076 ( 8.025 0.000 -0.817) 8.067 8.368 ( 14.894 0.000 0.031) 14.895 8.832 ( -2.062 -0.000 -0.960) 2.275 8.841 ( 0.425 0.000 0.685) 0.806 9.300 ( -4.534 -0.000 2.643) 5.248 9.307 ( -0.162 -0.000 -5.747) 5.750 12.953 ( -1.454 -0.000 1.933) 2.419 12.992 ( -0.595 -0.000 -7.089) 7.114 13.176 ( -6.309 -0.000 0.246) 6.313 13.337 ( -4.191 -0.000 4.841) 6.403 14.393 ( 0.218 0.000 1.101) 1.123 14.635 ( 3.587 0.000 -1.235) 3.794 15.733 ( -3.756 -0.000 0.499) 3.789 15.761 ( -4.621 -0.000 -0.219) 4.626 16.196 ( -0.281 -0.000 0.225) 0.360 16.217 ( -0.120 -0.000 -2.447) 2.450 16.331 ( -0.788 -0.000 2.842) 2.950 16.428 ( 1.556 0.000 -0.580) 1.661 18.441 ( 5.218 0.000 2.768) 5.906 18.459 ( 5.670 0.000 -1.187) 5.793 19.009 ( -2.823 -0.000 0.756) 2.922 19.051 ( -2.457 -0.000 -1.405) 2.830 19.642 ( 0.628 0.000 -0.500) 0.803 19.664 ( 0.448 0.000 0.307) 0.543 21.776 ( -1.153 -0.000 -0.608) 1.303 21.796 ( -0.800 -0.000 0.711) 1.070 23.046 ( 0.432 0.000 1.265) 1.337 23.155 ( 3.169 0.000 -1.267) 3.413 26.840 ( -8.535 -0.000 -7.566) 11.406 26.964 ( -3.903 -0.000 9.534) 10.302 28.029 ( 4.854 0.000 9.532) 10.697 28.038 ( 3.408 0.000 -12.711) 13.160 30.886 ( 3.426 0.000 0.545) 3.469 31.045 ( 6.780 0.000 -0.756) 6.822 33.797 ( 1.384 0.000 1.490) 2.034 33.867 ( 3.751 0.000 -1.592) 4.075 ======================= Grid point 185 (89/115) ======================= q-point: ( 0.33 0.22 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.382 ( 4.753 -11.783 4.768) 13.571 1.675 ( 9.211 -6.381 -1.328) 11.283 1.732 ( 3.281 -0.690 1.131) 3.538 1.888 ( -0.884 -7.514 1.099) 7.645 2.016 ( -2.351 -13.030 4.966) 14.141 2.143 ( -0.265 0.476 3.732) 3.772 2.444 ( -2.454 -19.036 -5.794) 20.049 2.576 ( -2.428 -7.810 -0.278) 8.184 2.721 ( 7.213 -9.412 -13.966) 18.322 2.907 ( 4.690 -13.379 -13.386) 19.498 3.181 ( 6.752 -0.594 -1.996) 7.066 3.276 ( 8.875 6.057 -0.528) 10.758 3.372 ( -1.796 -1.874 -3.811) 4.611 3.470 ( 6.090 1.227 -0.865) 6.273 3.521 ( 11.559 -5.621 -2.738) 13.141 3.621 ( 4.207 -7.488 2.305) 8.893 3.882 ( -0.280 -2.015 -1.777) 2.701 3.984 ( -3.161 -1.645 -8.423) 9.146 4.008 ( -7.461 -1.292 -1.685) 7.758 4.071 ( -4.528 -2.865 1.407) 5.540 4.288 ( -1.939 -0.132 6.741) 7.016 4.412 ( -2.323 -7.031 16.420) 18.012 4.669 ( 0.741 -6.757 3.831) 7.802 4.718 ( -2.509 -6.678 8.488) 11.088 4.785 ( -2.785 0.540 2.199) 3.589 4.853 ( 1.911 -2.734 -6.556) 7.355 5.071 ( -0.510 -4.299 -0.882) 4.418 5.211 ( -1.273 -9.173 1.536) 9.387 5.285 ( -1.223 2.777 5.071) 5.910 5.396 ( 1.658 -9.307 0.486) 9.466 5.733 ( 2.902 0.111 0.663) 2.979 5.808 ( 2.577 -10.362 -3.627) 11.277 5.940 ( 2.415 -4.180 8.587) 9.851 6.099 ( -6.361 -0.217 -6.680) 9.226 6.385 ( -8.056 2.376 -12.277) 14.875 6.789 ( -6.864 4.673 15.215) 17.333 8.113 ( 5.914 4.380 0.100) 7.360 8.458 ( 12.445 5.472 -3.754) 14.103 8.816 ( -2.731 -2.282 -0.376) 3.579 8.850 ( -2.876 -3.644 -0.824) 4.715 9.286 ( -2.372 -2.149 1.073) 3.376 9.298 ( 0.376 -2.397 -4.302) 4.939 12.917 ( -1.301 2.771 -2.760) 4.122 12.943 ( -1.378 1.970 -1.190) 2.682 13.085 ( -5.482 3.236 0.485) 6.384 13.271 ( -4.093 5.596 2.708) 7.443 13.984 ( 0.478 48.779 2.437) 48.842 14.226 ( 2.804 49.206 -2.023) 49.327 15.752 ( -3.340 -5.114 -0.651) 6.143 15.782 ( -3.629 -5.316 0.808) 6.487 16.308 ( -1.327 -4.768 1.062) 5.062 16.393 ( 0.635 -11.321 -2.356) 11.581 16.514 ( 0.871 -26.935 0.324) 26.951 16.545 ( -0.216 -23.105 1.570) 23.159 18.498 ( 3.928 1.487 3.198) 5.279 18.503 ( 5.006 1.243 -0.362) 5.170 18.968 ( -2.390 1.981 0.675) 3.177 18.989 ( -1.383 3.113 -2.414) 4.175 19.580 ( 0.495 8.209 -0.020) 8.224 19.603 ( 0.217 7.935 -0.087) 7.938 21.767 ( -0.516 -0.190 0.066) 0.554 21.787 ( -0.712 0.843 0.569) 1.242 23.223 ( -1.847 -19.702 3.517) 20.098 23.321 ( 2.873 -17.326 -2.611) 17.756 26.736 ( -4.457 -0.141 -4.295) 6.191 26.999 ( -3.634 -2.654 8.818) 9.900 27.973 ( 3.305 3.364 -12.154) 13.037 28.051 ( 1.947 6.940 6.237) 9.531 30.992 ( 3.479 -7.811 1.167) 8.630 31.159 ( 6.115 -6.072 -1.432) 8.736 33.830 ( -0.265 -0.671 2.521) 2.622 33.904 ( 3.576 -0.884 -2.028) 4.205 ======================= Grid point 186 (90/115) ======================= q-point: ( 0.44 0.22 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.527 ( -2.977 0.918 10.734) 11.177 1.721 ( 3.674 -5.375 4.181) 7.738 1.951 ( 6.106 -3.805 -2.279) 7.547 2.021 ( 4.954 -10.897 -3.994) 12.619 2.118 ( -1.889 -5.395 -1.185) 5.838 2.205 ( -1.883 -8.075 3.526) 9.010 2.583 ( -7.036 -11.909 -4.694) 14.607 2.651 ( 2.931 4.150 -0.420) 5.098 2.870 ( -0.458 -6.950 -2.823) 7.516 3.054 ( 5.990 -3.514 -5.862) 9.088 3.226 ( -3.331 0.447 -4.689) 5.769 3.279 ( 1.891 -1.099 0.933) 2.377 3.374 ( 9.924 -1.340 -3.247) 10.528 3.492 ( -1.093 1.171 -1.251) 2.032 3.676 ( -1.097 -0.102 2.193) 2.455 3.773 ( 5.702 -0.878 -3.655) 6.829 3.845 ( -1.756 -6.749 -2.900) 7.553 3.969 ( 2.927 0.286 0.714) 3.026 4.048 ( 1.471 -13.687 -10.847) 17.526 4.095 ( -3.573 -4.857 1.412) 6.193 4.320 ( -1.758 -2.522 4.200) 5.205 4.558 ( -2.365 -5.002 1.444) 5.719 4.655 ( 0.807 6.423 -1.379) 6.619 4.848 ( 3.939 -4.651 10.825) 12.422 4.916 ( 1.728 -5.671 -4.201) 7.266 4.968 ( 0.085 -6.630 11.160) 12.982 5.132 ( 2.087 -2.275 1.860) 3.604 5.286 ( -1.281 -2.791 7.320) 7.938 5.315 ( 0.331 -1.335 3.900) 4.135 5.697 ( 2.870 -2.450 0.513) 3.808 5.815 ( 1.002 -11.303 -3.559) 11.893 5.929 ( -9.146 2.113 -6.862) 11.627 6.133 ( 2.243 -47.008 -1.683) 47.092 6.226 ( -2.915 -1.420 -6.684) 7.429 6.339 ( 0.693 -42.175 0.557) 42.184 6.715 ( -10.094 0.942 13.685) 17.031 8.085 ( 3.859 6.172 1.654) 7.465 8.431 ( 9.325 8.287 -7.553) 14.583 8.855 ( -2.725 -6.954 0.100) 7.469 8.907 ( -2.161 -7.113 -0.123) 7.435 9.324 ( -1.143 -4.169 0.707) 4.381 9.337 ( 0.708 -4.369 -2.775) 5.224 12.831 ( -1.622 6.887 -0.689) 7.109 12.840 ( -0.895 12.431 -2.022) 12.626 12.953 ( -0.695 27.168 0.126) 27.177 13.038 ( -3.607 24.294 -0.570) 24.566 13.183 ( -0.136 35.846 4.035) 36.073 13.354 ( 0.149 54.356 -1.553) 54.378 15.800 ( -2.452 -5.929 -0.765) 6.461 15.835 ( -2.910 -5.845 0.749) 6.572 16.368 ( -1.318 -3.991 2.779) 5.039 16.478 ( 1.363 -4.114 -2.947) 5.241 17.004 ( 1.030 -32.254 -0.368) 32.273 17.039 ( -1.295 -34.210 1.193) 34.255 18.511 ( 2.596 3.261 2.047) 4.644 18.521 ( 3.633 2.752 0.555) 4.591 18.911 ( -1.210 2.803 -0.195) 3.059 18.919 ( -0.598 2.892 -1.722) 3.418 19.421 ( -0.015 12.563 0.983) 12.602 19.449 ( -0.055 11.149 -0.643) 11.168 21.763 ( -0.293 1.128 -0.094) 1.169 21.767 ( -0.434 0.272 0.718) 0.882 23.566 ( -4.582 -23.948 5.447) 24.984 23.667 ( 3.218 -24.653 -4.574) 25.279 26.701 ( -1.423 -0.692 0.485) 1.655 27.058 ( -3.638 -4.414 5.703) 8.078 27.878 ( 3.614 5.394 -10.084) 11.994 27.956 ( 0.181 9.687 3.062) 10.161 31.188 ( 2.643 -11.463 1.495) 11.859 31.327 ( 4.304 -8.936 -1.763) 10.074 33.822 ( -2.263 2.067 3.666) 4.778 33.944 ( 3.443 -1.436 -3.341) 5.007 ======================= Grid point 187 (91/115) ======================= q-point: ( 0.56 0.22 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.520 ( -4.025 0.260 10.324) 11.084 1.851 ( 3.355 -0.703 -2.318) 4.138 1.990 ( 0.121 -0.557 0.562) 0.800 2.161 ( 5.441 -4.202 -2.651) 7.368 2.262 ( 3.262 -9.650 -1.913) 10.365 2.378 ( -1.804 -15.161 1.384) 15.331 2.540 ( -0.874 10.575 3.813) 11.275 2.640 ( -5.868 -8.445 -4.386) 11.180 2.872 ( -6.714 0.206 0.850) 6.771 3.021 ( 4.385 7.379 -8.789) 12.285 3.199 ( -0.556 0.219 -3.718) 3.766 3.248 ( -1.477 5.136 5.807) 7.892 3.430 ( -0.592 -0.223 -2.141) 2.233 3.569 ( 4.406 -6.608 1.724) 8.127 3.669 ( 0.274 -1.330 1.107) 1.752 3.782 ( 5.892 -1.041 -0.701) 6.025 3.914 ( -0.002 -1.511 0.909) 1.764 4.007 ( 3.908 1.278 1.546) 4.393 4.099 ( 0.637 0.233 -0.700) 0.974 4.254 ( 2.839 -10.673 -8.211) 13.762 4.370 ( -3.852 -6.449 -1.251) 7.615 4.500 ( -2.354 2.954 -5.153) 6.389 4.655 ( 1.466 -1.046 2.756) 3.292 4.955 ( -1.051 -1.682 -0.183) 1.991 4.983 ( 1.119 0.149 4.743) 4.875 5.011 ( 0.795 1.670 4.538) 4.900 5.178 ( 2.502 1.357 2.703) 3.925 5.333 ( 0.659 1.677 3.358) 3.811 5.444 ( 1.525 -6.612 5.108) 8.494 5.696 ( -0.387 0.270 -4.110) 4.137 5.724 ( -7.886 3.869 -2.413) 9.109 5.842 ( 0.189 -0.023 -2.529) 2.536 6.210 ( 2.902 0.033 -0.685) 2.982 6.503 ( -5.296 8.679 8.428) 13.206 7.282 ( 0.538 -76.647 1.425) 76.662 7.434 ( -1.835 -79.617 -1.723) 79.657 8.062 ( 1.837 -2.749 3.137) 4.557 8.371 ( 3.479 -1.923 -8.012) 8.944 8.951 ( -1.480 -7.273 0.783) 7.463 8.996 ( -1.479 -6.496 -0.143) 6.664 9.386 ( -0.500 -4.174 0.652) 4.254 9.404 ( 0.664 -4.468 -1.372) 4.721 11.843 ( 0.060 83.811 2.600) 83.851 12.035 ( 2.834 81.016 -5.434) 81.248 12.784 ( 0.750 2.325 -1.302) 2.768 12.837 ( -2.612 5.969 2.460) 6.964 12.948 ( -0.951 1.183 -0.776) 1.704 13.035 ( -3.014 7.804 1.540) 8.506 15.871 ( -0.975 -6.023 -0.562) 6.127 15.904 ( -1.921 -5.803 0.535) 6.136 16.432 ( -1.325 -3.593 3.578) 5.241 16.532 ( 1.637 -3.020 -3.284) 4.752 17.470 ( 0.844 -26.253 0.247) 26.268 17.508 ( -0.651 -26.829 -0.068) 26.837 18.478 ( 1.112 4.789 1.245) 5.072 18.500 ( 2.123 4.131 0.018) 4.645 18.858 ( -1.709 2.418 1.001) 3.126 18.874 ( 0.930 1.424 -2.375) 2.921 19.226 ( -0.753 12.791 2.222) 13.005 19.274 ( 0.113 10.327 -1.321) 10.411 21.744 ( -0.267 0.891 0.584) 1.098 21.762 ( -0.106 0.350 -0.149) 0.395 23.879 ( -4.587 -18.205 6.314) 19.807 24.050 ( 4.315 -23.240 -7.382) 24.763 26.731 ( 0.248 -1.877 5.486) 5.804 27.113 ( -3.180 -5.160 0.105) 6.062 27.772 ( 3.351 6.961 -6.810) 10.298 27.812 ( -1.562 9.575 1.986) 9.903 31.385 ( 1.476 -9.257 1.326) 9.467 31.477 ( 1.945 -6.702 -1.594) 7.158 33.774 ( -3.185 3.301 6.026) 7.574 33.992 ( 4.555 -3.477 -7.344) 9.315 ======================= Grid point 188 (92/115) ======================= q-point: (-0.33 0.22 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.563 ( -2.839 -3.008 8.720) 9.651 1.806 ( 3.648 3.643 -9.306) 10.638 2.001 ( -0.252 2.249 4.585) 5.113 2.235 ( -3.525 -2.743 -3.497) 5.673 2.316 ( -3.080 3.940 8.500) 9.862 2.413 ( 2.936 7.043 0.683) 7.661 2.641 ( 0.908 -12.798 1.956) 12.978 2.671 ( -1.095 -4.254 -3.141) 5.400 2.792 ( -6.933 -2.003 1.488) 7.368 2.906 ( 4.300 4.900 -11.060) 12.839 3.128 ( -4.456 4.566 1.442) 6.541 3.155 ( 2.591 6.985 -1.010) 7.519 3.464 ( 1.858 -0.299 1.633) 2.492 3.593 ( 1.435 0.260 -2.224) 2.660 3.785 ( 3.065 1.064 4.906) 5.882 3.830 ( -1.918 2.764 1.797) 3.813 3.943 ( 2.418 -3.457 -0.621) 4.264 4.061 ( 5.766 -2.945 -1.937) 6.758 4.119 ( -4.331 -3.590 8.309) 10.034 4.347 ( 3.091 -3.672 -6.701) 8.242 4.400 ( 3.379 -2.522 -7.065) 8.228 4.450 ( -6.121 -3.464 0.255) 7.037 4.698 ( 0.765 -0.513 3.157) 3.289 4.909 ( -5.628 4.041 3.126) 7.601 4.944 ( -0.206 0.455 -1.950) 2.013 5.045 ( 3.460 3.664 -2.831) 5.780 5.219 ( 4.950 -0.417 5.662) 7.533 5.323 ( -0.233 2.382 4.188) 4.823 5.471 ( -3.255 0.259 -2.757) 4.274 5.571 ( -4.152 1.460 -3.387) 5.553 5.801 ( 0.608 -8.716 2.962) 9.226 5.869 ( 2.374 -4.061 -2.251) 5.215 6.222 ( 3.885 3.623 1.010) 5.408 6.345 ( -6.275 7.045 3.903) 10.210 7.811 ( -1.719 4.085 4.159) 6.078 7.933 ( 3.632 3.416 -6.027) 7.822 8.964 ( -0.138 -76.816 -0.760) 76.819 9.010 ( -3.678 -56.315 -1.204) 56.448 9.047 ( 1.500 -33.574 0.811) 33.617 9.070 ( -0.747 -16.604 0.584) 16.631 9.436 ( -0.249 -1.936 1.148) 2.265 9.460 ( 0.604 -2.587 -0.710) 2.750 10.510 ( 0.229 89.833 3.581) 89.905 10.697 ( 1.657 89.276 -7.314) 89.590 12.766 ( -1.854 0.344 3.879) 4.313 12.805 ( 2.100 -1.465 -2.019) 3.261 12.926 ( -2.343 1.468 2.205) 3.537 12.954 ( 0.294 -1.242 -1.642) 2.079 15.950 ( 0.421 -4.625 -0.153) 4.646 15.970 ( -1.120 -4.339 0.281) 4.490 16.482 ( -1.475 -1.811 3.791) 4.452 16.564 ( 1.990 -1.015 -3.403) 4.070 17.789 ( 0.398 -12.098 1.158) 12.159 17.821 ( 0.683 -13.337 -1.083) 13.399 18.411 ( 0.233 5.053 0.417) 5.075 18.440 ( 0.112 5.083 -0.499) 5.109 18.817 ( -1.352 1.421 1.524) 2.484 18.864 ( 0.953 -0.380 -2.440) 2.647 19.071 ( -1.212 6.655 3.431) 7.585 19.145 ( 0.662 4.741 -2.269) 5.297 21.738 ( -0.217 0.096 0.760) 0.796 21.756 ( 0.116 0.114 -0.496) 0.522 24.081 ( -3.319 -7.878 7.969) 11.687 24.346 ( 4.720 -14.747 -12.035) 19.611 26.827 ( 0.070 -4.426 10.188) 11.108 27.151 ( -1.328 -5.504 -5.991) 8.243 27.655 ( 2.042 8.917 -1.913) 9.345 27.667 ( -1.964 7.197 0.696) 7.493 31.491 ( 0.578 -1.633 0.757) 1.890 31.533 ( 0.016 0.310 -1.004) 1.051 33.746 ( -2.945 1.213 9.249) 9.782 34.062 ( 4.788 -6.133 -13.050) 15.193 ======================= Grid point 189 (93/115) ======================= q-point: (-0.22 0.22 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.630 ( -2.076 -3.156 6.498) 7.517 1.765 ( 2.331 0.331 -6.253) 6.682 1.944 ( 0.387 10.562 9.126) 13.964 2.106 ( -5.815 5.784 -2.536) 8.585 2.262 ( -4.065 5.021 3.721) 7.456 2.346 ( 5.604 7.576 -0.904) 9.467 2.607 ( -0.211 4.951 1.193) 5.097 2.717 ( 1.620 7.225 -4.561) 8.697 2.893 ( 0.642 -11.101 1.539) 11.225 2.933 ( -0.301 -8.400 -1.559) 8.549 3.000 ( -6.228 3.919 2.298) 7.709 3.111 ( 8.637 3.795 -7.226) 11.884 3.483 ( -0.354 0.833 5.231) 5.308 3.586 ( 0.324 0.963 -3.569) 3.711 3.705 ( -3.818 8.167 2.026) 9.240 3.741 ( 2.995 7.381 -0.669) 7.994 4.028 ( -0.841 -1.831 4.849) 5.251 4.096 ( -7.304 -4.082 3.579) 9.101 4.227 ( 1.182 -4.809 1.225) 5.101 4.383 ( 6.124 -0.783 -8.445) 10.461 4.423 ( -4.959 0.644 3.085) 5.876 4.482 ( 4.570 -3.779 -2.432) 6.409 4.714 ( 0.143 2.965 7.211) 7.798 4.826 ( -4.355 -1.069 0.724) 4.542 4.924 ( 2.050 5.311 -3.077) 6.471 4.967 ( 1.149 0.528 -7.354) 7.462 5.303 ( -2.390 1.780 5.641) 6.380 5.342 ( 6.944 -0.839 2.129) 7.312 5.428 ( -3.207 -0.327 0.118) 3.226 5.503 ( -0.918 -0.034 -5.624) 5.699 5.942 ( -4.324 -7.001 4.037) 9.165 6.002 ( 4.045 -10.704 -1.081) 11.494 6.214 ( 2.222 1.472 1.307) 2.969 6.228 ( -1.150 2.645 0.088) 2.886 7.677 ( -3.019 11.930 4.431) 13.079 7.783 ( 2.694 12.168 -5.394) 13.580 8.995 ( -0.680 61.322 4.292) 61.476 9.048 ( 0.400 4.833 -0.730) 4.905 9.072 ( 0.192 29.658 2.259) 29.745 9.193 ( -0.034 82.182 -8.600) 82.631 9.447 ( -0.471 1.320 2.106) 2.530 9.493 ( 0.375 3.935 -2.159) 4.505 10.499 ( -1.273 -90.119 0.223) 90.129 10.504 ( 1.312 -91.091 -0.291) 91.101 12.793 ( -2.347 -3.576 4.315) 6.076 12.854 ( 0.984 -2.889 -0.245) 3.062 12.955 ( 0.253 -6.182 1.249) 6.312 13.009 ( 0.988 -5.997 -2.884) 6.728 16.006 ( -0.589 -1.792 0.477) 1.945 16.013 ( 0.574 -1.907 -0.203) 2.001 16.493 ( -1.758 0.803 3.297) 3.821 16.564 ( 2.175 1.486 -3.266) 4.196 17.815 ( -0.446 10.389 2.841) 10.780 17.876 ( 0.802 7.135 -2.870) 7.732 18.346 ( 0.043 3.547 0.166) 3.551 18.355 ( -0.499 4.213 -0.603) 4.285 18.817 ( -0.717 -1.566 2.552) 3.078 18.874 ( 0.328 -2.224 -2.712) 3.523 19.073 ( -0.721 -5.612 3.330) 6.565 19.140 ( 1.006 -4.894 -2.843) 5.749 21.743 ( -0.379 -0.646 0.776) 1.078 21.760 ( 0.479 -0.810 -0.774) 1.218 24.128 ( -2.901 4.834 10.795) 12.179 24.422 ( 2.769 0.424 -17.086) 17.314 26.968 ( -4.218 -6.879 12.789) 15.121 27.202 ( 2.078 -6.977 -8.943) 11.531 27.530 ( -5.186 5.858 2.085) 8.097 27.573 ( 7.695 6.632 -1.679) 10.297 31.451 ( 0.494 7.567 0.223) 7.586 31.457 ( -0.508 8.251 -0.376) 8.275 33.783 ( -2.846 -1.575 12.420) 12.839 34.106 ( 2.583 -4.958 -17.959) 18.809 ======================= Grid point 190 (94/115) ======================= q-point: (-0.11 0.22 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.649 ( -5.479 0.774 -1.426) 5.714 1.754 ( -6.485 0.525 5.798) 8.715 1.807 ( 7.528 9.920 2.673) 12.736 2.014 ( 8.136 8.255 -1.789) 11.728 2.118 ( -3.910 9.104 4.194) 10.759 2.278 ( 6.361 10.112 0.383) 11.953 2.521 ( 1.676 9.312 1.696) 9.613 2.596 ( 4.008 5.277 -8.104) 10.468 2.885 ( -6.479 1.103 4.696) 8.077 3.036 ( 2.495 -2.007 2.467) 4.042 3.060 ( 0.368 -6.707 -2.366) 7.122 3.132 ( 4.282 -1.361 -7.483) 8.728 3.468 ( -4.783 2.637 1.669) 5.711 3.517 ( -2.442 5.612 4.112) 7.374 3.597 ( 2.960 2.246 -2.451) 4.451 3.655 ( 4.432 8.080 -1.539) 9.343 4.003 ( -8.511 0.542 5.140) 9.958 4.138 ( 0.875 -2.049 5.228) 5.683 4.278 ( 0.020 -2.201 -0.971) 2.406 4.344 ( -1.645 8.488 7.376) 11.365 4.396 ( -0.847 -0.037 -1.192) 1.463 4.527 ( 3.600 0.342 -5.673) 6.728 4.697 ( 0.282 7.464 0.117) 7.470 4.779 ( 4.222 4.191 -11.014) 12.518 4.870 ( -4.173 -3.547 7.220) 9.062 4.982 ( 1.936 -1.572 -4.569) 5.205 5.262 ( -5.557 0.681 2.633) 6.187 5.368 ( 0.931 1.360 -3.280) 3.671 5.395 ( -4.041 0.663 3.370) 5.303 5.496 ( 2.467 1.385 -2.318) 3.658 5.957 ( -7.954 -0.574 7.294) 10.808 6.182 ( -3.911 -0.628 0.005) 3.961 6.235 ( 6.789 -11.651 -5.314) 14.494 6.339 ( 7.285 -6.026 0.280) 9.458 7.289 ( -5.209 49.346 7.320) 50.157 7.512 ( 7.617 44.095 -7.107) 45.309 7.854 ( -4.256 41.318 1.341) 41.559 7.992 ( 5.394 42.740 -2.643) 43.160 8.995 ( 0.266 5.462 -0.317) 5.478 9.000 ( 1.122 5.303 0.321) 5.430 9.416 ( -1.105 3.216 2.941) 4.496 9.457 ( 0.189 2.043 -2.147) 2.970 11.846 ( -1.203 -84.225 0.286) 84.234 11.884 ( 2.014 -83.918 -0.599) 83.944 12.860 ( -2.778 -5.076 4.554) 7.363 12.926 ( 0.322 -5.484 -0.040) 5.494 13.093 ( 0.151 -9.644 -0.034) 9.646 13.119 ( 0.355 -9.761 -3.047) 10.231 16.001 ( -1.657 0.949 0.442) 1.960 16.022 ( 0.036 1.348 -0.319) 1.386 16.458 ( -2.024 3.050 2.396) 4.375 16.529 ( 2.058 3.588 -2.798) 4.994 17.528 ( -1.828 26.748 4.233) 27.142 17.587 ( -0.880 25.969 -4.855) 26.434 18.310 ( 1.285 2.006 0.059) 2.383 18.317 ( 1.884 1.547 -0.044) 2.438 18.873 ( -0.823 -4.327 3.445) 5.592 18.915 ( 0.266 -4.561 -2.758) 5.336 19.222 ( -1.014 -11.832 1.541) 11.975 19.266 ( 1.540 -10.401 -1.733) 10.657 21.758 ( -0.603 -1.375 0.862) 1.731 21.779 ( 0.416 -1.555 -1.094) 1.946 23.983 ( -4.238 18.143 13.084) 22.766 24.185 ( -0.262 18.469 -17.408) 25.381 27.040 ( -9.307 -2.616 11.118) 14.734 27.315 ( -1.161 -11.184 -6.827) 13.154 27.389 ( -1.244 6.532 -0.224) 6.653 27.660 ( 13.986 -3.550 -1.756) 14.536 31.282 ( 0.129 13.393 -0.102) 13.394 31.298 ( 1.699 12.829 0.100) 12.941 33.848 ( -3.680 -0.807 13.570) 14.083 34.048 ( -0.096 0.718 -17.191) 17.206 ======================= Grid point 194 (95/115) ======================= q-point: ( 0.33 0.33 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 115 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.352 ( 11.052 0.000 5.955) 12.554 1.757 ( 6.982 0.000 0.145) 6.983 1.781 ( -1.100 -0.000 5.707) 5.812 1.868 ( 0.243 0.000 10.203) 10.206 1.880 ( 11.766 0.000 -0.977) 11.807 2.059 ( -6.042 -0.000 -6.616) 8.960 2.260 ( 0.197 0.000 1.042) 1.060 2.403 ( -6.276 -0.000 -5.848) 8.578 2.674 ( 4.643 0.000 -6.783) 8.220 2.801 ( 8.878 0.000 -17.758) 19.854 3.217 ( 1.649 0.000 0.299) 1.676 3.317 ( -3.298 -0.000 -6.130) 6.961 3.365 ( -1.141 -0.000 6.752) 6.847 3.529 ( -2.078 -0.000 0.287) 2.098 3.555 ( -1.256 -0.000 1.364) 1.854 3.643 ( 20.207 0.000 -6.969) 21.375 3.833 ( -6.637 -0.000 -7.432) 9.964 3.909 ( -2.149 -0.000 6.381) 6.733 3.910 ( 2.155 0.000 -13.298) 13.472 4.041 ( -2.441 -0.000 5.323) 5.856 4.317 ( 1.985 0.000 2.321) 3.054 4.476 ( 0.003 0.000 18.026) 18.026 4.547 ( -6.488 -0.000 11.982) 13.626 4.718 ( 4.590 0.000 2.941) 5.451 4.804 ( 0.991 0.000 -1.482) 1.783 4.814 ( 5.550 0.000 -10.390) 11.780 4.969 ( -4.157 -0.000 0.218) 4.163 5.208 ( 2.471 0.000 3.690) 4.441 5.319 ( -3.166 -0.000 3.301) 4.574 5.380 ( 3.444 0.000 3.001) 4.568 5.707 ( 1.290 0.000 -4.409) 4.594 5.779 ( 2.350 0.000 -2.317) 3.300 5.988 ( -7.580 -0.000 -6.632) 10.072 6.035 ( 5.144 0.000 9.932) 11.186 6.231 ( -8.215 -0.000 -11.279) 13.954 6.838 ( -9.480 -0.000 17.756) 20.128 8.202 ( 3.843 0.000 0.770) 3.920 8.588 ( 9.598 0.000 -5.682) 11.154 8.759 ( -5.630 -0.000 -3.414) 6.585 8.770 ( -2.720 -0.000 0.329) 2.740 9.251 ( -1.824 -0.000 0.842) 2.009 9.260 ( 0.920 0.000 -4.202) 4.301 12.902 ( -0.921 -0.000 -4.393) 4.488 12.956 ( -0.494 -0.000 2.539) 2.586 13.048 ( -5.783 -0.000 0.540) 5.808 13.281 ( -3.896 -0.000 0.544) 3.934 14.437 ( 1.029 0.000 3.624) 3.767 14.676 ( 2.244 0.000 -2.748) 3.548 15.685 ( -2.032 -0.000 -0.350) 2.062 15.687 ( -1.557 -0.000 0.671) 1.695 16.179 ( -0.747 -0.000 -0.747) 1.056 16.185 ( -0.637 -0.000 -1.517) 1.645 16.353 ( -0.557 -0.000 3.241) 3.288 16.447 ( 0.892 0.000 -0.869) 1.245 18.564 ( 4.674 0.000 0.005) 4.674 18.569 ( 2.622 0.000 4.302) 5.038 18.959 ( -2.468 -0.000 0.376) 2.497 18.982 ( -1.290 -0.000 -2.950) 3.220 19.651 ( 0.439 0.000 -0.189) 0.478 19.671 ( 0.059 0.000 -0.054) 0.080 21.762 ( -0.327 -0.000 0.705) 0.777 21.791 ( -0.238 -0.000 0.220) 0.324 23.078 ( 0.688 0.000 2.024) 2.138 23.199 ( 2.532 0.000 -2.149) 3.321 26.693 ( -0.246 -0.000 -1.798) 1.814 26.983 ( -4.932 -0.000 8.689) 9.991 27.969 ( 4.289 0.000 -11.805) 12.560 28.130 ( -2.444 -0.000 4.156) 4.821 30.979 ( 3.552 0.000 2.037) 4.095 31.163 ( 5.410 0.000 -2.428) 5.930 33.847 ( 1.313 0.000 1.848) 2.267 33.925 ( 3.307 0.000 -2.056) 3.894 ======================= Grid point 195 (96/115) ======================= q-point: ( 0.44 0.33 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.576 ( 4.454 -4.257 9.354) 11.200 1.725 ( -1.594 2.293 8.398) 8.850 1.875 ( 2.517 -8.903 -1.001) 9.306 1.951 ( -4.043 -3.001 1.686) 5.310 2.058 ( 9.753 -1.355 -1.567) 9.971 2.157 ( 2.859 -8.213 5.566) 10.325 2.314 ( -3.612 -7.814 -7.307) 11.291 2.543 ( 1.720 -24.706 -1.204) 24.795 2.751 ( 7.021 -7.541 -11.139) 15.174 2.840 ( 1.654 -8.875 -9.031) 12.769 3.213 ( -2.271 3.852 -5.943) 7.437 3.273 ( 4.460 -4.540 0.113) 6.365 3.396 ( -2.591 -0.713 3.848) 4.693 3.474 ( -4.993 -0.202 1.877) 5.338 3.573 ( -6.960 -7.068 -0.748) 9.948 3.729 ( -4.709 -1.950 -4.796) 6.999 3.784 ( -1.474 -6.754 -2.341) 7.299 3.870 ( 5.102 1.949 -0.187) 5.464 3.990 ( 4.943 -4.027 -5.078) 8.151 4.068 ( 3.624 -0.704 -0.090) 3.693 4.348 ( 4.763 1.961 -0.088) 5.152 4.513 ( -2.029 -0.868 10.838) 11.061 4.731 ( -2.485 1.437 -0.129) 2.873 4.793 ( 0.217 -11.092 10.693) 15.408 4.881 ( 6.848 -5.712 2.334) 9.218 4.910 ( 8.475 -7.925 3.141) 12.021 5.019 ( -1.120 -14.736 0.600) 14.791 5.261 ( 2.224 -2.642 3.281) 4.764 5.299 ( -1.534 -0.498 1.670) 2.321 5.448 ( 2.504 -4.139 -0.519) 4.865 5.755 ( -0.888 -8.623 -5.523) 10.278 5.761 ( 0.610 1.252 -6.872) 7.012 5.862 ( -8.886 0.289 -4.887) 10.145 5.976 ( -12.851 -3.357 -4.913) 14.161 6.274 ( 13.674 0.380 5.492) 14.741 6.776 ( -12.218 5.303 15.615) 20.524 8.209 ( 1.811 3.851 2.507) 4.939 8.576 ( 5.378 5.841 -12.017) 14.403 8.733 ( -2.046 -4.764 0.819) 5.249 8.787 ( -2.033 -4.884 0.458) 5.310 9.259 ( -1.419 -2.749 0.699) 3.172 9.272 ( 1.149 -2.820 -3.214) 4.427 12.859 ( 0.255 2.211 -2.742) 3.531 12.930 ( -3.435 4.028 3.653) 6.432 12.993 ( -1.341 1.129 -0.544) 1.836 13.195 ( -3.451 5.638 -1.438) 6.765 14.040 ( 0.762 49.065 4.522) 49.279 14.242 ( 1.575 49.525 -3.460) 49.671 15.698 ( -1.176 -3.980 -0.252) 4.158 15.725 ( -2.221 -4.656 0.298) 5.167 16.301 ( -0.795 -6.602 1.553) 6.829 16.377 ( 0.684 -12.907 -2.792) 13.224 16.535 ( 0.304 -25.976 0.776) 25.989 16.553 ( -0.317 -21.459 0.727) 21.473 18.595 ( 2.486 2.212 2.205) 3.992 18.600 ( 2.611 1.865 2.057) 3.811 18.924 ( -2.247 1.380 0.301) 2.654 18.940 ( -0.108 1.855 -3.149) 3.656 19.588 ( 0.158 8.106 0.199) 8.110 19.603 ( 0.001 8.170 -0.246) 8.173 21.765 ( -0.093 -0.052 0.585) 0.594 21.782 ( -0.242 1.015 0.231) 1.069 23.234 ( -0.772 -16.715 3.228) 17.042 23.344 ( 2.106 -16.632 -3.201) 17.068 26.707 ( 2.348 -0.143 1.821) 2.974 26.987 ( -5.696 -2.424 5.703) 8.417 27.936 ( 5.507 3.089 -9.503) 11.410 28.065 ( -4.120 5.248 1.592) 6.859 31.083 ( 2.662 -6.947 2.638) 7.893 31.241 ( 3.583 -5.562 -3.020) 7.272 33.858 ( 0.116 1.542 2.530) 2.965 33.947 ( 2.647 -0.351 -2.743) 3.828 ======================= Grid point 196 (97/115) ======================= q-point: ( 0.56 0.33 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.590 ( -2.788 5.181 13.228) 14.477 1.832 ( 3.624 -4.535 -1.902) 6.109 1.974 ( -2.666 -3.637 2.978) 5.404 2.071 ( -0.422 -1.171 -4.056) 4.242 2.116 ( 4.278 -16.148 0.019) 16.705 2.318 ( 7.947 -1.913 -1.882) 8.388 2.392 ( -3.897 -10.993 -0.309) 11.667 2.673 ( 0.259 1.665 -5.849) 6.087 2.780 ( -5.616 -0.077 3.354) 6.541 3.012 ( -3.762 -6.168 -8.932) 11.488 3.173 ( 6.130 0.456 -0.590) 6.175 3.339 ( -0.148 3.173 -0.738) 3.261 3.386 ( -2.154 -5.311 3.415) 6.672 3.519 ( -1.973 -2.301 0.968) 3.182 3.624 ( 2.624 -9.174 1.212) 9.619 3.777 ( 1.174 -5.662 -2.547) 6.319 3.877 ( 0.049 -3.917 -2.402) 4.595 3.924 ( -6.827 -12.876 0.030) 14.574 4.059 ( 2.795 -2.051 -0.835) 3.566 4.145 ( 7.438 -5.155 -7.300) 11.627 4.341 ( 2.983 4.427 0.646) 5.377 4.498 ( -2.965 5.216 -1.844) 6.277 4.706 ( 2.634 0.275 3.797) 4.629 4.874 ( -3.445 -1.873 -0.514) 3.955 5.052 ( 7.683 -3.167 3.187) 8.901 5.104 ( -0.016 2.443 8.832) 9.164 5.214 ( 2.867 -4.689 5.381) 7.691 5.337 ( -0.564 -3.022 7.504) 8.110 5.435 ( 3.104 -1.218 1.710) 3.747 5.576 ( -10.102 -5.411 -5.313) 12.632 5.703 ( -1.695 -0.326 -6.806) 7.022 5.777 ( -3.117 -2.486 -2.643) 4.783 6.078 ( 3.792 -57.184 -3.230) 57.401 6.222 ( -0.856 -45.644 -4.247) 45.849 6.455 ( 9.377 -8.112 4.022) 13.035 6.610 ( -12.238 7.630 10.430) 17.798 8.163 ( 0.045 5.839 4.796) 7.556 8.440 ( 2.443 7.666 -11.681) 14.184 8.829 ( -0.004 -7.444 1.220) 7.544 8.869 ( -1.336 -7.410 0.008) 7.529 9.310 ( -0.967 -4.844 0.655) 4.983 9.329 ( 1.008 -4.716 -1.986) 5.215 12.803 ( -1.320 8.688 0.892) 8.833 12.816 ( 0.564 9.558 -1.285) 9.660 12.942 ( 0.081 16.804 -0.404) 16.809 12.968 ( -1.866 20.646 -0.859) 20.747 13.225 ( -0.323 44.905 4.033) 45.087 13.334 ( 0.269 58.923 -2.673) 58.985 15.767 ( -0.146 -6.043 -0.126) 6.046 15.788 ( -1.772 -6.250 0.063) 6.496 16.379 ( -0.972 -4.179 3.310) 5.419 16.470 ( 1.232 -4.457 -3.335) 5.702 17.020 ( 0.493 -32.421 0.016) 32.425 17.027 ( -0.598 -33.567 0.293) 33.574 18.571 ( 0.356 4.405 2.461) 5.058 18.589 ( 2.267 4.011 0.186) 4.611 18.876 ( -2.008 1.966 0.619) 2.877 18.897 ( 0.940 1.931 -2.643) 3.406 19.427 ( -0.476 12.455 1.064) 12.509 19.445 ( 0.367 11.503 -0.666) 11.528 21.762 ( -0.207 1.290 0.443) 1.380 21.766 ( 0.052 0.242 0.025) 0.249 23.552 ( -2.297 -22.176 4.743) 22.794 23.672 ( 2.315 -24.552 -5.105) 25.183 26.764 ( 3.020 -0.519 5.805) 6.564 26.997 ( -4.946 -4.048 0.187) 6.394 27.883 ( 5.532 5.867 -6.145) 10.139 27.922 ( -4.305 7.495 0.335) 8.650 31.257 ( 1.325 -10.137 2.663) 10.564 31.362 ( 1.373 -8.357 -2.949) 8.968 33.833 ( -1.272 3.234 4.341) 5.561 33.960 ( 2.267 -0.902 -4.984) 5.549 ======================= Grid point 197 (98/115) ======================= q-point: (-0.33 0.33 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.581 ( -2.273 1.844 11.634) 11.997 1.823 ( 2.842 3.048 -11.355) 12.095 2.032 ( 0.508 -3.366 5.105) 6.136 2.114 ( -1.899 -5.159 -2.741) 6.143 2.357 ( -3.063 -5.120 4.969) 7.764 2.449 ( 5.946 -13.057 -2.558) 14.573 2.509 ( -3.108 -5.994 2.068) 7.062 2.578 ( 1.899 2.479 -6.729) 7.418 2.707 ( -7.916 3.569 9.723) 13.036 2.958 ( 3.836 2.740 -11.747) 12.658 3.166 ( -1.871 4.422 3.895) 6.183 3.269 ( 3.867 4.508 -5.133) 7.850 3.495 ( -0.527 -0.440 3.528) 3.594 3.546 ( 1.082 -6.139 -0.608) 6.263 3.801 ( -2.096 -5.203 6.838) 8.845 3.850 ( 1.154 -2.102 2.838) 3.715 3.886 ( -3.212 -2.973 0.218) 4.382 4.011 ( -0.615 -4.694 -7.382) 8.769 4.125 ( 3.858 -2.200 3.226) 5.489 4.251 ( -1.986 -5.602 -6.473) 8.787 4.340 ( 5.489 -2.298 -1.386) 6.109 4.368 ( -3.441 1.625 -4.108) 5.599 4.752 ( 2.723 1.162 4.287) 5.210 4.833 ( -4.071 -0.150 -2.473) 4.766 5.042 ( -2.773 5.875 5.777) 8.694 5.134 ( 4.503 3.676 -2.022) 6.154 5.305 ( 5.858 -0.120 5.160) 7.807 5.365 ( -4.652 -1.080 0.473) 4.799 5.399 ( -2.682 0.915 2.871) 4.035 5.545 ( 0.605 1.690 -5.674) 5.951 5.716 ( -1.128 -5.086 2.138) 5.631 5.790 ( 0.822 -4.602 -3.785) 6.015 6.391 ( -11.061 7.152 4.677) 13.977 6.431 ( 12.808 8.737 1.353) 15.563 7.313 ( -0.214 -79.066 2.795) 79.116 7.382 ( 0.377 -82.388 -3.537) 82.465 8.124 ( -1.082 -3.069 6.318) 7.107 8.295 ( -0.434 0.535 -9.317) 9.343 8.955 ( 0.604 -7.002 1.077) 7.110 8.971 ( -0.459 -6.848 -0.451) 6.878 9.384 ( -0.578 -4.864 0.767) 4.958 9.404 ( 0.619 -4.623 -1.104) 4.793 11.884 ( -0.053 83.179 4.133) 83.282 11.995 ( 0.196 81.286 -6.353) 81.534 12.781 ( -4.313 3.464 2.689) 6.151 12.826 ( 4.335 1.524 -1.642) 4.879 12.968 ( -0.163 5.699 1.184) 5.823 12.986 ( -0.017 5.347 -0.476) 5.368 15.870 ( 0.235 -6.340 0.148) 6.346 15.873 ( -0.239 -6.445 -0.171) 6.452 16.447 ( -1.267 -3.401 3.737) 5.209 16.527 ( 1.574 -3.522 -3.637) 5.301 17.482 ( -0.483 -26.620 0.756) 26.635 17.499 ( 0.505 -27.022 -0.783) 27.038 18.504 ( -0.266 5.514 1.364) 5.687 18.526 ( 0.426 5.866 -0.562) 5.908 18.833 ( -1.601 1.657 1.300) 2.646 18.871 ( 1.237 1.313 -2.097) 2.766 19.230 ( -1.117 12.449 2.219) 12.695 19.272 ( 1.186 10.700 -1.619) 10.887 21.746 ( -0.406 0.745 0.783) 1.155 21.761 ( 0.486 0.511 -0.563) 0.903 23.879 ( -2.763 -18.719 6.678) 20.066 24.035 ( 2.724 -22.415 -7.839) 23.902 26.847 ( 0.827 -1.603 9.402) 9.573 27.012 ( -1.826 -4.980 -5.389) 7.561 27.757 ( -4.141 7.674 0.681) 8.747 27.810 ( 5.331 7.755 -3.931) 10.199 31.425 ( 0.276 -8.029 2.068) 8.296 31.472 ( -0.343 -6.485 -2.220) 6.863 33.797 ( -2.393 2.662 7.400) 8.221 33.970 ( 2.303 -2.314 -8.655) 9.250 ======================= Grid point 198 (99/115) ======================= q-point: (-0.22 0.33 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.602 ( -3.517 -0.430 8.329) 9.051 1.752 ( 2.311 1.601 -8.282) 8.746 2.089 ( -1.540 2.753 -1.498) 3.491 2.138 ( 3.969 -2.024 4.618) 6.417 2.320 ( -4.492 5.824 4.619) 8.685 2.486 ( 1.540 -0.608 -5.319) 5.571 2.615 ( -7.857 2.950 12.932) 15.416 2.692 ( 2.485 -10.038 -2.649) 10.674 2.714 ( 3.779 -10.113 -1.917) 10.965 2.889 ( 4.711 3.669 -7.789) 9.815 3.068 ( -3.215 7.530 3.435) 8.879 3.236 ( 8.952 4.493 -6.420) 11.897 3.479 ( -6.011 -0.348 2.580) 6.551 3.588 ( 1.966 0.986 -2.876) 3.620 3.799 ( -2.893 6.977 2.777) 8.048 3.845 ( -3.138 1.057 3.342) 4.705 3.937 ( -5.840 -7.924 2.538) 10.166 3.993 ( -3.273 -1.423 -0.280) 3.580 4.220 ( 3.703 -0.888 3.237) 4.998 4.298 ( -5.227 -3.432 -3.892) 7.366 4.349 ( 3.845 -8.697 -5.495) 10.982 4.465 ( 5.702 -4.301 -1.125) 7.230 4.751 ( -5.483 -0.327 0.086) 5.493 4.819 ( 3.566 2.047 6.150) 7.398 4.973 ( -0.065 2.686 1.783) 3.224 5.048 ( 2.419 7.576 -6.295) 10.142 5.304 ( -4.838 -0.029 -1.192) 4.982 5.387 ( -0.978 0.629 4.611) 4.756 5.433 ( 3.858 1.923 -0.361) 4.326 5.489 ( 3.681 -0.280 -1.500) 3.985 5.812 ( -2.126 -6.691 3.091) 7.671 5.876 ( 1.013 -7.293 -3.617) 8.204 6.224 ( -5.416 3.478 0.885) 6.497 6.393 ( 7.937 9.702 -0.042) 12.535 7.808 ( -3.487 4.000 5.217) 7.442 7.917 ( 1.293 4.504 -5.621) 7.318 8.950 ( -1.093 -71.559 0.461) 71.568 8.989 ( 2.606 -66.818 0.673) 66.872 9.057 ( -0.537 -13.705 -0.173) 13.716 9.083 ( 1.456 -33.329 -0.513) 33.365 9.441 ( -0.594 -2.460 1.031) 2.733 9.459 ( 0.197 -2.704 -0.939) 2.869 10.560 ( -0.603 89.767 5.258) 89.923 10.618 ( -0.927 90.231 -6.577) 90.475 12.744 ( -3.135 -1.277 3.032) 4.544 12.844 ( 2.062 0.787 -2.280) 3.173 12.910 ( -0.154 -1.045 1.676) 1.981 12.971 ( 2.522 0.335 -1.472) 2.939 15.947 ( -0.900 -4.521 0.136) 4.612 15.974 ( 1.548 -4.541 -0.064) 4.798 16.490 ( -1.681 -1.293 3.411) 4.017 16.565 ( 1.863 -1.582 -3.774) 4.496 17.794 ( -1.015 -12.497 0.988) 12.577 17.819 ( 0.280 -13.290 -1.163) 13.343 18.423 ( -0.388 5.653 0.148) 5.668 18.425 ( -0.233 5.432 0.000) 5.437 18.812 ( -1.069 0.254 2.218) 2.475 18.856 ( 0.945 0.710 -2.109) 2.418 19.081 ( -1.325 5.875 2.895) 6.682 19.146 ( 2.000 5.326 -2.666) 6.283 21.739 ( -0.419 0.105 0.633) 0.766 21.758 ( 0.677 0.167 -0.655) 0.957 24.114 ( -3.566 -9.414 9.493) 13.837 24.280 ( 2.425 -11.378 -10.687) 15.797 26.923 ( -4.134 -3.835 8.221) 9.969 27.062 ( 2.054 -5.116 -4.811) 7.317 27.610 ( -2.622 7.201 0.667) 7.692 27.733 ( 6.138 6.574 -3.501) 9.651 31.509 ( -0.186 -0.926 0.565) 1.100 31.512 ( -0.462 -0.434 -0.603) 0.874 33.797 ( -3.918 -0.475 10.802) 11.500 33.977 ( 2.148 -2.868 -11.825) 12.356 ======================= Grid point 199 (100/115) ======================= q-point: (-0.11 0.33 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.592 ( -6.402 0.428 4.796) 8.010 1.720 ( 1.331 0.873 -4.005) 4.309 2.008 ( 2.827 5.611 -0.612) 6.312 2.177 ( -6.116 3.919 2.543) 7.696 2.260 ( 10.012 5.204 6.424) 12.984 2.482 ( 6.498 7.626 0.453) 10.029 2.574 ( -2.288 -3.763 -0.341) 4.417 2.693 ( 1.408 7.921 -3.734) 8.870 2.871 ( -2.067 -2.580 -0.137) 3.308 2.929 ( -0.059 -3.983 -2.381) 4.641 2.982 ( 2.377 -4.766 2.839) 6.035 3.224 ( 9.256 5.899 -6.538) 12.776 3.423 ( -7.569 -0.881 1.231) 7.719 3.558 ( -1.359 2.711 -0.127) 3.035 3.682 ( 1.240 5.982 0.622) 6.141 3.776 ( -2.926 4.027 1.450) 5.185 3.938 ( -5.193 -0.843 0.916) 5.341 4.067 ( -4.169 -8.472 6.707) 11.582 4.251 ( -2.396 -1.765 0.058) 2.976 4.312 ( -0.087 -3.217 -2.859) 4.305 4.450 ( 3.827 -0.781 -1.887) 4.338 4.552 ( 2.735 0.371 -0.382) 2.786 4.700 ( -4.019 -2.335 0.710) 4.702 4.878 ( 1.259 0.306 9.875) 9.959 4.886 ( 2.403 10.567 -9.565) 14.454 4.990 ( 4.090 0.235 -1.866) 4.502 5.223 ( -4.751 2.137 -2.044) 5.596 5.351 ( -3.077 1.572 -3.628) 5.010 5.402 ( -0.715 1.278 3.466) 3.763 5.561 ( 4.033 2.283 1.329) 4.821 5.878 ( -4.202 -5.198 3.183) 7.403 6.007 ( -1.523 -10.562 -2.214) 10.899 6.213 ( 3.739 -2.756 -0.281) 4.653 6.353 ( 5.174 2.386 -2.067) 6.062 7.685 ( -1.223 11.329 4.993) 12.441 7.800 ( 3.999 7.306 -4.316) 9.381 9.013 ( -0.977 33.687 1.495) 33.735 9.049 ( -0.357 54.569 -1.753) 54.598 9.074 ( -0.895 38.614 -0.661) 38.630 9.149 ( 1.313 54.232 1.502) 54.268 9.454 ( -1.099 1.756 1.893) 2.806 9.471 ( -0.106 1.153 -1.768) 2.114 10.480 ( -0.769 -89.679 0.229) 89.683 10.544 ( 2.872 -91.316 -0.320) 91.362 12.775 ( -2.946 -4.218 3.037) 5.974 12.854 ( -0.263 -3.139 -0.725) 3.232 12.982 ( 0.802 -5.402 0.046) 5.462 13.006 ( 1.401 -3.771 -2.288) 4.627 15.984 ( -1.242 -1.370 0.525) 1.922 16.027 ( 0.347 -0.768 -0.525) 0.993 16.486 ( -2.052 1.431 2.730) 3.703 16.569 ( 1.912 0.985 -3.583) 4.179 17.805 ( -2.346 9.756 0.729) 10.060 17.842 ( -0.956 9.349 -1.340) 9.493 18.360 ( 1.175 1.900 0.070) 2.235 18.369 ( 1.267 3.223 0.759) 3.546 18.833 ( -0.825 -2.168 2.819) 3.651 18.854 ( 0.608 -1.669 -2.058) 2.718 19.075 ( -1.281 -5.166 1.149) 5.445 19.152 ( 2.173 -4.921 -1.690) 5.638 21.741 ( -0.452 -0.579 0.529) 0.905 21.763 ( 0.524 -0.521 -0.727) 1.037 24.173 ( -5.854 3.880 12.274) 14.142 24.287 ( 1.614 5.191 -11.522) 12.740 26.969 ( -7.441 -4.739 5.359) 10.322 27.128 ( -0.558 -3.252 -1.232) 3.522 27.504 ( 2.774 5.144 -0.320) 5.852 27.730 ( 7.863 0.027 -4.889) 9.258 31.450 ( 0.187 7.253 -0.286) 7.261 31.472 ( 1.132 6.804 0.325) 6.906 33.840 ( -6.138 -2.875 11.735) 13.552 33.963 ( 1.906 -0.979 -10.806) 11.016 ======================= Grid point 204 (101/115) ======================= q-point: ( 0.44 0.44 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 115 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.638 ( 7.782 0.000 6.441) 10.102 1.781 ( -2.319 -0.000 2.727) 3.580 1.855 ( 1.664 0.000 5.224) 5.483 1.880 ( -4.023 -0.000 2.030) 4.506 2.034 ( -1.751 -0.000 11.136) 11.273 2.186 ( -5.002 -0.000 -0.836) 5.071 2.257 ( 14.569 0.000 -4.240) 15.174 2.310 ( 4.790 0.000 -1.456) 5.006 2.662 ( 2.884 0.000 -10.002) 10.409 2.756 ( 3.830 0.000 -14.269) 14.774 3.180 ( -4.011 -0.000 -2.184) 4.567 3.259 ( 4.264 0.000 -2.300) 4.845 3.378 ( -5.888 -0.000 4.952) 7.694 3.422 ( -3.534 -0.000 4.403) 5.645 3.455 ( -1.366 -0.000 -5.374) 5.545 3.535 ( -11.991 -0.000 -2.749) 12.302 3.786 ( 2.593 0.000 -2.816) 3.828 3.831 ( -9.068 -0.000 4.979) 10.345 4.053 ( 13.321 0.000 -9.896) 16.594 4.092 ( 0.046 0.000 1.045) 1.046 4.441 ( 8.058 0.000 1.247) 8.154 4.579 ( -4.433 -0.000 12.857) 13.599 4.619 ( -5.201 -0.000 9.074) 10.459 4.804 ( -0.471 -0.000 2.750) 2.790 4.862 ( 4.062 0.000 -5.937) 7.193 4.894 ( 8.821 0.000 -5.893) 10.609 5.050 ( 14.083 0.000 6.679) 15.587 5.277 ( -3.530 -0.000 3.650) 5.078 5.321 ( 2.482 0.000 6.863) 7.299 5.455 ( 1.975 0.000 -2.572) 3.243 5.621 ( -9.352 -0.000 -7.150) 11.772 5.707 ( -4.163 -0.000 -8.992) 9.909 5.763 ( -9.700 -0.000 -3.625) 10.356 5.802 ( -2.380 -0.000 -3.072) 3.886 6.503 ( 19.158 0.000 5.541) 19.943 6.751 ( -15.707 -0.000 13.796) 20.906 8.263 ( -0.763 -0.000 4.449) 4.514 8.560 ( -0.519 -0.000 -12.258) 12.269 8.713 ( 2.591 0.000 -0.332) 2.612 8.734 ( -1.399 -0.000 0.802) 1.612 9.224 ( -1.677 -0.000 0.774) 1.848 9.246 ( 1.552 0.000 -3.013) 3.389 12.875 ( 1.744 0.000 -1.368) 2.216 12.924 ( -5.314 -0.000 1.923) 5.651 13.018 ( 2.418 0.000 1.800) 3.014 13.189 ( -3.152 -0.000 -3.069) 4.400 14.507 ( 0.568 0.000 5.128) 5.160 14.668 ( 0.736 0.000 -4.051) 4.118 15.662 ( -0.063 -0.000 -0.118) 0.134 15.669 ( -0.678 -0.000 0.162) 0.697 16.157 ( -0.569 -0.000 -0.829) 1.005 16.158 ( -0.066 -0.000 -1.026) 1.028 16.378 ( -0.484 -0.000 3.101) 3.138 16.446 ( 0.323 0.000 -1.478) 1.513 18.644 ( -0.238 -0.000 3.923) 3.931 18.655 ( 3.372 0.000 0.559) 3.418 18.911 ( -2.208 -0.000 0.123) 2.211 18.936 ( 0.384 0.000 -3.164) 3.187 19.657 ( 0.249 0.000 0.030) 0.251 19.667 ( -0.188 -0.000 -0.230) 0.296 21.769 ( -0.128 -0.000 1.041) 1.049 21.790 ( 0.126 0.000 -0.273) 0.301 23.116 ( 0.198 0.000 2.771) 2.778 23.209 ( 1.068 0.000 -2.925) 3.114 26.762 ( 5.184 0.000 3.032) 6.005 26.928 ( -7.006 -0.000 4.151) 8.143 27.980 ( 7.068 0.000 -7.428) 10.253 28.050 ( -6.496 -0.000 0.087) 6.496 31.071 ( 1.724 0.000 3.498) 3.900 31.207 ( 1.803 0.000 -3.873) 4.273 33.888 ( 0.178 0.000 2.233) 2.240 33.954 ( 1.666 0.000 -2.455) 2.967 ======================= Grid point 205 (102/115) ======================= q-point: (-0.44 -0.56 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.731 ( -1.701 3.857 7.940) 8.990 1.790 ( 2.312 -4.733 1.845) 5.582 1.893 ( -0.719 -1.942 5.228) 5.623 1.958 ( 1.886 -8.641 0.755) 8.877 2.075 ( -2.719 -1.188 0.640) 3.035 2.142 ( -1.314 -4.054 -5.567) 7.011 2.418 ( 4.601 -5.289 3.799) 7.974 2.502 ( -4.513 -8.790 -3.424) 10.457 2.740 ( 1.376 -13.613 -6.373) 15.094 2.793 ( 3.440 -9.343 -7.656) 12.559 3.192 ( 1.012 -6.561 3.197) 7.369 3.306 ( -4.187 -2.288 -6.090) 7.736 3.338 ( -1.835 2.090 5.249) 5.940 3.450 ( 0.723 -3.120 -3.906) 5.051 3.502 ( 6.255 -9.283 1.512) 11.295 3.516 ( -4.862 -12.466 -1.372) 13.450 3.792 ( -3.026 -2.646 2.360) 4.661 3.828 ( 2.507 -2.492 -1.566) 3.866 4.050 ( -3.698 1.058 -0.015) 3.847 4.115 ( 4.481 -0.799 -6.157) 7.657 4.492 ( 2.857 6.086 3.735) 7.691 4.542 ( -3.433 3.925 -0.303) 5.224 4.703 ( -1.509 -8.271 10.201) 13.219 4.815 ( -3.963 -0.938 1.729) 4.424 4.959 ( 0.097 -11.394 1.059) 11.444 5.105 ( 7.549 -19.162 -7.848) 22.040 5.221 ( -0.237 0.265 11.505) 11.510 5.326 ( 12.943 -6.797 3.511) 15.035 5.370 ( -2.309 1.577 2.802) 3.958 5.419 ( -5.229 -1.351 0.099) 5.401 5.495 ( -6.246 -6.873 -6.853) 11.542 5.616 ( -2.435 -1.910 -8.765) 9.295 5.750 ( 0.992 -3.103 -0.870) 3.372 5.788 ( -0.988 -5.072 -4.033) 6.555 6.611 ( -15.475 4.014 8.974) 18.334 6.699 ( 19.170 5.109 1.706) 19.912 8.254 ( -2.735 3.006 7.407) 8.449 8.466 ( -0.507 3.091 -11.498) 11.917 8.758 ( 1.638 -3.479 0.231) 3.852 8.761 ( -0.895 -4.556 0.127) 4.645 9.236 ( -1.500 -3.221 0.875) 3.659 9.270 ( 1.560 -2.819 -2.288) 3.952 12.858 ( -4.043 2.890 1.512) 5.195 12.883 ( 3.597 1.957 -0.837) 4.180 13.038 ( 3.056 3.229 2.196) 4.959 13.100 ( -2.542 4.854 -3.533) 6.520 14.107 ( -0.036 49.410 5.274) 49.690 14.213 ( 0.031 49.381 -4.574) 49.592 15.693 ( 0.705 -3.748 0.047) 3.814 15.694 ( -0.672 -3.809 -0.077) 3.869 16.308 ( -0.509 -8.420 2.016) 8.673 16.361 ( 0.822 -12.713 -2.950) 13.077 16.545 ( 0.062 -25.228 0.671) 25.237 16.551 ( -0.263 -21.517 0.206) 21.520 18.634 ( -1.548 2.434 2.755) 3.989 18.668 ( 2.345 2.736 -0.058) 3.604 18.881 ( -2.027 1.034 0.632) 2.362 18.919 ( 1.299 1.156 -2.501) 3.046 19.593 ( 0.063 8.255 0.283) 8.260 19.599 ( -0.049 7.877 -0.303) 7.883 21.771 ( -0.155 0.366 0.661) 0.771 21.782 ( 0.325 0.893 -0.296) 0.995 23.257 ( -0.869 -15.373 3.540) 15.800 23.335 ( 0.883 -16.814 -3.659) 17.230 26.836 ( 2.808 0.666 5.177) 5.927 26.895 ( -3.049 -2.683 -0.037) 4.062 27.944 ( -7.132 3.608 -0.171) 7.994 27.996 ( 7.330 3.585 -4.972) 9.555 31.153 ( 0.218 -6.326 3.715) 7.339 31.237 ( -0.237 -5.635 -3.957) 6.889 33.884 ( -0.920 1.921 2.964) 3.650 33.950 ( 0.924 0.159 -3.195) 3.330 ======================= Grid point 206 (103/115) ======================= q-point: (-0.33 -0.56 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.691 ( -0.985 4.890 9.369) 10.614 1.849 ( 3.391 3.173 -8.439) 9.633 1.977 ( 0.130 -5.302 5.285) 7.487 2.010 ( -0.828 -5.645 -0.914) 5.778 2.147 ( -6.908 -11.620 -2.541) 13.755 2.274 ( 3.357 -11.848 -0.665) 12.333 2.433 ( -10.869 -2.765 -2.234) 11.435 2.540 ( 1.519 -1.858 6.028) 6.488 2.827 ( 3.389 1.175 2.432) 4.333 2.956 ( 7.473 -3.972 -7.185) 11.102 3.190 ( -7.151 -0.022 -0.868) 7.203 3.340 ( 6.171 2.107 -2.787) 7.091 3.419 ( -2.506 -6.148 1.801) 6.879 3.498 ( 2.946 -6.014 5.357) 8.576 3.627 ( -7.276 -10.816 -2.288) 13.234 3.754 ( -1.114 -8.348 -1.239) 8.512 3.816 ( 0.228 -4.329 1.102) 4.473 3.974 ( 8.042 -3.465 -1.813) 8.942 4.005 ( -7.233 -7.740 0.343) 10.599 4.159 ( 1.945 -3.561 -4.738) 6.237 4.361 ( -4.584 3.967 -0.868) 6.124 4.452 ( 2.628 7.858 1.751) 8.469 4.767 ( -4.426 0.618 -0.153) 4.471 4.828 ( 2.249 -0.837 1.946) 3.090 5.064 ( -7.306 -1.366 3.102) 8.054 5.204 ( 1.315 -0.013 1.012) 1.659 5.280 ( -2.857 2.280 -0.639) 3.711 5.410 ( 4.464 -3.723 1.532) 6.011 5.443 ( 2.913 0.234 7.798) 8.328 5.522 ( -0.468 -1.281 -8.064) 8.178 5.609 ( -1.767 -9.729 2.877) 10.299 5.750 ( 6.252 -5.251 -2.722) 8.607 6.083 ( -4.634 -45.116 -2.159) 45.404 6.163 ( 2.022 -62.241 -0.442) 62.275 6.465 ( -7.566 -6.114 3.258) 10.258 6.756 ( 15.343 11.073 -2.118) 19.039 8.198 ( -4.536 5.389 9.468) 11.801 8.317 ( -2.030 6.305 -9.024) 11.195 8.849 ( 0.045 -7.490 -0.562) 7.511 8.862 ( 1.549 -6.908 0.599) 7.105 9.296 ( -1.149 -5.459 0.944) 5.658 9.333 ( 1.136 -4.501 -1.491) 4.876 12.768 ( -2.418 6.773 1.663) 7.381 12.854 ( 3.398 16.658 -2.340) 17.161 12.941 ( 0.367 10.140 -0.245) 10.149 12.959 ( 1.731 21.113 -0.050) 21.184 13.255 ( -1.406 52.391 3.691) 52.540 13.311 ( 0.938 52.674 -2.862) 52.760 15.767 ( -0.031 -5.963 -0.129) 5.965 15.788 ( 2.018 -6.294 0.072) 6.610 16.398 ( -0.937 -4.089 3.357) 5.372 16.455 ( 1.098 -4.886 -3.649) 6.196 17.012 ( -0.914 -32.625 0.502) 32.641 17.036 ( 1.032 -33.202 -0.344) 33.220 18.573 ( -2.244 4.047 1.422) 4.841 18.616 ( 0.444 5.561 -1.059) 5.679 18.848 ( -1.637 1.464 1.595) 2.714 18.901 ( 1.767 1.744 -1.674) 2.994 19.428 ( -0.405 12.603 0.878) 12.640 19.448 ( 0.589 11.076 -0.809) 11.121 21.758 ( -0.446 0.947 0.408) 1.123 21.775 ( 0.810 0.701 -0.370) 1.133 23.563 ( -2.067 -21.863 4.936) 22.508 23.658 ( 2.263 -24.529 -5.086) 25.153 26.831 ( -5.959 -2.135 1.327) 6.467 26.971 ( 6.940 -1.457 1.455) 7.239 27.802 ( -6.554 4.970 0.806) 8.264 27.964 ( 6.245 7.028 -3.594) 10.065 31.295 ( -1.113 -9.542 3.183) 10.121 31.321 ( -1.670 -8.950 -3.219) 9.657 33.849 ( -2.483 2.772 4.576) 5.898 33.938 ( 1.584 -0.081 -4.764) 5.021 ======================= Grid point 207 (104/115) ======================= q-point: (-0.22 -0.56 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.643 ( -2.024 4.697 4.092) 6.549 1.789 ( 4.030 2.865 -3.923) 6.312 2.059 ( -0.992 -2.782 -2.653) 3.970 2.100 ( -1.440 -6.268 2.826) 7.025 2.252 ( -9.844 -12.106 -1.294) 15.657 2.347 ( -2.131 -4.895 3.418) 6.339 2.526 ( 2.381 -8.271 2.086) 8.856 2.629 ( 3.239 -5.411 1.199) 6.420 2.828 ( 5.151 8.224 5.487) 11.148 2.960 ( 3.397 3.289 -5.792) 7.476 3.139 ( -3.683 2.633 2.179) 5.024 3.357 ( 8.950 1.672 -5.454) 10.614 3.399 ( -7.222 0.844 0.716) 7.306 3.619 ( 2.010 -0.469 -2.410) 3.173 3.663 ( -9.402 -9.876 4.129) 14.247 3.781 ( -6.413 -4.147 -0.640) 7.664 3.887 ( -1.342 2.144 2.778) 3.757 3.968 ( -1.584 -0.069 -0.337) 1.621 4.121 ( -9.017 -9.032 1.918) 12.906 4.212 ( 5.585 -7.741 -5.757) 11.147 4.329 ( 3.983 3.642 1.458) 5.590 4.464 ( 6.075 -3.080 -0.209) 6.815 4.706 ( -4.042 0.849 -0.768) 4.200 4.884 ( 2.695 -2.727 2.753) 4.720 5.011 ( -2.868 2.507 2.988) 4.841 5.142 ( 1.191 6.158 -5.674) 8.457 5.238 ( -1.940 -0.788 -2.061) 2.938 5.411 ( -3.268 2.503 0.443) 4.140 5.480 ( 1.337 0.725 -2.144) 2.628 5.565 ( 5.872 -1.074 5.879) 8.378 5.710 ( 1.596 -4.717 0.818) 5.046 5.825 ( 2.306 0.250 -1.985) 3.053 6.203 ( -5.920 0.520 0.574) 5.971 6.640 ( 5.244 11.863 -3.649) 13.474 7.294 ( -2.514 -78.638 0.692) 78.681 7.430 ( 6.208 -76.053 -1.578) 76.322 8.130 ( -4.726 -3.416 1.174) 5.949 8.203 ( -1.592 -5.770 2.235) 6.390 8.969 ( 1.096 -7.176 -0.780) 7.301 8.989 ( 1.394 -6.399 0.563) 6.573 9.376 ( -0.976 -5.281 0.950) 5.454 9.404 ( 0.543 -4.181 -0.970) 4.326 11.918 ( -0.968 82.516 -1.986) 82.545 11.928 ( -0.880 82.982 1.886) 83.008 12.734 ( -2.316 1.976 2.396) 3.874 12.905 ( 0.426 7.052 -2.421) 7.469 12.932 ( 2.867 1.546 0.307) 3.271 13.053 ( 3.576 6.544 -0.081) 7.458 15.863 ( 0.462 -5.815 0.167) 5.836 15.912 ( 2.475 -6.035 -0.174) 6.525 16.459 ( -1.409 -2.906 3.202) 4.548 16.516 ( 1.462 -4.001 -3.848) 5.740 17.469 ( -1.266 -26.890 0.350) 26.922 17.513 ( 1.380 -26.133 -0.439) 26.173 18.491 ( -1.981 4.131 0.611) 4.622 18.507 ( -1.271 6.569 -0.963) 6.760 18.822 ( -1.269 1.076 2.178) 2.741 18.883 ( 1.718 1.961 -1.361) 2.941 19.232 ( -0.856 12.324 1.644) 12.463 19.281 ( 1.450 10.444 -1.843) 10.704 21.744 ( -0.315 0.607 0.436) 0.811 21.770 ( 0.833 0.750 -0.629) 1.285 23.895 ( -3.345 -19.338 6.938) 20.815 24.021 ( 4.678 -20.496 -6.786) 22.092 26.815 ( -5.508 -3.942 -0.869) 6.829 27.076 ( 6.479 -0.942 2.669) 7.070 27.673 ( -4.511 4.828 1.822) 6.854 27.878 ( 4.237 8.196 -4.089) 10.092 31.420 ( -1.936 -7.927 -1.867) 8.371 31.437 ( -1.526 -8.067 2.003) 8.451 33.808 ( -4.297 1.466 6.185) 7.673 33.939 ( 3.772 -0.275 -5.899) 7.007 ======================= Grid point 208 (105/115) ======================= q-point: (-0.11 -0.56 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.577 ( -3.591 2.145 3.089) 5.200 1.777 ( 3.511 3.299 -0.415) 4.835 2.059 ( 1.120 0.686 -4.585) 4.769 2.109 ( -8.036 -4.402 0.836) 9.201 2.407 ( 5.326 0.121 3.401) 6.321 2.423 ( -1.515 -11.516 4.891) 12.603 2.633 ( -3.416 0.153 5.685) 6.634 2.744 ( 3.567 -5.226 -2.203) 6.700 2.791 ( 5.527 2.210 -4.904) 7.712 2.927 ( 1.698 3.901 -2.568) 4.969 3.038 ( -0.815 5.019 4.630) 6.877 3.294 ( -8.372 -2.218 -0.346) 8.668 3.416 ( 10.316 5.648 -2.213) 11.968 3.594 ( -4.885 1.253 -0.702) 5.092 3.692 ( -2.097 -1.581 -1.710) 3.134 3.789 ( -2.487 0.052 1.720) 3.024 3.807 ( -7.235 -4.393 2.645) 8.868 3.993 ( 0.594 -1.557 0.997) 1.942 4.135 ( -6.038 -4.201 -0.640) 7.384 4.304 ( 2.089 -1.375 0.221) 2.510 4.433 ( 6.375 -5.789 -1.134) 8.686 4.571 ( 2.735 -1.994 0.611) 3.439 4.644 ( -3.665 -0.044 1.016) 3.803 4.946 ( -0.293 2.798 1.988) 3.445 4.983 ( 0.576 1.529 0.377) 1.677 5.032 ( 2.676 2.995 -4.145) 5.771 5.204 ( -1.079 1.067 -5.002) 5.227 5.328 ( -2.718 2.319 -2.587) 4.412 5.464 ( 1.025 3.593 3.500) 5.119 5.665 ( 4.516 1.942 4.622) 6.747 5.781 ( -4.088 -2.550 -3.487) 5.948 5.831 ( 1.521 -7.652 0.150) 7.803 6.208 ( 2.161 -2.390 1.306) 3.477 6.477 ( 1.293 9.668 -3.670) 10.422 7.782 ( -4.567 -0.061 5.410) 7.080 7.874 ( 0.335 1.565 -4.266) 4.556 8.949 ( -0.631 -82.636 1.287) 82.649 9.044 ( 0.593 -22.072 -0.642) 22.089 9.086 ( 1.372 -9.831 0.604) 9.945 9.114 ( 5.228 -69.142 -0.646) 69.342 9.434 ( -1.046 -2.514 0.905) 2.870 9.452 ( 0.242 -1.986 -0.913) 2.200 10.534 ( -0.966 90.938 -3.779) 91.022 10.590 ( -2.286 89.497 4.883) 89.659 12.723 ( -1.683 -1.019 2.829) 3.446 12.828 ( -0.731 1.253 -0.862) 1.688 12.952 ( 2.228 -0.147 -0.638) 2.322 13.010 ( 2.427 2.809 -1.541) 4.019 15.944 ( 0.343 -3.459 0.754) 3.557 16.002 ( 1.238 -2.890 -0.758) 3.234 16.487 ( -1.802 -0.665 2.836) 3.426 16.558 ( 1.687 -1.991 -3.908) 4.700 17.768 ( -1.703 -12.101 -0.090) 12.220 17.816 ( 0.642 -10.838 -0.432) 10.865 18.407 ( -0.432 3.727 -0.010) 3.752 18.425 ( -0.827 2.728 0.474) 2.890 18.817 ( -1.084 -0.460 2.408) 2.681 18.862 ( 1.414 1.915 -1.348) 2.736 19.078 ( -1.243 6.245 1.264) 6.492 19.163 ( 1.832 4.811 -1.933) 5.499 21.737 ( -0.237 0.173 0.335) 0.445 21.765 ( 0.564 0.384 -0.656) 0.947 24.124 ( -5.520 -9.637 9.061) 14.333 24.259 ( 6.418 -7.043 -7.989) 12.435 26.822 ( -5.283 -4.682 -0.910) 7.117 27.157 ( 3.874 0.509 3.716) 5.392 27.587 ( -0.842 3.528 1.869) 4.080 27.784 ( 2.679 4.075 -6.080) 7.795 31.482 ( -0.847 -2.510 -0.743) 2.751 31.515 ( -0.720 -2.217 0.890) 2.495 33.789 ( -5.964 -1.172 7.098) 9.345 33.955 ( 5.562 0.624 -5.831) 8.082 ======================= Grid point 214 (106/115) ======================= q-point: (-0.44 -0.44 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 115 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.735 ( -2.832 -0.000 5.013) 5.757 1.754 ( -3.119 -0.000 -2.054) 3.735 1.847 ( -4.624 -0.000 1.590) 4.889 1.925 ( 2.132 0.000 0.245) 2.146 2.125 ( 2.161 0.000 9.514) 9.756 2.138 ( 2.834 0.000 2.559) 3.818 2.280 ( -7.468 -0.000 -6.303) 9.772 2.412 ( 2.116 0.000 -5.317) 5.723 2.555 ( -5.468 -0.000 -0.755) 5.520 2.613 ( -4.013 -0.000 -10.937) 11.650 3.163 ( 1.677 0.000 7.444) 7.630 3.219 ( -1.828 -0.000 -4.275) 4.649 3.379 ( -2.448 -0.000 -0.347) 2.472 3.455 ( 3.804 0.000 -2.384) 4.489 3.464 ( 7.452 0.000 5.945) 9.532 3.482 ( 7.504 0.000 -1.603) 7.674 3.743 ( -1.978 -0.000 1.402) 2.425 3.872 ( 9.375 0.000 -0.027) 9.375 3.961 ( -13.683 -0.000 -1.092) 13.727 4.133 ( 2.173 0.000 -3.027) 3.726 4.459 ( -11.211 -0.000 -0.237) 11.213 4.640 ( 4.751 0.000 6.521) 8.068 4.643 ( -2.379 -0.000 10.626) 10.889 4.775 ( -5.800 -0.000 2.641) 6.373 4.853 ( 1.439 0.000 -9.455) 9.564 4.948 ( 0.614 0.000 -7.844) 7.868 5.199 ( -12.044 -0.000 -5.239) 13.134 5.278 ( -2.003 -0.000 9.933) 10.133 5.399 ( 1.165 0.000 -7.162) 7.256 5.484 ( 10.578 0.000 6.072) 12.197 5.498 ( 3.164 0.000 9.303) 9.826 5.518 ( -2.427 -0.000 -8.645) 8.979 5.752 ( 3.114 0.000 1.213) 3.342 5.771 ( 6.362 0.000 -3.476) 7.250 6.511 ( -15.314 -0.000 4.701) 16.019 6.956 ( 20.213 0.000 -3.741) 20.557 8.287 ( -4.757 -0.000 11.197) 12.166 8.414 ( -2.105 -0.000 -9.328) 9.562 8.719 ( -0.303 -0.000 -0.268) 0.404 8.747 ( 1.521 0.000 -0.621) 1.643 9.199 ( -1.712 -0.000 1.270) 2.132 9.254 ( 1.813 0.000 -2.109) 2.782 12.848 ( -3.067 -0.000 1.135) 3.270 12.943 ( 5.001 0.000 -0.140) 5.003 13.087 ( -2.016 -0.000 -4.332) 4.778 13.122 ( 4.457 0.000 3.052) 5.402 14.569 ( -0.549 -0.000 5.241) 5.269 14.616 ( -0.723 -0.000 -4.937) 4.989 15.660 ( -0.105 -0.000 0.058) 0.120 15.671 ( 0.890 0.000 -0.041) 0.891 16.148 ( 0.434 0.000 -0.240) 0.496 16.157 ( 0.898 0.000 -0.745) 1.167 16.403 ( -0.360 -0.000 2.667) 2.691 16.431 ( 0.145 0.000 -1.907) 1.912 18.641 ( -3.130 -0.000 1.888) 3.656 18.711 ( 1.849 0.000 -1.444) 2.346 18.874 ( -1.754 -0.000 1.755) 2.481 18.933 ( 1.976 0.000 -1.857) 2.712 19.659 ( -0.293 -0.000 -0.222) 0.367 19.663 ( 0.212 0.000 0.166) 0.269 21.779 ( 0.187 0.000 0.712) 0.736 21.789 ( 0.292 0.000 -0.734) 0.790 23.143 ( -0.903 -0.000 3.106) 3.234 23.180 ( -0.387 -0.000 -3.136) 3.159 26.797 ( -6.805 -0.000 0.084) 6.805 26.950 ( 8.483 0.000 2.719) 8.908 27.885 ( -8.624 -0.000 0.747) 8.656 28.085 ( 7.962 0.000 -3.512) 8.702 31.120 ( -1.441 -0.000 4.117) 4.362 31.154 ( -2.083 -0.000 -4.240) 4.724 33.901 ( -1.548 -0.000 2.431) 2.882 33.939 ( -0.269 -0.000 -2.516) 2.531 ======================= Grid point 215 (107/115) ======================= q-point: (-0.33 -0.44 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.709 ( -3.233 -3.652 -1.893) 5.232 1.810 ( -5.586 -9.654 3.187) 11.600 1.910 ( -1.553 0.497 -4.348) 4.644 1.946 ( 0.737 -5.248 1.380) 5.476 2.060 ( 0.039 4.673 -0.729) 4.729 2.124 ( -6.551 -0.943 4.312) 7.899 2.289 ( 2.066 -7.300 -1.758) 7.788 2.521 ( -2.189 -5.676 6.908) 9.205 2.670 ( -5.319 -26.413 -11.454) 29.277 2.714 ( -2.194 -18.174 0.193) 18.307 3.151 ( -0.548 5.765 0.174) 5.793 3.300 ( 1.879 -7.471 2.324) 8.046 3.412 ( 0.851 -2.507 4.007) 4.803 3.470 ( 2.118 0.655 -0.749) 2.341 3.525 ( 6.087 -1.312 0.387) 6.239 3.652 ( 2.551 -5.946 1.814) 6.719 3.753 ( -8.057 -3.175 2.158) 8.925 3.788 ( -7.698 -2.505 -2.506) 8.474 4.028 ( 10.063 -3.054 -1.052) 10.569 4.121 ( -0.598 0.079 -2.630) 2.698 4.334 ( -5.691 0.570 0.663) 5.758 4.602 ( -0.457 7.494 2.375) 7.875 4.718 ( -6.515 -0.101 1.583) 6.705 4.812 ( -1.229 -2.795 1.750) 3.519 4.887 ( -1.632 -18.506 6.066) 19.543 5.068 ( -0.497 -18.083 -9.895) 20.619 5.132 ( -4.232 -10.202 -7.989) 13.632 5.307 ( -2.084 0.117 2.759) 3.460 5.363 ( 1.621 -2.020 -4.500) 5.191 5.467 ( -2.006 -1.767 -5.875) 6.454 5.559 ( 1.842 0.411 9.340) 9.528 5.641 ( 3.196 -8.256 7.160) 11.386 5.794 ( 4.274 -0.136 1.386) 4.495 5.903 ( 13.508 -2.468 0.192) 13.733 6.362 ( -11.239 1.125 -0.731) 11.318 7.055 ( 16.210 8.214 -9.016) 20.286 8.270 ( -6.637 4.072 11.250) 13.681 8.313 ( -4.551 2.803 -3.953) 6.648 8.755 ( 1.214 -4.554 -0.934) 4.805 8.795 ( 1.874 -4.197 -0.120) 4.598 9.217 ( -1.607 -3.529 1.679) 4.226 9.282 ( 1.535 -2.572 -1.630) 3.410 12.809 ( -2.016 2.477 1.809) 3.671 12.987 ( 4.842 1.303 -0.186) 5.018 13.014 ( 0.167 4.695 -3.937) 6.130 13.155 ( 5.077 4.939 2.257) 7.434 14.141 ( -1.416 49.236 -2.858) 49.339 14.156 ( -1.069 49.356 2.794) 49.446 15.696 ( 1.065 -3.891 -0.062) 4.035 15.729 ( 2.507 -4.661 -0.027) 5.293 16.323 ( -0.228 -9.774 2.036) 9.986 16.346 ( 0.834 -10.533 -2.517) 10.861 16.545 ( -0.467 -22.042 -0.082) 22.047 16.557 ( 0.499 -24.974 0.302) 24.981 18.593 ( -4.003 2.006 0.920) 4.571 18.681 ( 0.212 3.597 -3.218) 4.831 18.865 ( -1.156 1.172 3.243) 3.637 18.939 ( 2.349 1.178 -1.183) 2.881 19.593 ( -0.179 7.446 -0.307) 7.454 19.597 ( 0.012 8.465 0.285) 8.470 21.772 ( -0.056 1.096 0.030) 1.098 21.790 ( 0.774 0.223 -0.436) 0.916 23.270 ( -1.793 -15.138 3.488) 15.638 23.308 ( 0.796 -18.492 -3.525) 18.842 26.737 ( -5.788 -1.262 -0.514) 5.946 27.057 ( 8.931 -0.297 0.388) 8.944 27.784 ( -8.449 2.092 3.309) 9.312 28.111 ( 6.799 5.058 -3.091) 9.021 31.151 ( -3.293 -6.316 -3.630) 7.994 31.168 ( -2.940 -6.201 3.689) 7.791 33.877 ( -2.662 1.888 2.446) 4.079 33.925 ( 0.123 -0.676 -2.437) 2.532 ======================= Grid point 216 (108/115) ======================= q-point: (-0.22 -0.44 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.718 ( -0.994 1.257 -3.825) 4.148 1.803 ( -4.826 1.096 -4.019) 6.375 1.880 ( -10.519 -9.445 4.609) 14.869 2.010 ( 0.843 -4.333 -5.281) 6.883 2.078 ( 3.230 -4.269 3.618) 6.461 2.212 ( 1.556 -9.378 2.859) 9.927 2.474 ( 3.297 -7.584 3.698) 9.059 2.594 ( -0.814 -4.161 4.307) 6.044 2.883 ( -2.306 -10.677 -2.844) 11.288 2.983 ( -7.351 -6.693 0.942) 9.986 3.076 ( 5.419 -1.241 3.152) 6.391 3.324 ( -16.192 0.272 0.886) 16.219 3.386 ( 0.767 -2.159 -4.914) 5.422 3.505 ( 5.438 0.160 -0.458) 5.459 3.619 ( -6.605 -4.500 4.823) 9.335 3.700 ( 3.548 -2.574 0.785) 4.453 3.811 ( -4.527 -13.921 2.110) 14.790 3.897 ( 3.405 -3.662 3.753) 6.252 3.962 ( -11.224 3.169 -0.562) 11.676 4.162 ( 6.529 -3.731 -3.994) 8.515 4.406 ( 5.896 -0.465 -2.888) 6.581 4.523 ( 3.133 2.802 3.388) 5.399 4.667 ( -4.642 -0.267 0.871) 4.731 4.831 ( -1.297 -4.607 1.104) 4.912 5.023 ( 0.343 0.102 -2.848) 2.870 5.159 ( -2.035 -1.579 -4.909) 5.544 5.229 ( -0.517 3.223 -5.847) 6.696 5.373 ( -2.459 -9.572 -2.165) 10.117 5.408 ( 0.015 -2.072 -3.450) 4.025 5.618 ( 0.713 1.399 7.774) 7.931 5.740 ( 3.540 -27.068 3.212) 27.487 5.791 ( 2.305 -0.153 1.892) 2.986 6.104 ( 6.923 -20.518 0.441) 21.659 6.152 ( -3.673 -34.836 1.720) 35.072 6.379 ( -1.309 -31.025 -2.096) 31.123 6.987 ( 12.010 7.421 -10.821) 17.788 8.129 ( -7.023 5.906 -0.953) 9.226 8.215 ( -7.341 4.645 9.615) 12.958 8.865 ( 2.169 -7.293 -0.691) 7.640 8.904 ( 1.779 -6.751 0.250) 6.986 9.284 ( -1.335 -5.637 1.867) 6.087 9.341 ( 1.047 -4.051 -1.084) 4.322 12.756 ( -0.905 4.881 2.761) 5.681 12.869 ( 0.730 19.060 -1.532) 19.136 12.975 ( 2.520 24.711 -1.602) 24.890 13.024 ( 3.828 20.881 0.684) 21.240 13.245 ( -0.641 52.964 -0.529) 52.971 13.321 ( 0.914 39.130 0.415) 39.143 15.789 ( 2.118 -5.550 0.244) 5.945 15.848 ( 3.431 -6.096 -0.361) 7.004 16.412 ( -0.970 -3.615 2.489) 4.495 16.439 ( 1.150 -5.108 -3.032) 6.050 16.994 ( -1.391 -32.183 0.501) 32.217 17.063 ( 2.139 -33.800 -0.789) 33.876 18.515 ( -3.966 2.767 0.426) 4.855 18.577 ( -1.937 5.884 -2.899) 6.839 18.847 ( -1.084 2.000 3.296) 4.005 18.932 ( 2.302 2.219 -0.915) 3.326 19.429 ( -0.470 12.700 0.577) 12.722 19.449 ( 0.514 10.435 -0.849) 10.482 21.756 ( -0.026 0.924 0.326) 0.980 21.788 ( 0.993 0.810 -0.855) 1.540 23.567 ( -2.782 -22.048 4.668) 22.707 23.682 ( 6.231 -26.490 -5.143) 27.695 26.710 ( -4.080 -2.473 -0.035) 4.771 27.150 ( 7.698 -0.565 -1.713) 7.907 27.690 ( -6.533 2.888 6.022) 9.343 28.030 ( 2.890 9.565 -4.146) 10.818 31.230 ( -3.324 -10.529 -2.440) 11.308 31.278 ( -3.593 -9.900 2.662) 10.863 33.824 ( -3.648 2.443 3.418) 5.564 33.947 ( 4.007 -1.701 -3.480) 5.573 ======================= Grid point 217 (109/115) ======================= q-point: (-0.11 -0.44 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.631 ( 1.003 5.515 -1.599) 5.829 1.751 ( -10.437 -6.541 -0.589) 12.331 1.968 ( -1.173 -5.071 4.615) 6.956 2.031 ( 2.491 -1.523 -5.957) 6.634 2.274 ( 2.699 -11.717 4.757) 12.930 2.413 ( 1.584 -7.795 2.514) 8.342 2.520 ( -5.631 -4.627 1.461) 7.433 2.730 ( 3.453 -3.628 2.720) 5.700 2.850 ( -5.279 1.843 0.602) 5.624 2.968 ( -0.459 0.632 -2.510) 2.629 3.133 ( -9.403 3.759 3.348) 10.666 3.195 ( 4.230 -0.983 4.154) 6.010 3.419 ( -7.544 -4.162 -6.580) 10.842 3.518 ( -0.154 -3.800 -3.217) 4.981 3.672 ( 2.903 -0.379 3.729) 4.741 3.756 ( 2.461 -0.319 0.199) 2.489 3.824 ( -3.354 1.277 2.005) 4.111 3.944 ( -1.689 -4.027 1.508) 4.620 4.017 ( -1.676 -6.411 5.523) 8.626 4.302 ( 4.143 -3.461 0.162) 5.401 4.406 ( 1.997 -3.024 1.124) 3.795 4.587 ( 4.872 -0.247 -0.798) 4.943 4.619 ( -3.612 0.992 0.219) 3.752 4.930 ( -1.100 -5.236 1.204) 5.484 4.983 ( -0.889 0.474 -3.879) 4.008 5.080 ( -0.261 4.264 -4.751) 6.389 5.168 ( -0.344 0.231 -4.932) 4.950 5.342 ( 0.198 2.469 -2.961) 3.861 5.503 ( 1.140 -5.395 -5.035) 7.467 5.616 ( -2.131 0.359 3.477) 4.094 5.818 ( 0.868 0.648 2.509) 2.733 5.867 ( 5.983 5.371 3.598) 8.808 6.208 ( 2.715 -1.571 2.168) 3.812 6.571 ( -5.426 4.875 -5.258) 8.992 7.242 ( -3.303 -75.330 1.299) 75.414 7.558 ( 7.747 -59.106 -4.673) 59.795 8.010 ( -4.945 -8.042 -1.470) 9.554 8.217 ( -3.159 -18.271 6.244) 19.565 8.991 ( 1.205 -6.580 -0.532) 6.710 9.023 ( 1.117 -5.970 0.512) 6.095 9.368 ( -1.108 -5.133 1.735) 5.530 9.408 ( 0.854 -3.674 -0.650) 3.827 11.868 ( -0.114 83.806 -2.738) 83.851 11.935 ( -2.276 83.293 3.315) 83.390 12.740 ( -0.462 2.074 3.729) 4.292 12.866 ( -1.073 5.167 0.014) 5.277 13.019 ( 4.269 5.240 -1.887) 7.018 13.118 ( 3.123 8.171 -1.313) 8.846 15.899 ( 2.215 -4.723 0.879) 5.290 15.960 ( 2.371 -4.315 -0.939) 5.012 16.461 ( -1.338 -2.477 2.493) 3.760 16.506 ( 1.480 -4.053 -3.309) 5.438 17.441 ( -1.403 -26.589 0.484) 26.631 17.550 ( 2.817 -25.153 -1.053) 25.332 18.440 ( -2.984 1.927 0.180) 3.557 18.455 ( -2.317 4.455 -1.049) 5.130 18.825 ( -1.171 1.313 2.644) 3.176 18.910 ( 1.976 2.757 -1.058) 3.553 19.225 ( -1.137 12.585 0.701) 12.656 19.291 ( 1.153 10.010 -1.322) 10.163 21.746 ( 0.035 0.806 0.428) 0.913 21.778 ( 0.701 0.972 -0.961) 1.536 23.889 ( -4.071 -19.083 6.242) 20.487 24.115 ( 12.074 -19.117 -7.805) 23.920 26.726 ( -1.994 -2.953 1.810) 3.996 27.218 ( 5.330 -0.541 -2.245) 5.808 27.627 ( -3.911 2.759 6.814) 8.327 27.852 ( -2.277 9.000 -5.872) 10.985 31.356 ( -2.239 -10.293 -1.153) 10.597 31.407 ( -3.005 -9.374 1.379) 9.940 33.771 ( -4.833 1.618 5.432) 7.449 34.015 ( 9.842 -0.181 -6.266) 11.669 ======================= Grid point 224 (110/115) ======================= q-point: (-0.33 -0.33 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 115 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.500 ( -12.721 -0.000 -7.674) 14.856 1.675 ( -14.945 -0.000 5.402) 15.892 1.840 ( -6.338 -0.000 0.610) 6.367 1.888 ( 0.902 0.000 7.416) 7.471 2.022 ( 0.593 0.000 -10.658) 10.675 2.183 ( -0.710 -0.000 -15.920) 15.936 2.263 ( 1.047 0.000 -0.129) 1.055 2.306 ( 5.054 0.000 2.807) 5.781 2.458 ( -9.288 -0.000 11.969) 15.150 2.538 ( -0.189 -0.000 4.995) 4.998 3.231 ( 3.124 0.000 1.256) 3.367 3.270 ( -0.644 -0.000 -3.448) 3.507 3.391 ( -16.804 -0.000 12.558) 20.978 3.482 ( 2.089 0.000 -3.674) 4.226 3.525 ( -4.380 -0.000 4.961) 6.618 3.572 ( 1.420 0.000 -4.190) 4.424 3.671 ( -1.018 -0.000 3.006) 3.174 3.821 ( 10.110 0.000 0.884) 10.149 4.008 ( -9.357 -0.000 -2.759) 9.755 4.134 ( 4.848 0.000 -2.480) 5.445 4.339 ( 6.820 0.000 2.033) 7.117 4.613 ( -11.309 -0.000 5.074) 12.395 4.659 ( -6.370 -0.000 6.987) 9.455 4.776 ( 1.540 0.000 3.562) 3.880 4.796 ( 5.846 0.000 -10.918) 12.385 4.815 ( 0.499 0.000 -8.915) 8.929 5.017 ( 0.671 0.000 -8.878) 8.903 5.299 ( -1.293 -0.000 -0.418) 1.359 5.380 ( 2.151 0.000 -2.424) 3.241 5.393 ( -3.342 -0.000 -0.961) 3.478 5.598 ( -0.913 -0.000 5.574) 5.648 5.675 ( 2.431 0.000 7.739) 8.112 5.868 ( 5.135 0.000 4.040) 6.534 6.058 ( 14.198 0.000 2.394) 14.399 6.242 ( -8.603 -0.000 -5.902) 10.433 7.209 ( 12.676 0.000 -15.912) 20.344 8.240 ( -6.990 -0.000 -3.714) 7.915 8.323 ( -8.052 -0.000 17.307) 19.088 8.741 ( 4.119 0.000 -0.717) 4.180 8.781 ( 2.146 0.000 -0.463) 2.195 9.183 ( -1.765 -0.000 2.684) 3.212 9.270 ( 1.508 0.000 -1.358) 2.029 12.824 ( -1.214 -0.000 2.759) 3.014 12.994 ( -1.362 -0.000 -1.738) 2.208 13.089 ( 7.658 0.000 -2.506) 8.058 13.268 ( 6.185 0.000 1.736) 6.424 14.530 ( -1.808 -0.000 -4.925) 5.246 14.599 ( -1.864 -0.000 4.429) 4.806 15.679 ( 1.916 0.000 0.295) 1.938 15.700 ( 2.099 0.000 -0.491) 2.155 16.169 ( 1.365 0.000 0.127) 1.370 16.172 ( 0.789 0.000 -0.238) 0.824 16.411 ( 0.116 0.000 -2.149) 2.152 16.419 ( -0.672 -0.000 1.859) 1.977 18.562 ( -5.096 -0.000 0.419) 5.114 18.681 ( -0.824 -0.000 -5.766) 5.824 18.896 ( 0.166 0.000 5.021) 5.024 18.970 ( 2.653 0.000 -0.803) 2.772 19.649 ( -0.562 -0.000 -0.052) 0.565 19.668 ( 0.043 0.000 0.176) 0.181 21.784 ( 0.221 0.000 -1.114) 1.136 21.794 ( 0.750 0.000 0.042) 0.752 23.129 ( -1.078 -0.000 -2.698) 2.906 23.145 ( -2.110 -0.000 2.796) 3.503 26.672 ( -4.308 -0.000 0.592) 4.348 27.140 ( 8.535 0.000 -4.532) 9.663 27.740 ( -8.159 -0.000 8.092) 11.491 28.209 ( 6.503 0.000 -3.679) 7.472 31.037 ( -4.355 -0.000 -3.351) 5.495 31.099 ( -4.543 -0.000 3.511) 5.742 33.878 ( -3.035 -0.000 2.290) 3.802 33.891 ( -1.513 -0.000 -2.229) 2.694 ======================= Grid point 225 (111/115) ======================= q-point: (-0.22 -0.33 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.467 ( -16.731 -8.540 -1.530) 18.847 1.610 ( -11.616 -17.336 -0.266) 20.869 1.849 ( 1.990 0.614 -0.921) 2.277 1.943 ( 3.304 0.159 -7.647) 8.332 2.089 ( 4.309 -4.520 3.957) 7.393 2.204 ( 0.802 -3.516 -4.050) 5.423 2.309 ( -0.238 -23.258 3.241) 23.484 2.426 ( -10.782 -9.232 7.355) 15.986 2.564 ( 0.167 -11.116 3.940) 11.795 2.707 ( -1.936 -17.054 4.657) 17.784 3.075 ( -25.624 1.174 7.173) 26.635 3.221 ( 1.001 3.515 -0.100) 3.657 3.345 ( 0.808 -0.449 -1.014) 1.372 3.502 ( -4.359 0.673 -2.921) 5.290 3.530 ( -2.028 -5.525 -2.475) 6.385 3.654 ( -2.643 -2.602 -0.391) 3.729 3.716 ( 7.678 -6.190 10.445) 14.365 3.865 ( -12.865 0.840 1.998) 13.046 3.960 ( 9.510 -1.214 2.321) 9.865 4.168 ( 5.345 -1.346 -4.139) 6.893 4.437 ( 6.136 -0.385 -6.458) 8.917 4.574 ( -5.875 -3.535 12.359) 14.133 4.652 ( 0.649 3.819 1.011) 4.003 4.777 ( 1.317 -3.683 -6.252) 7.374 4.849 ( -2.805 -17.083 -9.215) 19.611 5.007 ( 3.828 -7.110 -8.987) 12.082 5.040 ( 1.908 -15.533 1.964) 15.773 5.252 ( -0.159 2.266 -5.107) 5.589 5.381 ( 3.481 -2.658 -2.096) 4.855 5.406 ( -0.539 -2.457 0.147) 2.519 5.681 ( -0.421 -6.316 7.793) 10.040 5.721 ( 0.553 -2.186 2.062) 3.056 5.954 ( 5.321 -0.326 6.623) 8.502 6.136 ( -3.198 -2.390 -8.840) 9.699 6.201 ( 8.566 0.746 4.730) 9.813 7.146 ( 6.852 8.117 -17.775) 20.707 8.113 ( -8.805 3.552 -0.636) 9.516 8.271 ( -10.555 5.641 13.997) 18.416 8.813 ( 3.898 -2.751 -0.225) 4.776 8.839 ( 2.475 -4.236 0.143) 4.908 9.211 ( -1.519 -3.534 3.366) 5.111 9.300 ( 1.633 -2.288 -0.607) 2.875 12.815 ( -0.622 2.287 4.091) 4.727 12.957 ( -0.681 2.233 -0.880) 2.494 13.131 ( 7.731 3.781 -2.973) 9.105 13.296 ( 6.253 6.107 0.297) 8.745 14.056 ( -1.651 48.329 -4.180) 48.538 14.164 ( -2.357 49.499 3.743) 49.697 15.743 ( 3.316 -4.451 0.162) 5.553 15.797 ( 3.993 -5.608 -0.543) 6.905 16.338 ( 1.106 -10.192 -1.538) 10.367 16.347 ( -0.060 -7.636 1.686) 7.820 16.524 ( -1.305 -22.281 -0.392) 22.323 16.571 ( 1.037 -26.786 -0.761) 26.817 18.496 ( -5.332 1.217 0.258) 5.476 18.600 ( -2.804 3.383 -5.996) 7.434 18.906 ( 0.320 3.134 5.108) 6.001 18.983 ( 2.640 1.460 -0.650) 3.086 19.582 ( -0.614 7.279 -0.214) 7.308 19.599 ( -0.111 8.401 0.243) 8.406 21.771 ( 0.168 0.754 -0.290) 0.825 21.804 ( 1.285 0.210 -0.887) 1.575 23.260 ( -2.551 -15.534 2.946) 16.015 23.308 ( 3.550 -24.065 -3.940) 24.643 26.658 ( -1.649 -1.226 3.076) 3.700 27.186 ( 5.920 -0.850 -8.105) 10.073 27.710 ( -5.491 1.828 11.807) 13.149 28.174 ( 2.343 8.341 -5.564) 10.297 31.030 ( -4.274 -7.416 -2.399) 8.889 31.114 ( -5.235 -6.527 2.644) 8.775 33.836 ( -3.248 1.671 2.100) 4.213 33.910 ( 1.362 -4.821 -2.571) 5.631 ======================= Grid point 226 (112/115) ======================= q-point: (-0.11 -0.33 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.429 ( -14.637 -11.452 1.529) 18.647 1.778 ( 3.738 7.652 -2.419) 8.852 1.831 ( -0.653 -15.153 0.463) 15.174 2.004 ( 0.290 -3.626 -3.017) 4.726 2.187 ( 4.211 -6.810 0.789) 8.045 2.291 ( 2.683 -8.704 -2.640) 9.483 2.381 ( -20.438 -1.738 11.301) 23.419 2.692 ( 4.833 -11.063 3.494) 12.568 2.700 ( -6.705 -8.504 -3.067) 11.256 2.911 ( -7.555 -3.724 8.012) 11.624 3.055 ( -2.728 -9.928 1.743) 10.443 3.217 ( -3.145 -7.082 -0.116) 7.750 3.330 ( 1.302 1.778 3.223) 3.905 3.428 ( -3.923 -2.191 -1.636) 4.782 3.566 ( -6.071 -7.373 -1.015) 9.604 3.703 ( -2.122 -4.700 -0.900) 5.234 3.782 ( -8.027 -5.108 8.123) 12.510 3.933 ( 7.980 -2.056 5.671) 10.003 4.061 ( 6.223 1.152 5.982) 8.708 4.274 ( 6.453 -6.384 -2.345) 9.375 4.423 ( 1.827 2.500 -2.954) 4.279 4.590 ( -4.776 -0.101 3.013) 5.648 4.658 ( 4.020 2.467 0.658) 4.762 4.821 ( -1.733 -5.068 -4.550) 7.028 4.916 ( 0.786 -4.565 -8.454) 9.640 5.080 ( 1.040 -1.271 -5.957) 6.179 5.163 ( 2.818 0.768 -7.299) 7.861 5.309 ( 0.545 -4.746 -5.682) 7.424 5.409 ( 0.925 -1.329 -1.204) 2.018 5.665 ( -0.457 0.662 -0.742) 1.094 5.796 ( 4.189 -15.518 5.843) 17.103 6.009 ( 5.053 -8.734 9.494) 13.854 6.037 ( -4.249 -41.202 -2.581) 41.501 6.267 ( 2.755 -1.004 3.800) 4.799 6.334 ( -0.785 -24.712 -1.083) 24.749 7.027 ( 6.061 -7.127 -14.243) 17.041 7.952 ( -9.088 4.020 0.654) 9.959 8.122 ( -11.630 3.627 7.827) 14.480 8.902 ( 1.026 -5.704 -0.348) 5.806 8.940 ( 0.822 -5.943 0.295) 6.007 9.286 ( -1.169 -5.308 3.333) 6.376 9.362 ( 1.928 -3.352 -0.067) 3.868 12.790 ( -0.182 5.473 4.917) 7.360 12.879 ( 1.071 13.734 0.385) 13.781 12.996 ( 1.717 40.380 -2.648) 40.504 13.098 ( 1.667 45.840 0.508) 45.873 13.238 ( 2.151 27.382 -2.726) 27.602 13.346 ( 0.589 32.108 0.781) 32.123 15.860 ( 3.688 -4.960 0.766) 6.228 15.915 ( 3.336 -4.721 -1.023) 5.871 16.415 ( -0.430 -3.472 1.117) 3.673 16.437 ( 0.940 -4.652 -1.489) 4.974 16.970 ( -1.321 -32.467 1.036) 32.510 17.111 ( 4.083 -34.878 -2.490) 35.204 18.424 ( -4.620 1.154 0.213) 4.766 18.471 ( -4.398 3.672 -3.428) 6.677 18.872 ( -0.633 3.972 4.171) 5.794 18.972 ( 2.277 2.889 -0.899) 3.787 19.415 ( -0.940 12.599 -0.075) 12.634 19.454 ( 0.454 10.155 -0.335) 10.170 21.764 ( 0.255 0.780 0.448) 0.935 21.799 ( 1.318 1.382 -1.410) 2.374 23.555 ( -2.873 -22.361 4.336) 22.958 23.827 ( 14.993 -31.167 -10.223) 36.065 26.714 ( 2.566 -1.815 6.674) 7.377 27.213 ( 3.733 -2.354 -8.208) 9.319 27.689 ( -3.671 3.746 11.579) 12.711 27.939 ( -6.851 13.174 -6.444) 16.187 31.137 ( -3.139 -12.420 -1.255) 12.872 31.210 ( -4.678 -10.945 1.477) 11.994 33.785 ( -3.725 2.217 3.955) 5.868 34.046 ( 11.222 -6.622 -7.948) 15.263 ======================= Grid point 234 (113/115) ======================= q-point: (-0.22 -0.22 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 115 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.073 ( -19.571 -0.000 -2.399) 19.717 1.258 ( -23.414 -0.000 9.133) 25.132 1.868 ( 2.426 0.000 -0.774) 2.547 1.925 ( 0.513 0.000 -9.242) 9.256 1.928 ( 1.856 0.000 -4.635) 4.992 2.158 ( 6.851 0.000 2.101) 7.166 2.249 ( -22.910 -0.000 18.386) 29.376 2.318 ( 3.090 0.000 -2.349) 3.881 2.496 ( -0.348 -0.000 9.087) 9.094 2.602 ( 0.527 0.000 1.142) 1.258 2.855 ( -19.087 -0.000 8.983) 21.095 3.312 ( -3.776 -0.000 3.536) 5.174 3.314 ( 0.988 0.000 -1.923) 2.162 3.362 ( -10.666 -0.000 -1.198) 10.733 3.473 ( 1.910 0.000 -5.292) 5.626 3.593 ( -2.369 -0.000 -3.541) 4.260 3.748 ( -12.747 -0.000 4.050) 13.375 3.805 ( 4.738 0.000 11.447) 12.389 4.054 ( 8.416 0.000 1.466) 8.543 4.183 ( 4.363 0.000 -4.536) 6.294 4.442 ( 2.804 0.000 -5.058) 5.784 4.530 ( -5.097 -0.000 -3.263) 6.052 4.579 ( -3.099 -0.000 12.818) 13.188 4.752 ( 2.747 0.000 -9.404) 9.797 4.867 ( 6.178 0.000 2.138) 6.538 4.868 ( 9.894 0.000 -10.095) 14.135 5.013 ( 2.082 0.000 -0.482) 2.137 5.237 ( -0.856 -0.000 -4.824) 4.899 5.397 ( 6.214 0.000 -4.441) 7.638 5.404 ( 1.543 0.000 -1.382) 2.071 5.634 ( -0.739 -0.000 3.526) 3.603 5.747 ( 0.527 0.000 -0.118) 0.540 6.039 ( -0.270 -0.000 -9.356) 9.360 6.051 ( 4.574 0.000 7.617) 8.885 6.326 ( 5.676 0.000 7.681) 9.551 7.156 ( 3.534 0.000 -19.752) 20.066 8.040 ( -10.722 -0.000 1.946) 10.897 8.275 ( -11.717 -0.000 9.895) 15.336 8.821 ( 1.529 0.000 0.137) 1.535 8.857 ( 3.726 0.000 -0.929) 3.840 9.190 ( -1.390 -0.000 4.792) 4.990 9.313 ( 4.090 0.000 1.110) 4.238 12.857 ( -0.326 -0.000 5.487) 5.497 12.962 ( -0.237 -0.000 -0.090) 0.253 13.229 ( 7.823 0.000 -3.502) 8.571 13.407 ( 6.067 0.000 -1.609) 6.277 14.441 ( -1.686 -0.000 -3.298) 3.704 14.589 ( -3.044 -0.000 3.090) 4.337 15.752 ( 3.695 0.000 -1.193) 3.883 15.756 ( 4.853 0.000 0.306) 4.862 16.181 ( -0.230 -0.000 0.781) 0.814 16.199 ( 1.241 0.000 -0.147) 1.249 16.387 ( 0.177 0.000 -2.332) 2.338 16.412 ( -1.518 -0.000 1.006) 1.821 18.446 ( -5.817 -0.000 0.299) 5.825 18.547 ( -4.545 -0.000 -7.579) 8.838 18.987 ( 2.666 0.000 5.091) 5.746 19.020 ( 2.655 0.000 -0.499) 2.701 19.634 ( -0.873 -0.000 0.253) 0.909 19.667 ( -0.265 -0.000 0.005) 0.265 21.776 ( 0.295 0.000 -0.712) 0.771 21.812 ( 1.319 0.000 -0.693) 1.490 23.080 ( -0.804 -0.000 -1.929) 2.090 23.119 ( -2.753 -0.000 2.026) 3.419 26.682 ( 2.773 0.000 7.435) 7.935 27.169 ( 2.924 0.000 -9.997) 10.416 27.757 ( -2.931 -0.000 13.705) 14.015 28.227 ( 0.318 0.000 -9.268) 9.274 30.911 ( -4.200 -0.000 -1.796) 4.568 31.014 ( -5.920 -0.000 2.064) 6.270 33.829 ( -3.508 -0.000 1.905) 3.992 33.833 ( -1.565 -0.000 -1.808) 2.391 ======================= Grid point 235 (114/115) ======================= q-point: (-0.11 -0.22 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.148 ( -15.735 -8.008 11.704) 21.183 1.394 ( -6.399 -40.151 -1.591) 40.689 1.843 ( -3.989 -1.902 -6.710) 8.035 1.945 ( 4.172 -1.752 0.157) 4.528 2.059 ( -13.807 -7.370 3.833) 16.114 2.131 ( -5.598 -8.045 4.585) 10.820 2.246 ( -5.672 -3.297 1.995) 6.857 2.476 ( 4.850 -17.727 6.551) 19.511 2.544 ( -5.872 -3.990 1.761) 7.315 2.737 ( 0.915 -17.740 6.624) 18.958 2.837 ( -3.250 -4.464 8.774) 10.368 3.197 ( -10.206 -0.065 0.167) 10.208 3.253 ( -1.182 1.081 2.176) 2.702 3.417 ( -0.499 -1.813 1.854) 2.641 3.512 ( 2.535 -2.843 -3.684) 5.300 3.542 ( -4.864 -3.868 -1.310) 6.351 3.669 ( -9.528 -3.330 3.697) 10.749 3.973 ( 2.289 -9.130 8.233) 12.505 4.145 ( 5.043 -1.033 1.266) 5.301 4.237 ( 4.768 -3.901 -3.145) 6.917 4.457 ( 3.944 -0.399 -3.135) 5.054 4.527 ( -6.628 -5.009 -1.562) 8.454 4.604 ( -0.446 -1.822 -2.724) 3.307 4.748 ( 2.377 -1.639 -3.778) 4.755 4.880 ( 6.118 1.034 -2.259) 6.603 5.022 ( 6.705 -4.992 -9.283) 12.492 5.097 ( 3.301 -8.254 1.680) 9.047 5.219 ( -0.525 -2.680 1.452) 3.093 5.405 ( 0.390 0.088 -1.499) 1.551 5.449 ( 6.341 -5.835 -9.865) 13.098 5.715 ( 0.273 -3.566 -2.586) 4.413 5.739 ( 0.763 -6.117 1.692) 6.392 6.050 ( 5.319 -3.246 -5.382) 8.234 6.139 ( 3.690 -1.246 5.723) 6.922 6.406 ( 3.631 2.717 10.315) 11.268 7.017 ( 1.233 7.290 -13.663) 15.535 7.906 ( -11.915 3.085 2.619) 12.584 8.102 ( -16.632 7.375 4.981) 18.863 8.846 ( -0.409 -1.763 -0.733) 1.953 8.873 ( -0.658 -3.076 -0.395) 3.171 9.232 ( -1.071 -3.092 5.352) 6.273 9.372 ( 4.841 0.356 0.871) 4.932 12.867 ( -0.462 2.261 6.420) 6.822 12.963 ( 0.992 1.214 1.118) 1.925 13.240 ( 6.017 6.184 -4.122) 9.562 13.402 ( 4.485 6.153 -3.277) 8.289 13.996 ( -0.159 47.748 -1.845) 47.784 14.140 ( -3.105 48.724 2.382) 48.881 15.835 ( 4.633 -4.579 0.383) 6.525 15.878 ( 4.114 -4.584 -0.904) 6.226 16.352 ( 1.524 -8.199 -0.830) 8.381 16.365 ( -0.140 -6.173 1.462) 6.345 16.488 ( -1.577 -23.564 0.165) 23.617 16.585 ( 2.218 -32.107 -2.945) 32.318 18.383 ( -5.267 0.417 0.336) 5.294 18.429 ( -6.474 1.773 -5.232) 8.510 18.984 ( 1.409 6.365 4.485) 7.913 19.032 ( 2.374 2.023 -0.432) 3.148 19.564 ( -0.806 7.600 0.062) 7.643 19.597 ( -0.246 7.806 -0.016) 7.810 21.778 ( 0.577 0.312 0.260) 0.705 21.825 ( 1.913 0.384 -1.478) 2.448 23.234 ( -2.534 -16.588 2.561) 16.974 23.374 ( 8.722 -34.733 -9.048) 36.937 26.811 ( 9.971 -0.903 11.217) 15.035 27.156 ( 2.184 -2.072 -8.464) 8.983 27.780 ( -2.853 3.209 11.864) 12.617 28.017 ( -9.974 13.437 -9.659) 19.322 30.929 ( -3.041 -8.385 -0.946) 8.969 31.018 ( -5.316 -7.180 1.155) 9.008 33.793 ( -3.055 0.978 2.483) 4.057 33.935 ( 5.661 -13.445 -6.952) 16.161 ======================= Grid point 244 (115/115) ======================= q-point: (-0.11 -0.11 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 115 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.783 ( -8.413 -0.000 13.311) 15.747 0.999 ( -15.710 -0.000 19.863) 25.325 1.667 ( -8.186 -0.000 -10.813) 13.563 1.904 ( -20.214 -0.000 29.102) 35.433 1.956 ( 3.972 0.000 -3.064) 5.016 2.064 ( 1.656 0.000 7.118) 7.308 2.109 ( -6.517 -0.000 -20.030) 21.064 2.447 ( 5.252 0.000 5.509) 7.611 2.566 ( -1.325 -0.000 4.302) 4.502 2.588 ( 0.506 0.000 6.860) 6.879 2.839 ( 2.749 0.000 8.366) 8.806 3.092 ( -6.296 -0.000 1.134) 6.397 3.232 ( -5.539 -0.000 -4.907) 7.400 3.386 ( -4.986 -0.000 12.064) 13.054 3.439 ( 1.787 0.000 -8.785) 8.965 3.544 ( 3.530 0.000 -3.736) 5.140 3.548 ( -7.667 -0.000 3.224) 8.317 3.865 ( -4.963 -0.000 0.564) 4.995 4.198 ( 0.548 0.000 4.946) 4.976 4.227 ( 4.663 0.000 -3.366) 5.751 4.448 ( -0.029 -0.000 -1.317) 1.318 4.495 ( 2.891 0.000 0.821) 3.005 4.621 ( -3.368 -0.000 6.837) 7.621 4.718 ( 4.278 0.000 -8.940) 9.911 4.884 ( 3.617 0.000 -12.062) 12.593 5.004 ( 3.751 0.000 -8.261) 9.072 5.165 ( 11.148 0.000 7.087) 13.210 5.205 ( -0.395 -0.000 2.054) 2.091 5.397 ( -0.131 -0.000 -2.285) 2.289 5.413 ( 2.836 0.000 -10.532) 10.907 5.650 ( 0.682 0.000 -1.614) 1.752 5.704 ( -1.228 -0.000 -5.744) 5.873 6.099 ( 11.574 0.000 -6.188) 13.125 6.180 ( -0.407 -0.000 3.478) 3.502 6.555 ( 7.538 0.000 13.884) 15.798 7.082 ( 9.062 0.000 -6.359) 11.071 7.810 ( -13.897 -0.000 3.413) 14.310 7.976 ( -22.789 -0.000 -1.728) 22.854 8.803 ( -3.759 -0.000 -1.580) 4.077 8.838 ( -0.553 -0.000 0.477) 0.730 9.234 ( -0.909 -0.000 7.118) 7.175 9.459 ( 7.255 0.000 -2.878) 7.804 12.920 ( -0.801 -0.000 6.505) 6.554 12.982 ( 1.271 0.000 1.401) 1.892 13.329 ( 5.333 0.000 -3.952) 6.638 13.466 ( 2.669 0.000 -4.820) 5.510 14.406 ( 0.751 0.000 -0.415) 0.858 14.541 ( -3.745 -0.000 1.459) 4.019 15.838 ( 5.153 0.000 -0.296) 5.162 15.875 ( 5.283 0.000 0.059) 5.283 16.182 ( -1.394 -0.000 2.197) 2.602 16.211 ( 0.492 0.000 -1.190) 1.288 16.372 ( 0.865 0.000 -2.067) 2.240 16.381 ( -2.108 -0.000 0.838) 2.269 18.333 ( -4.678 -0.000 0.362) 4.692 18.339 ( -6.962 -0.000 -3.329) 7.717 19.069 ( 2.124 0.000 -0.141) 2.129 19.098 ( 3.018 0.000 1.270) 3.274 19.622 ( -0.580 -0.000 0.715) 0.921 19.658 ( -0.391 -0.000 -0.329) 0.511 21.794 ( 1.181 0.000 1.000) 1.548 21.834 ( 1.544 0.000 -1.093) 1.891 23.055 ( 0.194 0.000 -1.201) 1.216 23.080 ( -2.493 -0.000 1.227) 2.779 27.018 ( 16.814 0.000 10.037) 19.582 27.122 ( 2.907 0.000 -6.203) 6.850 27.836 ( -4.156 -0.000 10.083) 10.906 27.958 ( -12.119 -0.000 -11.575) 16.759 30.831 ( -1.841 -0.000 -0.363) 1.877 30.910 ( -4.774 -0.000 0.575) 4.809 33.780 ( -2.717 -0.000 1.536) 3.121 33.790 ( -0.511 -0.000 -1.454) 1.541 =================== 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 3/29160 10.0 283.876 168.482 253.867 0.000 66.107 0.000 3/29160 20.0 28.536 28.809 30.597 0.000 4.088 0.000 3/29160 30.0 9.886 11.804 10.795 0.000 1.190 0.000 3/29160 40.0 5.386 6.915 5.892 0.000 0.559 0.000 3/29160 50.0 3.628 4.893 3.966 0.000 0.328 0.000 3/29160 60.0 2.738 3.915 2.994 0.000 0.219 0.000 3/29160 70.0 2.211 3.427 2.419 0.000 0.159 0.000 3/29160 80.0 1.863 3.205 2.041 0.000 0.123 0.000 3/29160 90.0 1.616 3.133 1.772 0.000 0.099 0.000 3/29160 100.0 1.431 3.144 1.571 0.000 0.082 0.000 3/29160 110.0 1.288 3.194 1.414 0.000 0.070 0.000 3/29160 120.0 1.173 3.259 1.287 0.000 0.061 0.000 3/29160 130.0 1.078 3.323 1.184 0.000 0.054 0.000 3/29160 140.0 0.999 3.377 1.096 0.000 0.048 0.000 3/29160 150.0 0.932 3.418 1.022 0.000 0.044 0.000 3/29160 160.0 0.874 3.444 0.958 0.000 0.040 0.000 3/29160 170.0 0.823 3.456 0.902 0.000 0.036 0.000 3/29160 180.0 0.779 3.455 0.853 0.000 0.033 0.000 3/29160 190.0 0.740 3.443 0.809 0.000 0.031 0.000 3/29160 200.0 0.705 3.421 0.771 0.000 0.029 0.000 3/29160 210.0 0.674 3.391 0.736 0.000 0.027 0.000 3/29160 220.0 0.645 3.354 0.704 0.000 0.025 0.000 3/29160 230.0 0.620 3.313 0.676 0.000 0.024 0.000 3/29160 240.0 0.596 3.267 0.650 0.000 0.022 0.000 3/29160 250.0 0.575 3.219 0.626 0.000 0.021 0.000 3/29160 260.0 0.555 3.168 0.604 0.000 0.020 0.000 3/29160 270.0 0.537 3.116 0.583 0.000 0.019 0.000 3/29160 280.0 0.521 3.063 0.565 0.000 0.018 0.000 3/29160 290.0 0.505 3.010 0.547 0.000 0.017 0.000 3/29160 300.0 0.490 2.957 0.531 0.000 0.016 0.000 3/29160 310.0 0.477 2.903 0.516 0.000 0.016 0.000 3/29160 320.0 0.464 2.851 0.502 0.000 0.015 0.000 3/29160 330.0 0.452 2.799 0.488 0.000 0.014 0.000 3/29160 340.0 0.441 2.748 0.476 0.000 0.014 0.000 3/29160 350.0 0.430 2.697 0.464 0.000 0.013 0.000 3/29160 360.0 0.420 2.648 0.453 0.000 0.013 0.000 3/29160 370.0 0.411 2.600 0.442 0.000 0.012 0.000 3/29160 380.0 0.401 2.553 0.432 0.000 0.012 0.000 3/29160 390.0 0.393 2.507 0.423 0.000 0.011 0.000 3/29160 400.0 0.384 2.462 0.413 0.000 0.011 0.000 3/29160 410.0 0.377 2.418 0.405 0.000 0.011 0.000 3/29160 420.0 0.369 2.376 0.396 0.000 0.010 0.000 3/29160 430.0 0.362 2.334 0.388 0.000 0.010 0.000 3/29160 440.0 0.355 2.294 0.381 0.000 0.010 0.000 3/29160 450.0 0.348 2.255 0.373 0.000 0.009 0.000 3/29160 460.0 0.342 2.217 0.366 0.000 0.009 0.000 3/29160 470.0 0.336 2.180 0.360 0.000 0.009 0.000 3/29160 480.0 0.330 2.144 0.353 0.000 0.008 0.000 3/29160 490.0 0.324 2.108 0.347 0.000 0.008 0.000 3/29160 500.0 0.318 2.074 0.341 0.000 0.008 0.000 3/29160 510.0 0.313 2.041 0.335 0.000 0.008 0.000 3/29160 520.0 0.308 2.009 0.329 0.000 0.008 0.000 3/29160 530.0 0.303 1.978 0.324 0.000 0.007 0.000 3/29160 540.0 0.298 1.947 0.319 0.000 0.007 0.000 3/29160 550.0 0.293 1.917 0.314 0.000 0.007 0.000 3/29160 560.0 0.289 1.888 0.309 0.000 0.007 0.000 3/29160 570.0 0.285 1.860 0.304 0.000 0.007 0.000 3/29160 580.0 0.280 1.833 0.299 0.000 0.007 0.000 3/29160 590.0 0.276 1.806 0.295 0.000 0.006 0.000 3/29160 600.0 0.272 1.780 0.290 0.000 0.006 0.000 3/29160 610.0 0.268 1.755 0.286 0.000 0.006 0.000 3/29160 620.0 0.264 1.730 0.282 0.000 0.006 0.000 3/29160 630.0 0.261 1.706 0.278 0.000 0.006 0.000 3/29160 640.0 0.257 1.683 0.274 0.000 0.006 0.000 3/29160 650.0 0.254 1.660 0.270 0.000 0.006 0.000 3/29160 660.0 0.250 1.638 0.267 0.000 0.005 0.000 3/29160 670.0 0.247 1.616 0.263 0.000 0.005 0.000 3/29160 680.0 0.244 1.595 0.260 0.000 0.005 0.000 3/29160 690.0 0.241 1.574 0.256 0.000 0.005 0.000 3/29160 700.0 0.237 1.554 0.253 0.000 0.005 0.000 3/29160 710.0 0.234 1.534 0.250 0.000 0.005 0.000 3/29160 720.0 0.232 1.515 0.247 0.000 0.005 0.000 3/29160 730.0 0.229 1.496 0.244 0.000 0.005 0.000 3/29160 740.0 0.226 1.478 0.241 0.000 0.005 0.000 3/29160 750.0 0.223 1.460 0.238 0.000 0.005 0.000 3/29160 760.0 0.221 1.443 0.235 0.000 0.005 0.000 3/29160 770.0 0.218 1.426 0.232 0.000 0.004 0.000 3/29160 780.0 0.215 1.409 0.229 0.000 0.004 0.000 3/29160 790.0 0.213 1.393 0.227 0.000 0.004 0.000 3/29160 800.0 0.211 1.377 0.224 0.000 0.004 0.000 3/29160 810.0 0.208 1.361 0.222 0.000 0.004 0.000 3/29160 820.0 0.206 1.346 0.219 0.000 0.004 0.000 3/29160 830.0 0.204 1.331 0.217 0.000 0.004 0.000 3/29160 840.0 0.201 1.316 0.214 0.000 0.004 0.000 3/29160 850.0 0.199 1.302 0.212 0.000 0.004 0.000 3/29160 860.0 0.197 1.287 0.210 0.000 0.004 0.000 3/29160 870.0 0.195 1.274 0.207 0.000 0.004 0.000 3/29160 880.0 0.193 1.260 0.205 0.000 0.004 0.000 3/29160 890.0 0.191 1.247 0.203 0.000 0.004 0.000 3/29160 900.0 0.189 1.234 0.201 0.000 0.004 0.000 3/29160 910.0 0.187 1.221 0.199 0.000 0.004 0.000 3/29160 920.0 0.185 1.209 0.197 0.000 0.004 0.000 3/29160 930.0 0.183 1.197 0.195 0.000 0.004 0.000 3/29160 940.0 0.181 1.185 0.193 0.000 0.003 0.000 3/29160 950.0 0.180 1.173 0.191 0.000 0.003 0.000 3/29160 960.0 0.178 1.161 0.189 0.000 0.003 0.000 3/29160 970.0 0.176 1.150 0.187 0.000 0.003 0.000 3/29160 980.0 0.175 1.139 0.186 0.000 0.003 0.000 3/29160 990.0 0.173 1.128 0.184 0.000 0.003 0.000 3/29160 1000.0 0.171 1.117 0.182 0.000 0.003 0.000 3/29160 Thermal conductivity related properties were written into "kappa-m995.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 06:55:31]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|