----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 04:33:19]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 1 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) Number of symmetry operations in supercell: 8 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.311294310000071 0.000000000000000 0.000000000000000 b 0.000000000000000 8.295754320000002 0.000000000000000 c -5.150012834573392 0.000000000000000 12.726186686418380 Atomic positions (fractional): *1 O 0.23086976694901 0.90231536152642 0.89935818141614 15.999 2 O 0.76913023305099 0.40231536152642 0.60064181858386 15.999 3 O 0.76913023305099 0.09768463847358 0.10064181858386 15.999 4 O 0.23086976694901 0.59768463847358 0.39935818141614 15.999 *5 O 0.87845104977417 0.83206874146114 0.97599211136586 15.999 6 O 0.12154895022583 0.33206874146114 0.52400788863414 15.999 7 O 0.12154895022583 0.16793125853886 0.02400788863414 15.999 8 O 0.87845104977417 0.66793125853886 0.47599211136586 15.999 *9 O 0.39211562869741 0.80819629957187 0.08849596423106 15.999 10 O 0.60788437130259 0.30819629957187 0.41150403576895 15.999 11 O 0.60788437130259 0.19180370042813 0.91150403576895 15.999 12 O 0.39211562869741 0.69180370042813 0.58849596423105 15.999 *13 O 0.80733427369300 0.61556703062179 0.76366395262297 15.999 14 O 0.19266572630700 0.11556703062179 0.73633604737703 15.999 15 O 0.19266572630700 0.38443296937821 0.23633604737703 15.999 16 O 0.80733427369300 0.88443296937821 0.26366395262297 15.999 *17 O 0.17668861795535 0.88763438683858 0.44686808386742 15.999 18 O 0.82331138204465 0.38763438683858 0.05313191613258 15.999 19 O 0.82331138204465 0.11236561316142 0.55313191613258 15.999 20 O 0.17668861795535 0.61236561316142 0.94686808386742 15.999 *21 O 0.02315896053936 0.14305822737201 0.34578719918559 15.999 22 O 0.97684103946064 0.64305822737201 0.15421280081441 15.999 23 O 0.97684103946064 0.85694177262799 0.65421280081441 15.999 24 O 0.02315896053936 0.35694177262799 0.84578719918559 15.999 *25 O 0.29361294081058 0.93825573393258 0.28635238616907 15.999 26 O 0.70638705918942 0.43825573393258 0.21364761383093 15.999 27 O 0.70638705918942 0.06174426606742 0.71364761383093 15.999 28 O 0.29361294081058 0.56174426606742 0.78635238616907 15.999 *29 Mg 0.78471199482101 0.64813329536297 0.60822549243884 24.305 30 Mg 0.78471199482101 0.85186670463703 0.10822549243884 24.305 31 Mg 0.21528800517899 0.35186670463703 0.39177450756116 24.305 32 Mg 0.21528800517899 0.14813329536297 0.89177450756116 24.305 *33 P 0.92437105964242 0.03364984038588 0.66846837693941 30.974 *34 P 0.16542949581697 0.79875136678921 0.97979785809184 30.974 35 P 0.92437105964242 0.46635015961412 0.16846837693941 30.974 36 P 0.07562894035758 0.96635015961412 0.33153162306059 30.974 37 P 0.83457050418303 0.20124863321079 0.02020214190816 30.974 38 P 0.16542949581697 0.70124863321079 0.47979785809184 30.974 39 P 0.83457050418303 0.29875136678921 0.52020214190816 30.974 40 P 0.07562894035758 0.53364984038588 0.83153162306059 30.974 *41 Sr 0.49060241416637 0.83656026078327 0.77789284650257 87.620 42 Sr 0.50939758583363 0.33656026078328 0.72210715349743 87.620 43 Sr 0.50939758583363 0.16343973921672 0.22210715349743 87.620 44 Sr 0.49060241416637 0.66343973921673 0.27789284650257 87.620 -------------------------------- unit cell --------------------------------- Lattice vectors: a 5.311294310000071 0.000000000000000 0.000000000000000 b 0.000000000000000 8.295754320000002 0.000000000000000 c -5.150012834573392 0.000000000000000 12.726186686418380 Atomic positions (fractional): *1 O 0.23086976694901 0.90231536152642 0.89935818141614 15.999 > 1 2 O 0.76913023305099 0.40231536152642 0.60064181858386 15.999 > 2 3 O 0.76913023305099 0.09768463847358 0.10064181858386 15.999 > 3 4 O 0.23086976694901 0.59768463847358 0.39935818141614 15.999 > 4 *5 O 0.87845104977417 0.83206874146114 0.97599211136586 15.999 > 5 6 O 0.12154895022583 0.33206874146114 0.52400788863414 15.999 > 6 7 O 0.12154895022583 0.16793125853886 0.02400788863414 15.999 > 7 8 O 0.87845104977417 0.66793125853886 0.47599211136586 15.999 > 8 *9 O 0.39211562869741 0.80819629957187 0.08849596423106 15.999 > 9 10 O 0.60788437130259 0.30819629957187 0.41150403576895 15.999 > 10 11 O 0.60788437130259 0.19180370042813 0.91150403576895 15.999 > 11 12 O 0.39211562869741 0.69180370042813 0.58849596423105 15.999 > 12 *13 O 0.80733427369300 0.61556703062179 0.76366395262297 15.999 > 13 14 O 0.19266572630700 0.11556703062179 0.73633604737703 15.999 > 14 15 O 0.19266572630700 0.38443296937821 0.23633604737703 15.999 > 15 16 O 0.80733427369300 0.88443296937821 0.26366395262297 15.999 > 16 *17 O 0.17668861795535 0.88763438683858 0.44686808386742 15.999 > 17 18 O 0.82331138204465 0.38763438683858 0.05313191613258 15.999 > 18 19 O 0.82331138204465 0.11236561316142 0.55313191613258 15.999 > 19 20 O 0.17668861795535 0.61236561316142 0.94686808386742 15.999 > 20 *21 O 0.02315896053936 0.14305822737201 0.34578719918559 15.999 > 21 22 O 0.97684103946064 0.64305822737201 0.15421280081441 15.999 > 22 23 O 0.97684103946064 0.85694177262799 0.65421280081441 15.999 > 23 24 O 0.02315896053936 0.35694177262799 0.84578719918559 15.999 > 24 *25 O 0.29361294081058 0.93825573393258 0.28635238616907 15.999 > 25 26 O 0.70638705918942 0.43825573393258 0.21364761383093 15.999 > 26 27 O 0.70638705918942 0.06174426606742 0.71364761383093 15.999 > 27 28 O 0.29361294081058 0.56174426606742 0.78635238616907 15.999 > 28 *29 Mg 0.78471199482101 0.64813329536297 0.60822549243884 24.305 > 29 30 Mg 0.78471199482101 0.85186670463703 0.10822549243884 24.305 > 30 31 Mg 0.21528800517899 0.35186670463703 0.39177450756116 24.305 > 31 32 Mg 0.21528800517899 0.14813329536297 0.89177450756116 24.305 > 32 *33 P 0.92437105964242 0.03364984038588 0.66846837693941 30.974 > 33 *34 P 0.16542949581697 0.79875136678921 0.97979785809184 30.974 > 34 35 P 0.92437105964242 0.46635015961412 0.16846837693941 30.974 > 35 36 P 0.07562894035758 0.96635015961412 0.33153162306059 30.974 > 36 37 P 0.83457050418303 0.20124863321079 0.02020214190816 30.974 > 37 38 P 0.16542949581697 0.70124863321079 0.47979785809184 30.974 > 38 39 P 0.83457050418303 0.29875136678921 0.52020214190816 30.974 > 39 40 P 0.07562894035758 0.53364984038588 0.83153162306059 30.974 > 40 *41 Sr 0.49060241416637 0.83656026078327 0.77789284650257 87.620 > 41 42 Sr 0.50939758583363 0.33656026078328 0.72210715349743 87.620 > 42 43 Sr 0.50939758583363 0.16343973921672 0.22210715349743 87.620 > 43 44 Sr 0.49060241416637 0.66343973921673 0.27789284650257 87.620 > 44 -------------------------------- super cell -------------------------------- Lattice vectors: a 10.622588620000142 0.000000000000000 0.000000000000000 b 0.000000000000000 8.295754320000002 0.000000000000000 c -5.150012834573392 0.000000000000000 12.726186686418380 Atomic positions (fractional): *1 O 0.11543488347450 0.90231536152642 0.89935818141614 15.999 > 1 2 O 0.61543488347450 0.90231536152642 0.89935818141614 15.999 > 1 3 O 0.38456511652550 0.40231536152642 0.60064181858386 15.999 > 2 4 O 0.88456511652550 0.40231536152642 0.60064181858386 15.999 > 2 5 O 0.38456511652550 0.09768463847358 0.10064181858386 15.999 > 3 6 O 0.88456511652550 0.09768463847358 0.10064181858386 15.999 > 3 7 O 0.11543488347450 0.59768463847358 0.39935818141614 15.999 > 4 8 O 0.61543488347450 0.59768463847358 0.39935818141614 15.999 > 4 *9 O 0.43922552488708 0.83206874146114 0.97599211136586 15.999 > 5 10 O 0.93922552488708 0.83206874146114 0.97599211136586 15.999 > 5 11 O 0.06077447511291 0.33206874146114 0.52400788863414 15.999 > 6 12 O 0.56077447511292 0.33206874146114 0.52400788863414 15.999 > 6 13 O 0.06077447511291 0.16793125853886 0.02400788863414 15.999 > 7 14 O 0.56077447511292 0.16793125853886 0.02400788863414 15.999 > 7 15 O 0.43922552488708 0.66793125853886 0.47599211136586 15.999 > 8 16 O 0.93922552488708 0.66793125853886 0.47599211136586 15.999 > 8 *17 O 0.19605781434871 0.80819629957187 0.08849596423106 15.999 > 9 18 O 0.69605781434871 0.80819629957187 0.08849596423106 15.999 > 9 19 O 0.30394218565129 0.30819629957187 0.41150403576895 15.999 > 10 20 O 0.80394218565129 0.30819629957187 0.41150403576895 15.999 > 10 21 O 0.30394218565129 0.19180370042813 0.91150403576895 15.999 > 11 22 O 0.80394218565129 0.19180370042813 0.91150403576895 15.999 > 11 23 O 0.19605781434871 0.69180370042813 0.58849596423105 15.999 > 12 24 O 0.69605781434871 0.69180370042813 0.58849596423105 15.999 > 12 *25 O 0.40366713684650 0.61556703062179 0.76366395262297 15.999 > 13 26 O 0.90366713684650 0.61556703062179 0.76366395262297 15.999 > 13 27 O 0.09633286315350 0.11556703062179 0.73633604737703 15.999 > 14 28 O 0.59633286315350 0.11556703062179 0.73633604737703 15.999 > 14 29 O 0.09633286315350 0.38443296937821 0.23633604737703 15.999 > 15 30 O 0.59633286315350 0.38443296937821 0.23633604737703 15.999 > 15 31 O 0.40366713684650 0.88443296937821 0.26366395262297 15.999 > 16 32 O 0.90366713684650 0.88443296937821 0.26366395262297 15.999 > 16 *33 O 0.08834430897767 0.88763438683858 0.44686808386742 15.999 > 17 34 O 0.58834430897767 0.88763438683858 0.44686808386742 15.999 > 17 35 O 0.41165569102233 0.38763438683858 0.05313191613258 15.999 > 18 36 O 0.91165569102233 0.38763438683858 0.05313191613258 15.999 > 18 37 O 0.41165569102233 0.11236561316142 0.55313191613258 15.999 > 19 38 O 0.91165569102233 0.11236561316142 0.55313191613258 15.999 > 19 39 O 0.08834430897767 0.61236561316142 0.94686808386742 15.999 > 20 40 O 0.58834430897767 0.61236561316142 0.94686808386742 15.999 > 20 *41 O 0.01157948026968 0.14305822737201 0.34578719918559 15.999 > 21 42 O 0.51157948026968 0.14305822737201 0.34578719918559 15.999 > 21 43 O 0.48842051973032 0.64305822737201 0.15421280081441 15.999 > 22 44 O 0.98842051973032 0.64305822737201 0.15421280081441 15.999 > 22 45 O 0.48842051973032 0.85694177262799 0.65421280081441 15.999 > 23 46 O 0.98842051973032 0.85694177262799 0.65421280081441 15.999 > 23 47 O 0.01157948026968 0.35694177262799 0.84578719918559 15.999 > 24 48 O 0.51157948026968 0.35694177262799 0.84578719918559 15.999 > 24 *49 O 0.14680647040529 0.93825573393258 0.28635238616907 15.999 > 25 50 O 0.64680647040529 0.93825573393258 0.28635238616907 15.999 > 25 51 O 0.35319352959471 0.43825573393258 0.21364761383093 15.999 > 26 52 O 0.85319352959471 0.43825573393258 0.21364761383093 15.999 > 26 53 O 0.35319352959471 0.06174426606742 0.71364761383093 15.999 > 27 54 O 0.85319352959471 0.06174426606742 0.71364761383093 15.999 > 27 55 O 0.14680647040529 0.56174426606742 0.78635238616907 15.999 > 28 56 O 0.64680647040529 0.56174426606742 0.78635238616907 15.999 > 28 *57 Mg 0.39235599741051 0.64813329536297 0.60822549243884 24.305 > 29 58 Mg 0.89235599741051 0.64813329536297 0.60822549243884 24.305 > 29 59 Mg 0.39235599741051 0.85186670463703 0.10822549243884 24.305 > 30 60 Mg 0.89235599741051 0.85186670463703 0.10822549243884 24.305 > 30 61 Mg 0.10764400258949 0.35186670463703 0.39177450756116 24.305 > 31 62 Mg 0.60764400258949 0.35186670463703 0.39177450756116 24.305 > 31 63 Mg 0.10764400258949 0.14813329536297 0.89177450756116 24.305 > 32 64 Mg 0.60764400258949 0.14813329536297 0.89177450756116 24.305 > 32 *65 P 0.46218552982121 0.03364984038588 0.66846837693941 30.974 > 33 66 P 0.96218552982121 0.03364984038588 0.66846837693941 30.974 > 33 *67 P 0.08271474790849 0.79875136678921 0.97979785809184 30.974 > 34 68 P 0.58271474790849 0.79875136678921 0.97979785809184 30.974 > 34 69 P 0.46218552982121 0.46635015961412 0.16846837693941 30.974 > 35 70 P 0.96218552982121 0.46635015961412 0.16846837693941 30.974 > 35 71 P 0.03781447017879 0.96635015961412 0.33153162306059 30.974 > 36 72 P 0.53781447017879 0.96635015961412 0.33153162306059 30.974 > 36 73 P 0.41728525209151 0.20124863321079 0.02020214190816 30.974 > 37 74 P 0.91728525209151 0.20124863321079 0.02020214190816 30.974 > 37 75 P 0.08271474790849 0.70124863321079 0.47979785809184 30.974 > 38 76 P 0.58271474790849 0.70124863321079 0.47979785809184 30.974 > 38 77 P 0.41728525209151 0.29875136678921 0.52020214190816 30.974 > 39 78 P 0.91728525209151 0.29875136678921 0.52020214190816 30.974 > 39 79 P 0.03781447017879 0.53364984038588 0.83153162306059 30.974 > 40 80 P 0.53781447017879 0.53364984038588 0.83153162306059 30.974 > 40 *81 Sr 0.24530120708318 0.83656026078327 0.77789284650257 87.620 > 41 82 Sr 0.74530120708318 0.83656026078327 0.77789284650257 87.620 > 41 83 Sr 0.25469879291682 0.33656026078328 0.72210715349743 87.620 > 42 84 Sr 0.75469879291682 0.33656026078328 0.72210715349743 87.620 > 42 85 Sr 0.25469879291682 0.16343973921672 0.22210715349743 87.620 > 43 86 Sr 0.75469879291682 0.16343973921672 0.22210715349743 87.620 > 43 87 Sr 0.24530120708318 0.66343973921673 0.27789284650257 87.620 > 44 88 Sr 0.74530120708318 0.66343973921673 0.27789284650257 87.620 > 44 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.7277242 0.0000000 -0.0048258 0.0000000 2.7271225 0.0000000 -0.0048235 0.0000000 2.7011992 -------------------------- Born effective charges -------------------------- 1 O -1.4965322 -0.2354839 0.4425382 -0.2770040 -1.7085420 0.4160070 0.4077336 0.2364246 -1.6753137 2 O -1.4965322 0.2354839 0.4425382 0.2770040 -1.7085420 -0.4160070 0.4077336 -0.2364246 -1.6753137 3 O -1.4965322 -0.2354839 0.4425382 -0.2770040 -1.7085420 0.4160070 0.4077336 0.2364246 -1.6753137 4 O -1.4965322 0.2354839 0.4425382 0.2770040 -1.7085420 -0.4160070 0.4077336 -0.2364246 -1.6753137 5 O -2.1364343 0.1971581 0.0370515 0.2563434 -1.1715793 0.0423519 0.1460606 -0.1114146 -1.4131011 6 O -2.1364343 -0.1971581 0.0370515 -0.2563434 -1.1715793 -0.0423519 0.1460606 0.1114146 -1.4131011 7 O -2.1364343 0.1971581 0.0370515 0.2563434 -1.1715793 0.0423519 0.1460606 -0.1114146 -1.4131011 8 O -2.1364343 -0.1971581 0.0370515 -0.2563434 -1.1715793 -0.0423519 0.1460606 0.1114146 -1.4131011 9 O -1.5711979 -0.0656800 -0.3857364 -0.1051482 -1.1383648 0.0474041 -0.5059425 0.0127414 -2.1767282 10 O -1.5711979 0.0656800 -0.3857364 0.1051482 -1.1383648 -0.0474041 -0.5059425 -0.0127414 -2.1767282 11 O -1.5711979 -0.0656800 -0.3857364 -0.1051482 -1.1383648 0.0474041 -0.5059425 0.0127414 -2.1767282 12 O -1.5711979 0.0656800 -0.3857364 0.1051482 -1.1383648 -0.0474041 -0.5059425 -0.0127414 -2.1767282 13 O -1.7656796 0.3296814 -0.3462165 0.2787722 -1.5783750 0.0951338 -0.3762422 0.1945119 -1.5948144 14 O -1.7656796 -0.3296814 -0.3462165 -0.2787722 -1.5783750 -0.0951338 -0.3762422 -0.1945119 -1.5948144 15 O -1.7656796 0.3296814 -0.3462165 0.2787722 -1.5783750 0.0951338 -0.3762422 0.1945119 -1.5948144 16 O -1.7656796 -0.3296814 -0.3462165 -0.2787722 -1.5783750 -0.0951338 -0.3762422 -0.1945119 -1.5948144 17 O -0.8695770 -0.1589729 0.1163645 -0.1766467 -2.1780996 0.9710522 0.1340616 1.0360770 -1.9758639 18 O -0.8695770 0.1589729 0.1163645 0.1766467 -2.1780996 -0.9710522 0.1340616 -1.0360770 -1.9758639 19 O -0.8695770 -0.1589729 0.1163645 -0.1766467 -2.1780996 0.9710522 0.1340616 1.0360770 -1.9758639 20 O -0.8695770 0.1589729 0.1163645 0.1766467 -2.1780996 -0.9710522 0.1340616 -1.0360770 -1.9758639 21 O -1.3144806 0.1874468 -0.0582549 0.1787066 -2.3208396 -0.1630627 -0.0772767 -0.2085516 -1.1991140 22 O -1.3144806 -0.1874468 -0.0582549 -0.1787066 -2.3208396 0.1630627 -0.0772767 0.2085516 -1.1991140 23 O -1.3144806 0.1874468 -0.0582549 0.1787066 -2.3208396 -0.1630627 -0.0772767 -0.2085516 -1.1991140 24 O -1.3144806 -0.1874468 -0.0582549 -0.1787066 -2.3208396 0.1630627 -0.0772767 0.2085516 -1.1991140 25 O -2.1276588 0.1221537 0.3894690 0.0240903 -1.5539294 0.0926060 0.4132878 -0.0382903 -1.2418026 26 O -2.1276588 -0.1221537 0.3894690 -0.0240903 -1.5539294 -0.0926060 0.4132878 0.0382903 -1.2418026 27 O -2.1276588 0.1221537 0.3894690 0.0240903 -1.5539294 0.0926060 0.4132878 -0.0382903 -1.2418026 28 O -2.1276588 -0.1221537 0.3894690 -0.0240903 -1.5539294 -0.0926060 0.4132878 0.0382903 -1.2418026 29 Mg 2.0714355 -0.0054904 -0.1405423 0.1487106 2.2387437 0.0574915 0.0532195 0.0774091 2.1669190 30 Mg 2.0714355 0.0054904 -0.1405423 -0.1487106 2.2387437 -0.0574915 0.0532195 -0.0774091 2.1669190 31 Mg 2.0714355 -0.0054904 -0.1405423 0.1487106 2.2387437 0.0574915 0.0532195 0.0774091 2.1669190 32 Mg 2.0714355 0.0054904 -0.1405423 -0.1487106 2.2387437 -0.0574915 0.0532195 -0.0774091 2.1669190 33 P 3.1831140 -0.0680658 -0.0889896 -0.0724610 3.4852082 -0.5283973 -0.0764728 -0.0719088 3.3020276 34 P 3.2407805 -0.0114964 -0.0200355 -0.0272683 3.3951703 -0.0854194 -0.0943426 0.5480679 3.4136090 35 P 3.1831140 0.0680658 -0.0889896 0.0724610 3.4852082 0.5283973 -0.0764728 0.0719088 3.3020276 36 P 3.1831140 -0.0680658 -0.0889896 -0.0724610 3.4852082 -0.5283973 -0.0764728 -0.0719088 3.3020276 37 P 3.2407805 -0.0114964 -0.0200355 -0.0272683 3.3951703 -0.0854194 -0.0943426 0.5480679 3.4136090 38 P 3.2407805 0.0114964 -0.0200355 0.0272683 3.3951703 0.0854194 -0.0943426 -0.5480679 3.4136090 39 P 3.2407805 0.0114964 -0.0200355 0.0272683 3.3951703 0.0854194 -0.0943426 -0.5480679 3.4136090 40 P 3.1831140 0.0680658 -0.0889896 0.0724610 3.4852082 0.5283973 -0.0764728 0.0719088 3.3020276 41 Sr 2.7862303 0.0522573 0.0543521 -0.0819421 2.5306075 -0.0898096 -0.0240864 0.0410052 2.3941821 42 Sr 2.7862303 -0.0522573 0.0543521 0.0819421 2.5306075 0.0898096 -0.0240864 -0.0410052 2.3941821 43 Sr 2.7862303 0.0522573 0.0543521 -0.0819421 2.5306075 -0.0898096 -0.0240864 0.0410052 2.3941821 44 Sr 2.7862303 -0.0522573 0.0543521 0.0819421 2.5306075 0.0898096 -0.0240864 -0.0410052 2.3941821 ---------------------------------------------------------------------------- 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: 264/264 Permutation basis: 17556/17556 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 4488 Number of blocks in projector: 4488 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: 968 Use submatrix version of eigh solver. (1) Block: 500 / 968 (2) Block: 250 / 500 (2) 228 eigenvectors found. (2) Block: 500 / 500 (2) 230 eigenvectors found. (2) Complementary block size: 42 (2) Compute compressed projector. (2) Use standard solver. (2) 20 eigenvectors found. (1) 478 eigenvectors found. (1) Block: 968 / 968 (1) 446 eigenvectors found. (1) Complementary block size: 44 (1) Compute compressed projector. (1) Use standard solver. (1) 22 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 968 Use submatrix version of eigh solver. (1) Block: 500 / 968 (2) Block: 250 / 500 (2) 228 eigenvectors found. (2) Block: 500 / 500 (2) 230 eigenvectors found. (2) Complementary block size: 42 (2) Compute compressed projector. (2) Use standard solver. (2) 20 eigenvectors found. (1) 478 eigenvectors found. (1) Block: 968 / 968 (1) 446 eigenvectors found. (1) Complementary block size: 44 (1) Compute compressed projector. (1) Use standard solver. (1) 22 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 968 Use submatrix version of eigh solver. (1) Block: 500 / 968 (2) Block: 250 / 500 (2) 229 eigenvectors found. (2) Block: 500 / 500 (2) 231 eigenvectors found. (2) Complementary block size: 40 (2) Compute compressed projector. (2) Use standard solver. (2) 19 eigenvectors found. (1) 479 eigenvectors found. (1) Block: 968 / 968 (1) 453 eigenvectors found. (1) Complementary block size: 36 (1) Compute compressed projector. (1) Use standard solver. (1) 15 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 528 Use submatrix version of eigh solver. (1) Block: 528 / 528 (2) Block: 250 / 528 (2) 239 eigenvectors found. (2) Block: 528 / 528 (2) 267 eigenvectors found. (2) Complementary block size: 22 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 517 eigenvectors found. (1) Complementary block size: 10 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 528 Use submatrix version of eigh solver. (1) Block: 528 / 528 (2) Block: 250 / 528 (2) 239 eigenvectors found. (2) Block: 528 / 528 (2) 267 eigenvectors found. (2) Complementary block size: 22 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 517 eigenvectors found. (1) Complementary block size: 10 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 528 Use submatrix version of eigh solver. (1) Block: 528 / 528 (2) Block: 250 / 528 (2) 239 eigenvectors found. (2) Block: 528 / 528 (2) 267 eigenvectors found. (2) Complementary block size: 22 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 517 eigenvectors found. (1) Complementary block size: 10 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. Tree of FC basis block matrices: - (4488, 4390), data: False |-- (528, 517), data: False |-- (528, 517), data: False |-- (528, 11), data: (528, 22) @ (22, 11) |-- (278, 267), data: True |-- (250, 239), data: True |-- (528, 517), data: False |-- (528, 517), data: False |-- (528, 11), data: (528, 22) @ (22, 11) |-- (278, 267), data: True |-- (250, 239), data: True |-- (528, 517), data: False |-- (528, 517), data: False |-- (528, 11), data: (528, 22) @ (22, 11) |-- (278, 267), data: True |-- (250, 239), data: True |-- (968, 947), data: False |-- (968, 15), data: (968, 36) @ (36, 15) |-- (468, 453), data: True |-- (500, 479), data: False |-- (500, 19), data: (500, 40) @ (40, 19) |-- (250, 231), data: True |-- (250, 229), data: True |-- (968, 946), data: False |-- (968, 22), data: (968, 44) @ (44, 22) |-- (468, 446), data: True |-- (500, 478), data: False |-- (500, 20), data: (500, 42) @ (42, 20) |-- (250, 230), data: True |-- (250, 228), data: True |-- (968, 946), data: False |-- (968, 22), data: (968, 44) @ (44, 22) |-- (468, 446), data: True |-- (500, 478), data: False |-- (500, 20), data: (500, 42) @ (42, 20) |-- (250, 230), data: True |-- (250, 228), data: True ----- Solver_atoms: 1 -- 88 / 88 Time (Solver_compr_matrix_reshape): 0.009 Solver_block: 100 / 1360 - Time: 1.016 Solver_block: 200 / 1360 - Time: 1.167 Solver_block: 300 / 1360 - Time: 1.450 Solver_block: 400 / 1360 - Time: 1.510 Solver_block: 500 / 1360 - Time: 0.836 Solver_block: 600 / 1360 - Time: 1.682 Solver_block: 700 / 1360 - Time: 0.820 Solver_block: 800 / 1360 - Time: 1.132 Solver_block: 900 / 1360 - Time: 1.408 Solver_block: 1000 / 1360 - Time: 0.815 Solver_block: 1100 / 1360 - Time: 1.624 Solver_block: 1200 / 1360 - Time: 0.787 Solver_block: 1300 / 1360 - Time: 1.963 Solver_block: 1360 / 1360 - Time: 1.895 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 19.117 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (xx) -0.00000000 (xx) Permutation basis: 264/264 Permutation basis: 17556/17556 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 4488 Number of blocks in projector: 4488 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: 968 Use submatrix version of eigh solver. (1) Block: 500 / 968 (2) Block: 250 / 500 (2) 228 eigenvectors found. (2) Block: 500 / 500 (2) 230 eigenvectors found. (2) Complementary block size: 42 (2) Compute compressed projector. (2) Use standard solver. (2) 20 eigenvectors found. (1) 478 eigenvectors found. (1) Block: 968 / 968 (1) 446 eigenvectors found. (1) Complementary block size: 44 (1) Compute compressed projector. (1) Use standard solver. (1) 22 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 968 Use submatrix version of eigh solver. (1) Block: 500 / 968 (2) Block: 250 / 500 (2) 228 eigenvectors found. (2) Block: 500 / 500 (2) 230 eigenvectors found. (2) Complementary block size: 42 (2) Compute compressed projector. (2) Use standard solver. (2) 20 eigenvectors found. (1) 478 eigenvectors found. (1) Block: 968 / 968 (1) 446 eigenvectors found. (1) Complementary block size: 44 (1) Compute compressed projector. (1) Use standard solver. (1) 22 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 968 Use submatrix version of eigh solver. (1) Block: 500 / 968 (2) Block: 250 / 500 (2) 229 eigenvectors found. (2) Block: 500 / 500 (2) 231 eigenvectors found. (2) Complementary block size: 40 (2) Compute compressed projector. (2) Use standard solver. (2) 19 eigenvectors found. (1) 479 eigenvectors found. (1) Block: 968 / 968 (1) 453 eigenvectors found. (1) Complementary block size: 36 (1) Compute compressed projector. (1) Use standard solver. (1) 15 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 528 Use submatrix version of eigh solver. (1) Block: 528 / 528 (2) Block: 250 / 528 (2) 239 eigenvectors found. (2) Block: 528 / 528 (2) 267 eigenvectors found. (2) Complementary block size: 22 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 517 eigenvectors found. (1) Complementary block size: 10 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 528 Use submatrix version of eigh solver. (1) Block: 528 / 528 (2) Block: 250 / 528 (2) 239 eigenvectors found. (2) Block: 528 / 528 (2) 267 eigenvectors found. (2) Complementary block size: 22 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 517 eigenvectors found. (1) Complementary block size: 10 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 528 Use submatrix version of eigh solver. (1) Block: 528 / 528 (2) Block: 250 / 528 (2) 239 eigenvectors found. (2) Block: 528 / 528 (2) 267 eigenvectors found. (2) Complementary block size: 22 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 517 eigenvectors found. (1) Complementary block size: 10 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. Tree of FC basis block matrices: - (4488, 4390), data: False |-- (528, 517), data: False |-- (528, 517), data: False |-- (528, 11), data: (528, 22) @ (22, 11) |-- (278, 267), data: True |-- (250, 239), data: True |-- (528, 517), data: False |-- (528, 517), data: False |-- (528, 11), data: (528, 22) @ (22, 11) |-- (278, 267), data: True |-- (250, 239), data: True |-- (528, 517), data: False |-- (528, 517), data: False |-- (528, 11), data: (528, 22) @ (22, 11) |-- (278, 267), data: True |-- (250, 239), data: True |-- (968, 947), data: False |-- (968, 15), data: (968, 36) @ (36, 15) |-- (468, 453), data: True |-- (500, 479), data: False |-- (500, 19), data: (500, 40) @ (40, 19) |-- (250, 231), data: True |-- (250, 229), data: True |-- (968, 946), data: False |-- (968, 22), data: (968, 44) @ (44, 22) |-- (468, 446), data: True |-- (500, 478), data: False |-- (500, 20), data: (500, 42) @ (42, 20) |-- (250, 230), data: True |-- (250, 228), data: True |-- (968, 946), data: False |-- (968, 22), data: (968, 44) @ (44, 22) |-- (468, 446), data: True |-- (500, 478), data: False |-- (500, 20), data: (500, 42) @ (42, 20) |-- (250, 230), data: True |-- (250, 228), data: True Max drift after symmetrization by symfc projector: -0.00000000 (xx) -0.00000000 (xx) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 04:34:45]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 04:34:45]------------------------- 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: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 1 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.311294310000071 0.000000000000000 0.000000000000000 b 0.000000000000000 8.295754320000002 0.000000000000000 c -5.150012834573392 0.000000000000000 12.726186686418380 Atomic positions (fractional): 1 O 0.23086976694901 0.90231536152642 0.89935818141614 15.999 2 O 0.76913023305099 0.40231536152642 0.60064181858386 15.999 3 O 0.76913023305099 0.09768463847358 0.10064181858386 15.999 4 O 0.23086976694901 0.59768463847358 0.39935818141614 15.999 5 O 0.87845104977417 0.83206874146114 0.97599211136586 15.999 6 O 0.12154895022583 0.33206874146114 0.52400788863414 15.999 7 O 0.12154895022583 0.16793125853886 0.02400788863414 15.999 8 O 0.87845104977417 0.66793125853886 0.47599211136586 15.999 9 O 0.39211562869741 0.80819629957187 0.08849596423106 15.999 10 O 0.60788437130259 0.30819629957187 0.41150403576895 15.999 11 O 0.60788437130259 0.19180370042813 0.91150403576895 15.999 12 O 0.39211562869741 0.69180370042813 0.58849596423105 15.999 13 O 0.80733427369300 0.61556703062179 0.76366395262297 15.999 14 O 0.19266572630700 0.11556703062179 0.73633604737703 15.999 15 O 0.19266572630700 0.38443296937821 0.23633604737703 15.999 16 O 0.80733427369300 0.88443296937821 0.26366395262297 15.999 17 O 0.17668861795535 0.88763438683858 0.44686808386742 15.999 18 O 0.82331138204465 0.38763438683858 0.05313191613258 15.999 19 O 0.82331138204465 0.11236561316142 0.55313191613258 15.999 20 O 0.17668861795535 0.61236561316142 0.94686808386742 15.999 21 O 0.02315896053936 0.14305822737201 0.34578719918559 15.999 22 O 0.97684103946064 0.64305822737201 0.15421280081441 15.999 23 O 0.97684103946064 0.85694177262799 0.65421280081441 15.999 24 O 0.02315896053936 0.35694177262799 0.84578719918559 15.999 25 O 0.29361294081058 0.93825573393258 0.28635238616907 15.999 26 O 0.70638705918942 0.43825573393258 0.21364761383093 15.999 27 O 0.70638705918942 0.06174426606742 0.71364761383093 15.999 28 O 0.29361294081058 0.56174426606742 0.78635238616907 15.999 29 Mg 0.78471199482101 0.64813329536297 0.60822549243884 24.305 30 Mg 0.78471199482101 0.85186670463703 0.10822549243884 24.305 31 Mg 0.21528800517899 0.35186670463703 0.39177450756116 24.305 32 Mg 0.21528800517899 0.14813329536297 0.89177450756116 24.305 33 P 0.92437105964242 0.03364984038588 0.66846837693941 30.974 34 P 0.16542949581697 0.79875136678921 0.97979785809184 30.974 35 P 0.92437105964242 0.46635015961412 0.16846837693941 30.974 36 P 0.07562894035758 0.96635015961412 0.33153162306059 30.974 37 P 0.83457050418303 0.20124863321079 0.02020214190816 30.974 38 P 0.16542949581697 0.70124863321079 0.47979785809184 30.974 39 P 0.83457050418303 0.29875136678921 0.52020214190816 30.974 40 P 0.07562894035758 0.53364984038588 0.83153162306059 30.974 41 Sr 0.49060241416637 0.83656026078327 0.77789284650257 87.620 42 Sr 0.50939758583363 0.33656026078328 0.72210715349743 87.620 43 Sr 0.50939758583363 0.16343973921672 0.22210715349743 87.620 44 Sr 0.49060241416637 0.66343973921673 0.27789284650257 87.620 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.622588620000142 0.000000000000000 0.000000000000000 b 0.000000000000000 8.295754320000002 0.000000000000000 c -5.150012834573392 0.000000000000000 12.726186686418380 Atomic positions (fractional): 1 O 0.11543488347450 0.90231536152642 0.89935818141614 15.999 > 1 2 O 0.61543488347450 0.90231536152642 0.89935818141614 15.999 > 1 3 O 0.38456511652550 0.40231536152642 0.60064181858386 15.999 > 3 4 O 0.88456511652550 0.40231536152642 0.60064181858386 15.999 > 3 5 O 0.38456511652550 0.09768463847358 0.10064181858386 15.999 > 5 6 O 0.88456511652550 0.09768463847358 0.10064181858386 15.999 > 5 7 O 0.11543488347450 0.59768463847358 0.39935818141614 15.999 > 7 8 O 0.61543488347450 0.59768463847358 0.39935818141614 15.999 > 7 9 O 0.43922552488708 0.83206874146114 0.97599211136586 15.999 > 9 10 O 0.93922552488708 0.83206874146114 0.97599211136586 15.999 > 9 11 O 0.06077447511291 0.33206874146114 0.52400788863414 15.999 > 11 12 O 0.56077447511292 0.33206874146114 0.52400788863414 15.999 > 11 13 O 0.06077447511291 0.16793125853886 0.02400788863414 15.999 > 13 14 O 0.56077447511292 0.16793125853886 0.02400788863414 15.999 > 13 15 O 0.43922552488708 0.66793125853886 0.47599211136586 15.999 > 15 16 O 0.93922552488708 0.66793125853886 0.47599211136586 15.999 > 15 17 O 0.19605781434871 0.80819629957187 0.08849596423106 15.999 > 17 18 O 0.69605781434871 0.80819629957187 0.08849596423106 15.999 > 17 19 O 0.30394218565129 0.30819629957187 0.41150403576895 15.999 > 19 20 O 0.80394218565129 0.30819629957187 0.41150403576895 15.999 > 19 21 O 0.30394218565129 0.19180370042813 0.91150403576895 15.999 > 21 22 O 0.80394218565129 0.19180370042813 0.91150403576895 15.999 > 21 23 O 0.19605781434871 0.69180370042813 0.58849596423105 15.999 > 23 24 O 0.69605781434871 0.69180370042813 0.58849596423105 15.999 > 23 25 O 0.40366713684650 0.61556703062179 0.76366395262297 15.999 > 25 26 O 0.90366713684650 0.61556703062179 0.76366395262297 15.999 > 25 27 O 0.09633286315350 0.11556703062179 0.73633604737703 15.999 > 27 28 O 0.59633286315350 0.11556703062179 0.73633604737703 15.999 > 27 29 O 0.09633286315350 0.38443296937821 0.23633604737703 15.999 > 29 30 O 0.59633286315350 0.38443296937821 0.23633604737703 15.999 > 29 31 O 0.40366713684650 0.88443296937821 0.26366395262297 15.999 > 31 32 O 0.90366713684650 0.88443296937821 0.26366395262297 15.999 > 31 33 O 0.08834430897767 0.88763438683858 0.44686808386742 15.999 > 33 34 O 0.58834430897767 0.88763438683858 0.44686808386742 15.999 > 33 35 O 0.41165569102233 0.38763438683858 0.05313191613258 15.999 > 35 36 O 0.91165569102233 0.38763438683858 0.05313191613258 15.999 > 35 37 O 0.41165569102233 0.11236561316142 0.55313191613258 15.999 > 37 38 O 0.91165569102233 0.11236561316142 0.55313191613258 15.999 > 37 39 O 0.08834430897767 0.61236561316142 0.94686808386742 15.999 > 39 40 O 0.58834430897767 0.61236561316142 0.94686808386742 15.999 > 39 41 O 0.01157948026968 0.14305822737201 0.34578719918559 15.999 > 41 42 O 0.51157948026968 0.14305822737201 0.34578719918559 15.999 > 41 43 O 0.48842051973032 0.64305822737201 0.15421280081441 15.999 > 43 44 O 0.98842051973032 0.64305822737201 0.15421280081441 15.999 > 43 45 O 0.48842051973032 0.85694177262799 0.65421280081441 15.999 > 45 46 O 0.98842051973032 0.85694177262799 0.65421280081441 15.999 > 45 47 O 0.01157948026968 0.35694177262799 0.84578719918559 15.999 > 47 48 O 0.51157948026968 0.35694177262799 0.84578719918559 15.999 > 47 49 O 0.14680647040529 0.93825573393258 0.28635238616907 15.999 > 49 50 O 0.64680647040529 0.93825573393258 0.28635238616907 15.999 > 49 51 O 0.35319352959471 0.43825573393258 0.21364761383093 15.999 > 51 52 O 0.85319352959471 0.43825573393258 0.21364761383093 15.999 > 51 53 O 0.35319352959471 0.06174426606742 0.71364761383093 15.999 > 53 54 O 0.85319352959471 0.06174426606742 0.71364761383093 15.999 > 53 55 O 0.14680647040529 0.56174426606742 0.78635238616907 15.999 > 55 56 O 0.64680647040529 0.56174426606742 0.78635238616907 15.999 > 55 57 Mg 0.39235599741051 0.64813329536297 0.60822549243884 24.305 > 57 58 Mg 0.89235599741051 0.64813329536297 0.60822549243884 24.305 > 57 59 Mg 0.39235599741051 0.85186670463703 0.10822549243884 24.305 > 59 60 Mg 0.89235599741051 0.85186670463703 0.10822549243884 24.305 > 59 61 Mg 0.10764400258949 0.35186670463703 0.39177450756116 24.305 > 61 62 Mg 0.60764400258949 0.35186670463703 0.39177450756116 24.305 > 61 63 Mg 0.10764400258949 0.14813329536297 0.89177450756116 24.305 > 63 64 Mg 0.60764400258949 0.14813329536297 0.89177450756116 24.305 > 63 65 P 0.46218552982121 0.03364984038588 0.66846837693941 30.974 > 65 66 P 0.96218552982121 0.03364984038588 0.66846837693941 30.974 > 65 67 P 0.08271474790849 0.79875136678921 0.97979785809184 30.974 > 67 68 P 0.58271474790849 0.79875136678921 0.97979785809184 30.974 > 67 69 P 0.46218552982121 0.46635015961412 0.16846837693941 30.974 > 69 70 P 0.96218552982121 0.46635015961412 0.16846837693941 30.974 > 69 71 P 0.03781447017879 0.96635015961412 0.33153162306059 30.974 > 71 72 P 0.53781447017879 0.96635015961412 0.33153162306059 30.974 > 71 73 P 0.41728525209151 0.20124863321079 0.02020214190816 30.974 > 73 74 P 0.91728525209151 0.20124863321079 0.02020214190816 30.974 > 73 75 P 0.08271474790849 0.70124863321079 0.47979785809184 30.974 > 75 76 P 0.58271474790849 0.70124863321079 0.47979785809184 30.974 > 75 77 P 0.41728525209151 0.29875136678921 0.52020214190816 30.974 > 77 78 P 0.91728525209151 0.29875136678921 0.52020214190816 30.974 > 77 79 P 0.03781447017879 0.53364984038588 0.83153162306059 30.974 > 79 80 P 0.53781447017879 0.53364984038588 0.83153162306059 30.974 > 79 81 Sr 0.24530120708318 0.83656026078327 0.77789284650257 87.620 > 81 82 Sr 0.74530120708318 0.83656026078327 0.77789284650257 87.620 > 81 83 Sr 0.25469879291682 0.33656026078328 0.72210715349743 87.620 > 83 84 Sr 0.75469879291682 0.33656026078328 0.72210715349743 87.620 > 83 85 Sr 0.25469879291682 0.16343973921672 0.22210715349743 87.620 > 85 86 Sr 0.75469879291682 0.16343973921672 0.22210715349743 87.620 > 85 87 Sr 0.24530120708318 0.66343973921673 0.27789284650257 87.620 > 87 88 Sr 0.74530120708318 0.66343973921673 0.27789284650257 87.620 > 87 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.7277242 0.0000000 -0.0048258 0.0000000 2.7271225 0.0000000 -0.0048235 0.0000000 2.7011992 -------------------------- Born effective charges -------------------------- 1 O -1.4965322 -0.2354839 0.4425382 -0.2770040 -1.7085420 0.4160070 0.4077336 0.2364246 -1.6753137 2 O -1.4965322 0.2354839 0.4425382 0.2770040 -1.7085420 -0.4160070 0.4077336 -0.2364246 -1.6753137 3 O -1.4965322 -0.2354839 0.4425382 -0.2770040 -1.7085420 0.4160070 0.4077336 0.2364246 -1.6753137 4 O -1.4965322 0.2354839 0.4425382 0.2770040 -1.7085420 -0.4160070 0.4077336 -0.2364246 -1.6753137 5 O -2.1364343 0.1971581 0.0370515 0.2563434 -1.1715793 0.0423519 0.1460606 -0.1114146 -1.4131011 6 O -2.1364343 -0.1971581 0.0370515 -0.2563434 -1.1715793 -0.0423519 0.1460606 0.1114146 -1.4131011 7 O -2.1364343 0.1971581 0.0370515 0.2563434 -1.1715793 0.0423519 0.1460606 -0.1114146 -1.4131011 8 O -2.1364343 -0.1971581 0.0370515 -0.2563434 -1.1715793 -0.0423519 0.1460606 0.1114146 -1.4131011 9 O -1.5711979 -0.0656800 -0.3857364 -0.1051482 -1.1383648 0.0474041 -0.5059425 0.0127414 -2.1767282 10 O -1.5711979 0.0656800 -0.3857364 0.1051482 -1.1383648 -0.0474041 -0.5059425 -0.0127414 -2.1767282 11 O -1.5711979 -0.0656800 -0.3857364 -0.1051482 -1.1383648 0.0474041 -0.5059425 0.0127414 -2.1767282 12 O -1.5711979 0.0656800 -0.3857364 0.1051482 -1.1383648 -0.0474041 -0.5059425 -0.0127414 -2.1767282 13 O -1.7656796 0.3296814 -0.3462165 0.2787722 -1.5783750 0.0951338 -0.3762422 0.1945119 -1.5948144 14 O -1.7656796 -0.3296814 -0.3462165 -0.2787722 -1.5783750 -0.0951338 -0.3762422 -0.1945119 -1.5948144 15 O -1.7656796 0.3296814 -0.3462165 0.2787722 -1.5783750 0.0951338 -0.3762422 0.1945119 -1.5948144 16 O -1.7656796 -0.3296814 -0.3462165 -0.2787722 -1.5783750 -0.0951338 -0.3762422 -0.1945119 -1.5948144 17 O -0.8695770 -0.1589729 0.1163645 -0.1766467 -2.1780996 0.9710522 0.1340616 1.0360770 -1.9758639 18 O -0.8695770 0.1589729 0.1163645 0.1766467 -2.1780996 -0.9710522 0.1340616 -1.0360770 -1.9758639 19 O -0.8695770 -0.1589729 0.1163645 -0.1766467 -2.1780996 0.9710522 0.1340616 1.0360770 -1.9758639 20 O -0.8695770 0.1589729 0.1163645 0.1766467 -2.1780996 -0.9710522 0.1340616 -1.0360770 -1.9758639 21 O -1.3144806 0.1874468 -0.0582549 0.1787066 -2.3208396 -0.1630627 -0.0772767 -0.2085516 -1.1991140 22 O -1.3144806 -0.1874468 -0.0582549 -0.1787066 -2.3208396 0.1630627 -0.0772767 0.2085516 -1.1991140 23 O -1.3144806 0.1874468 -0.0582549 0.1787066 -2.3208396 -0.1630627 -0.0772767 -0.2085516 -1.1991140 24 O -1.3144806 -0.1874468 -0.0582549 -0.1787066 -2.3208396 0.1630627 -0.0772767 0.2085516 -1.1991140 25 O -2.1276588 0.1221537 0.3894690 0.0240903 -1.5539294 0.0926060 0.4132878 -0.0382903 -1.2418026 26 O -2.1276588 -0.1221537 0.3894690 -0.0240903 -1.5539294 -0.0926060 0.4132878 0.0382903 -1.2418026 27 O -2.1276588 0.1221537 0.3894690 0.0240903 -1.5539294 0.0926060 0.4132878 -0.0382903 -1.2418026 28 O -2.1276588 -0.1221537 0.3894690 -0.0240903 -1.5539294 -0.0926060 0.4132878 0.0382903 -1.2418026 29 Mg 2.0714355 -0.0054904 -0.1405423 0.1487106 2.2387437 0.0574915 0.0532195 0.0774091 2.1669190 30 Mg 2.0714355 0.0054904 -0.1405423 -0.1487106 2.2387437 -0.0574915 0.0532195 -0.0774091 2.1669190 31 Mg 2.0714355 -0.0054904 -0.1405423 0.1487106 2.2387437 0.0574915 0.0532195 0.0774091 2.1669190 32 Mg 2.0714355 0.0054904 -0.1405423 -0.1487106 2.2387437 -0.0574915 0.0532195 -0.0774091 2.1669190 33 P 3.1831140 -0.0680658 -0.0889896 -0.0724610 3.4852082 -0.5283973 -0.0764728 -0.0719088 3.3020276 34 P 3.2407805 -0.0114964 -0.0200355 -0.0272683 3.3951703 -0.0854194 -0.0943426 0.5480679 3.4136090 35 P 3.1831140 0.0680658 -0.0889896 0.0724610 3.4852082 0.5283973 -0.0764728 0.0719088 3.3020276 36 P 3.1831140 -0.0680658 -0.0889896 -0.0724610 3.4852082 -0.5283973 -0.0764728 -0.0719088 3.3020276 37 P 3.2407805 -0.0114964 -0.0200355 -0.0272683 3.3951703 -0.0854194 -0.0943426 0.5480679 3.4136090 38 P 3.2407805 0.0114964 -0.0200355 0.0272683 3.3951703 0.0854194 -0.0943426 -0.5480679 3.4136090 39 P 3.2407805 0.0114964 -0.0200355 0.0272683 3.3951703 0.0854194 -0.0943426 -0.5480679 3.4136090 40 P 3.1831140 0.0680658 -0.0889896 0.0724610 3.4852082 0.5283973 -0.0764728 0.0719088 3.3020276 41 Sr 2.7862303 0.0522573 0.0543521 -0.0819421 2.5306075 -0.0898096 -0.0240864 0.0410052 2.3941821 42 Sr 2.7862303 -0.0522573 0.0543521 0.0819421 2.5306075 0.0898096 -0.0240864 -0.0410052 2.3941821 43 Sr 2.7862303 0.0522573 0.0543521 -0.0819421 2.5306075 -0.0898096 -0.0240864 0.0410052 2.3941821 44 Sr 2.7862303 -0.0522573 0.0543521 0.0819421 2.5306075 0.0898096 -0.0240864 -0.0410052 2.3941821 ---------------------------------------------------------------------------- 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] [-0.0038 0.0000 0.0093] [ 0.0038 0.0000 -0.0093] 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] [-0.0038 0.0000 0.0093] [ 0.0038 0.0000 -0.0093] Computing fc3[ 17, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0038 0.0000 0.0093] [ 0.0038 0.0000 -0.0093] 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] [-0.0038 0.0000 0.0093] [ 0.0038 0.0000 -0.0093] Computing fc3[ 33, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0038 0.0000 0.0093] [ 0.0038 0.0000 -0.0093] Computing fc3[ 41, 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] [-0.0038 0.0000 0.0093] [ 0.0038 0.0000 -0.0093] Computing fc3[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0038 0.0000 0.0093] [ 0.0038 0.0000 -0.0093] Computing fc3[ 57, 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] [-0.0038 0.0000 0.0093] [ 0.0038 0.0000 -0.0093] 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] [-0.0038 0.0000 0.0093] [ 0.0038 0.0000 -0.0093] Computing fc3[ 67, 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] [-0.0038 0.0000 0.0093] [ 0.0038 0.0000 -0.0093] Computing fc3[ 81, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0038 0.0000 0.0093] [ 0.0038 0.0000 -0.0093] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000001 (yyy) -0.00000001 (yyy) -0.00000001 (yyy) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000002 (xz) 0.00000002 (xz) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 04:35:22]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 04:35:23]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 1 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.311294310000071 0.000000000000000 0.000000000000000 b 0.000000000000000 8.295754320000002 0.000000000000000 c -5.150012834573392 0.000000000000000 12.726186686418380 Atomic positions (fractional): 1 O 0.23086976694901 0.90231536152642 0.89935818141614 15.999 2 O 0.76913023305099 0.40231536152642 0.60064181858386 15.999 3 O 0.76913023305099 0.09768463847358 0.10064181858386 15.999 4 O 0.23086976694901 0.59768463847358 0.39935818141614 15.999 5 O 0.87845104977417 0.83206874146114 0.97599211136586 15.999 6 O 0.12154895022583 0.33206874146114 0.52400788863414 15.999 7 O 0.12154895022583 0.16793125853886 0.02400788863414 15.999 8 O 0.87845104977417 0.66793125853886 0.47599211136586 15.999 9 O 0.39211562869741 0.80819629957187 0.08849596423106 15.999 10 O 0.60788437130259 0.30819629957187 0.41150403576895 15.999 11 O 0.60788437130259 0.19180370042813 0.91150403576895 15.999 12 O 0.39211562869741 0.69180370042813 0.58849596423105 15.999 13 O 0.80733427369300 0.61556703062179 0.76366395262297 15.999 14 O 0.19266572630700 0.11556703062179 0.73633604737703 15.999 15 O 0.19266572630700 0.38443296937821 0.23633604737703 15.999 16 O 0.80733427369300 0.88443296937821 0.26366395262297 15.999 17 O 0.17668861795535 0.88763438683858 0.44686808386742 15.999 18 O 0.82331138204465 0.38763438683858 0.05313191613258 15.999 19 O 0.82331138204465 0.11236561316142 0.55313191613258 15.999 20 O 0.17668861795535 0.61236561316142 0.94686808386742 15.999 21 O 0.02315896053936 0.14305822737201 0.34578719918559 15.999 22 O 0.97684103946064 0.64305822737201 0.15421280081441 15.999 23 O 0.97684103946064 0.85694177262799 0.65421280081441 15.999 24 O 0.02315896053936 0.35694177262799 0.84578719918559 15.999 25 O 0.29361294081058 0.93825573393258 0.28635238616907 15.999 26 O 0.70638705918942 0.43825573393258 0.21364761383093 15.999 27 O 0.70638705918942 0.06174426606742 0.71364761383093 15.999 28 O 0.29361294081058 0.56174426606742 0.78635238616907 15.999 29 Mg 0.78471199482101 0.64813329536297 0.60822549243884 24.305 30 Mg 0.78471199482101 0.85186670463703 0.10822549243884 24.305 31 Mg 0.21528800517899 0.35186670463703 0.39177450756116 24.305 32 Mg 0.21528800517899 0.14813329536297 0.89177450756116 24.305 33 P 0.92437105964242 0.03364984038588 0.66846837693941 30.974 34 P 0.16542949581697 0.79875136678921 0.97979785809184 30.974 35 P 0.92437105964242 0.46635015961412 0.16846837693941 30.974 36 P 0.07562894035758 0.96635015961412 0.33153162306059 30.974 37 P 0.83457050418303 0.20124863321079 0.02020214190816 30.974 38 P 0.16542949581697 0.70124863321079 0.47979785809184 30.974 39 P 0.83457050418303 0.29875136678921 0.52020214190816 30.974 40 P 0.07562894035758 0.53364984038588 0.83153162306059 30.974 41 Sr 0.49060241416637 0.83656026078327 0.77789284650257 87.620 42 Sr 0.50939758583363 0.33656026078328 0.72210715349743 87.620 43 Sr 0.50939758583363 0.16343973921672 0.22210715349743 87.620 44 Sr 0.49060241416637 0.66343973921673 0.27789284650257 87.620 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.622588620000142 0.000000000000000 0.000000000000000 b 0.000000000000000 8.295754320000002 0.000000000000000 c -5.150012834573392 0.000000000000000 12.726186686418380 Atomic positions (fractional): 1 O 0.11543488347450 0.90231536152642 0.89935818141614 15.999 > 1 2 O 0.61543488347450 0.90231536152642 0.89935818141614 15.999 > 1 3 O 0.38456511652550 0.40231536152642 0.60064181858386 15.999 > 3 4 O 0.88456511652550 0.40231536152642 0.60064181858386 15.999 > 3 5 O 0.38456511652550 0.09768463847358 0.10064181858386 15.999 > 5 6 O 0.88456511652550 0.09768463847358 0.10064181858386 15.999 > 5 7 O 0.11543488347450 0.59768463847358 0.39935818141614 15.999 > 7 8 O 0.61543488347450 0.59768463847358 0.39935818141614 15.999 > 7 9 O 0.43922552488708 0.83206874146114 0.97599211136586 15.999 > 9 10 O 0.93922552488708 0.83206874146114 0.97599211136586 15.999 > 9 11 O 0.06077447511291 0.33206874146114 0.52400788863414 15.999 > 11 12 O 0.56077447511292 0.33206874146114 0.52400788863414 15.999 > 11 13 O 0.06077447511291 0.16793125853886 0.02400788863414 15.999 > 13 14 O 0.56077447511292 0.16793125853886 0.02400788863414 15.999 > 13 15 O 0.43922552488708 0.66793125853886 0.47599211136586 15.999 > 15 16 O 0.93922552488708 0.66793125853886 0.47599211136586 15.999 > 15 17 O 0.19605781434871 0.80819629957187 0.08849596423106 15.999 > 17 18 O 0.69605781434871 0.80819629957187 0.08849596423106 15.999 > 17 19 O 0.30394218565129 0.30819629957187 0.41150403576895 15.999 > 19 20 O 0.80394218565129 0.30819629957187 0.41150403576895 15.999 > 19 21 O 0.30394218565129 0.19180370042813 0.91150403576895 15.999 > 21 22 O 0.80394218565129 0.19180370042813 0.91150403576895 15.999 > 21 23 O 0.19605781434871 0.69180370042813 0.58849596423105 15.999 > 23 24 O 0.69605781434871 0.69180370042813 0.58849596423105 15.999 > 23 25 O 0.40366713684650 0.61556703062179 0.76366395262297 15.999 > 25 26 O 0.90366713684650 0.61556703062179 0.76366395262297 15.999 > 25 27 O 0.09633286315350 0.11556703062179 0.73633604737703 15.999 > 27 28 O 0.59633286315350 0.11556703062179 0.73633604737703 15.999 > 27 29 O 0.09633286315350 0.38443296937821 0.23633604737703 15.999 > 29 30 O 0.59633286315350 0.38443296937821 0.23633604737703 15.999 > 29 31 O 0.40366713684650 0.88443296937821 0.26366395262297 15.999 > 31 32 O 0.90366713684650 0.88443296937821 0.26366395262297 15.999 > 31 33 O 0.08834430897767 0.88763438683858 0.44686808386742 15.999 > 33 34 O 0.58834430897767 0.88763438683858 0.44686808386742 15.999 > 33 35 O 0.41165569102233 0.38763438683858 0.05313191613258 15.999 > 35 36 O 0.91165569102233 0.38763438683858 0.05313191613258 15.999 > 35 37 O 0.41165569102233 0.11236561316142 0.55313191613258 15.999 > 37 38 O 0.91165569102233 0.11236561316142 0.55313191613258 15.999 > 37 39 O 0.08834430897767 0.61236561316142 0.94686808386742 15.999 > 39 40 O 0.58834430897767 0.61236561316142 0.94686808386742 15.999 > 39 41 O 0.01157948026968 0.14305822737201 0.34578719918559 15.999 > 41 42 O 0.51157948026968 0.14305822737201 0.34578719918559 15.999 > 41 43 O 0.48842051973032 0.64305822737201 0.15421280081441 15.999 > 43 44 O 0.98842051973032 0.64305822737201 0.15421280081441 15.999 > 43 45 O 0.48842051973032 0.85694177262799 0.65421280081441 15.999 > 45 46 O 0.98842051973032 0.85694177262799 0.65421280081441 15.999 > 45 47 O 0.01157948026968 0.35694177262799 0.84578719918559 15.999 > 47 48 O 0.51157948026968 0.35694177262799 0.84578719918559 15.999 > 47 49 O 0.14680647040529 0.93825573393258 0.28635238616907 15.999 > 49 50 O 0.64680647040529 0.93825573393258 0.28635238616907 15.999 > 49 51 O 0.35319352959471 0.43825573393258 0.21364761383093 15.999 > 51 52 O 0.85319352959471 0.43825573393258 0.21364761383093 15.999 > 51 53 O 0.35319352959471 0.06174426606742 0.71364761383093 15.999 > 53 54 O 0.85319352959471 0.06174426606742 0.71364761383093 15.999 > 53 55 O 0.14680647040529 0.56174426606742 0.78635238616907 15.999 > 55 56 O 0.64680647040529 0.56174426606742 0.78635238616907 15.999 > 55 57 Mg 0.39235599741051 0.64813329536297 0.60822549243884 24.305 > 57 58 Mg 0.89235599741051 0.64813329536297 0.60822549243884 24.305 > 57 59 Mg 0.39235599741051 0.85186670463703 0.10822549243884 24.305 > 59 60 Mg 0.89235599741051 0.85186670463703 0.10822549243884 24.305 > 59 61 Mg 0.10764400258949 0.35186670463703 0.39177450756116 24.305 > 61 62 Mg 0.60764400258949 0.35186670463703 0.39177450756116 24.305 > 61 63 Mg 0.10764400258949 0.14813329536297 0.89177450756116 24.305 > 63 64 Mg 0.60764400258949 0.14813329536297 0.89177450756116 24.305 > 63 65 P 0.46218552982121 0.03364984038588 0.66846837693941 30.974 > 65 66 P 0.96218552982121 0.03364984038588 0.66846837693941 30.974 > 65 67 P 0.08271474790849 0.79875136678921 0.97979785809184 30.974 > 67 68 P 0.58271474790849 0.79875136678921 0.97979785809184 30.974 > 67 69 P 0.46218552982121 0.46635015961412 0.16846837693941 30.974 > 69 70 P 0.96218552982121 0.46635015961412 0.16846837693941 30.974 > 69 71 P 0.03781447017879 0.96635015961412 0.33153162306059 30.974 > 71 72 P 0.53781447017879 0.96635015961412 0.33153162306059 30.974 > 71 73 P 0.41728525209151 0.20124863321079 0.02020214190816 30.974 > 73 74 P 0.91728525209151 0.20124863321079 0.02020214190816 30.974 > 73 75 P 0.08271474790849 0.70124863321079 0.47979785809184 30.974 > 75 76 P 0.58271474790849 0.70124863321079 0.47979785809184 30.974 > 75 77 P 0.41728525209151 0.29875136678921 0.52020214190816 30.974 > 77 78 P 0.91728525209151 0.29875136678921 0.52020214190816 30.974 > 77 79 P 0.03781447017879 0.53364984038588 0.83153162306059 30.974 > 79 80 P 0.53781447017879 0.53364984038588 0.83153162306059 30.974 > 79 81 Sr 0.24530120708318 0.83656026078327 0.77789284650257 87.620 > 81 82 Sr 0.74530120708318 0.83656026078327 0.77789284650257 87.620 > 81 83 Sr 0.25469879291682 0.33656026078328 0.72210715349743 87.620 > 83 84 Sr 0.75469879291682 0.33656026078328 0.72210715349743 87.620 > 83 85 Sr 0.25469879291682 0.16343973921672 0.22210715349743 87.620 > 85 86 Sr 0.75469879291682 0.16343973921672 0.22210715349743 87.620 > 85 87 Sr 0.24530120708318 0.66343973921673 0.27789284650257 87.620 > 87 88 Sr 0.74530120708318 0.66343973921673 0.27789284650257 87.620 > 87 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 2.7277242 0.0000000 -0.0048258 0.0000000 2.7271225 0.0000000 -0.0048235 0.0000000 2.7011992 -------------------------- Born effective charges -------------------------- 1 O -1.4965322 -0.2354839 0.4425382 -0.2770040 -1.7085420 0.4160070 0.4077336 0.2364246 -1.6753137 2 O -1.4965322 0.2354839 0.4425382 0.2770040 -1.7085420 -0.4160070 0.4077336 -0.2364246 -1.6753137 3 O -1.4965322 -0.2354839 0.4425382 -0.2770040 -1.7085420 0.4160070 0.4077336 0.2364246 -1.6753137 4 O -1.4965322 0.2354839 0.4425382 0.2770040 -1.7085420 -0.4160070 0.4077336 -0.2364246 -1.6753137 5 O -2.1364343 0.1971581 0.0370515 0.2563434 -1.1715793 0.0423519 0.1460606 -0.1114146 -1.4131011 6 O -2.1364343 -0.1971581 0.0370515 -0.2563434 -1.1715793 -0.0423519 0.1460606 0.1114146 -1.4131011 7 O -2.1364343 0.1971581 0.0370515 0.2563434 -1.1715793 0.0423519 0.1460606 -0.1114146 -1.4131011 8 O -2.1364343 -0.1971581 0.0370515 -0.2563434 -1.1715793 -0.0423519 0.1460606 0.1114146 -1.4131011 9 O -1.5711979 -0.0656800 -0.3857364 -0.1051482 -1.1383648 0.0474041 -0.5059425 0.0127414 -2.1767282 10 O -1.5711979 0.0656800 -0.3857364 0.1051482 -1.1383648 -0.0474041 -0.5059425 -0.0127414 -2.1767282 11 O -1.5711979 -0.0656800 -0.3857364 -0.1051482 -1.1383648 0.0474041 -0.5059425 0.0127414 -2.1767282 12 O -1.5711979 0.0656800 -0.3857364 0.1051482 -1.1383648 -0.0474041 -0.5059425 -0.0127414 -2.1767282 13 O -1.7656796 0.3296814 -0.3462165 0.2787722 -1.5783750 0.0951338 -0.3762422 0.1945119 -1.5948144 14 O -1.7656796 -0.3296814 -0.3462165 -0.2787722 -1.5783750 -0.0951338 -0.3762422 -0.1945119 -1.5948144 15 O -1.7656796 0.3296814 -0.3462165 0.2787722 -1.5783750 0.0951338 -0.3762422 0.1945119 -1.5948144 16 O -1.7656796 -0.3296814 -0.3462165 -0.2787722 -1.5783750 -0.0951338 -0.3762422 -0.1945119 -1.5948144 17 O -0.8695770 -0.1589729 0.1163645 -0.1766467 -2.1780996 0.9710522 0.1340616 1.0360770 -1.9758639 18 O -0.8695770 0.1589729 0.1163645 0.1766467 -2.1780996 -0.9710522 0.1340616 -1.0360770 -1.9758639 19 O -0.8695770 -0.1589729 0.1163645 -0.1766467 -2.1780996 0.9710522 0.1340616 1.0360770 -1.9758639 20 O -0.8695770 0.1589729 0.1163645 0.1766467 -2.1780996 -0.9710522 0.1340616 -1.0360770 -1.9758639 21 O -1.3144806 0.1874468 -0.0582549 0.1787066 -2.3208396 -0.1630627 -0.0772767 -0.2085516 -1.1991140 22 O -1.3144806 -0.1874468 -0.0582549 -0.1787066 -2.3208396 0.1630627 -0.0772767 0.2085516 -1.1991140 23 O -1.3144806 0.1874468 -0.0582549 0.1787066 -2.3208396 -0.1630627 -0.0772767 -0.2085516 -1.1991140 24 O -1.3144806 -0.1874468 -0.0582549 -0.1787066 -2.3208396 0.1630627 -0.0772767 0.2085516 -1.1991140 25 O -2.1276588 0.1221537 0.3894690 0.0240903 -1.5539294 0.0926060 0.4132878 -0.0382903 -1.2418026 26 O -2.1276588 -0.1221537 0.3894690 -0.0240903 -1.5539294 -0.0926060 0.4132878 0.0382903 -1.2418026 27 O -2.1276588 0.1221537 0.3894690 0.0240903 -1.5539294 0.0926060 0.4132878 -0.0382903 -1.2418026 28 O -2.1276588 -0.1221537 0.3894690 -0.0240903 -1.5539294 -0.0926060 0.4132878 0.0382903 -1.2418026 29 Mg 2.0714355 -0.0054904 -0.1405423 0.1487106 2.2387437 0.0574915 0.0532195 0.0774091 2.1669190 30 Mg 2.0714355 0.0054904 -0.1405423 -0.1487106 2.2387437 -0.0574915 0.0532195 -0.0774091 2.1669190 31 Mg 2.0714355 -0.0054904 -0.1405423 0.1487106 2.2387437 0.0574915 0.0532195 0.0774091 2.1669190 32 Mg 2.0714355 0.0054904 -0.1405423 -0.1487106 2.2387437 -0.0574915 0.0532195 -0.0774091 2.1669190 33 P 3.1831140 -0.0680658 -0.0889896 -0.0724610 3.4852082 -0.5283973 -0.0764728 -0.0719088 3.3020276 34 P 3.2407805 -0.0114964 -0.0200355 -0.0272683 3.3951703 -0.0854194 -0.0943426 0.5480679 3.4136090 35 P 3.1831140 0.0680658 -0.0889896 0.0724610 3.4852082 0.5283973 -0.0764728 0.0719088 3.3020276 36 P 3.1831140 -0.0680658 -0.0889896 -0.0724610 3.4852082 -0.5283973 -0.0764728 -0.0719088 3.3020276 37 P 3.2407805 -0.0114964 -0.0200355 -0.0272683 3.3951703 -0.0854194 -0.0943426 0.5480679 3.4136090 38 P 3.2407805 0.0114964 -0.0200355 0.0272683 3.3951703 0.0854194 -0.0943426 -0.5480679 3.4136090 39 P 3.2407805 0.0114964 -0.0200355 0.0272683 3.3951703 0.0854194 -0.0943426 -0.5480679 3.4136090 40 P 3.1831140 0.0680658 -0.0889896 0.0724610 3.4852082 0.5283973 -0.0764728 0.0719088 3.3020276 41 Sr 2.7862303 0.0522573 0.0543521 -0.0819421 2.5306075 -0.0898096 -0.0240864 0.0410052 2.3941821 42 Sr 2.7862303 -0.0522573 0.0543521 0.0819421 2.5306075 0.0898096 -0.0240864 -0.0410052 2.3941821 43 Sr 2.7862303 0.0522573 0.0543521 -0.0819421 2.5306075 -0.0898096 -0.0240864 0.0410052 2.3941821 44 Sr 2.7862303 -0.0522573 0.0543521 0.0819421 2.5306075 0.0898096 -0.0240864 -0.0410052 2.3941821 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000001 (yyy) -0.00000001 (yyy) -0.00000001 (yyy) Max drift of fc2: -0.00000000 (xx) -0.00000000 (xx) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 10 6 4 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.50, Number of G-points: 297, Lambda: 0.09 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/88) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 88 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 1.854 ( 0.000 0.000 0.000) 0.000 2.027 ( 0.000 0.000 0.000) 0.000 2.506 ( 0.000 0.000 0.000) 0.000 2.665 ( 0.000 0.000 0.000) 0.000 2.685 ( 0.000 0.000 0.000) 0.000 2.837 ( 0.000 0.000 0.000) 0.000 2.943 ( 0.000 0.000 0.000) 0.000 3.048 ( 0.000 0.000 0.000) 0.000 3.199 ( 0.000 0.000 0.000) 0.000 3.275 ( 0.000 0.000 0.000) 0.000 3.395 ( 0.000 0.000 0.000) 0.000 3.506 ( 0.000 0.000 0.000) 0.000 3.538 ( 0.000 0.000 0.000) 0.000 3.563 ( 0.000 0.000 0.000) 0.000 3.694 ( 0.000 0.000 0.000) 0.000 3.731 ( 0.000 0.000 0.000) 0.000 3.931 ( 0.000 0.000 0.000) 0.000 3.943 ( 0.000 0.000 0.000) 0.000 4.018 ( 0.000 0.000 0.000) 0.000 4.438 ( 0.000 0.000 0.000) 0.000 4.477 ( 0.000 0.000 0.000) 0.000 4.542 ( 0.000 0.000 0.000) 0.000 4.655 ( 0.000 0.000 0.000) 0.000 4.843 ( 0.000 0.000 0.000) 0.000 4.875 ( 0.000 0.000 0.000) 0.000 4.999 ( 0.000 0.000 0.000) 0.000 5.044 ( 0.000 0.000 0.000) 0.000 5.091 ( 0.000 0.000 0.000) 0.000 5.172 ( 0.000 0.000 0.000) 0.000 5.304 ( 0.000 0.000 0.000) 0.000 5.406 ( 0.000 0.000 0.000) 0.000 5.539 ( 0.000 0.000 0.000) 0.000 5.697 ( 0.000 0.000 0.000) 0.000 5.845 ( 0.000 0.000 0.000) 0.000 6.095 ( 0.000 0.000 0.000) 0.000 6.131 ( 0.000 0.000 0.000) 0.000 6.282 ( 0.000 0.000 0.000) 0.000 6.350 ( 0.000 0.000 0.000) 0.000 6.396 ( 0.000 0.000 0.000) 0.000 6.986 ( 0.000 0.000 0.000) 0.000 7.049 ( 0.000 0.000 0.000) 0.000 7.657 ( 0.000 0.000 0.000) 0.000 7.907 ( 0.000 0.000 0.000) 0.000 8.202 ( 0.000 0.000 0.000) 0.000 8.379 ( 0.000 0.000 0.000) 0.000 8.680 ( 0.000 0.000 0.000) 0.000 8.936 ( 0.000 0.000 0.000) 0.000 9.045 ( 0.000 0.000 0.000) 0.000 9.050 ( 0.000 0.000 0.000) 0.000 9.261 ( 0.000 0.000 0.000) 0.000 9.317 ( 0.000 0.000 0.000) 0.000 9.388 ( 0.000 0.000 0.000) 0.000 9.462 ( 0.000 0.000 0.000) 0.000 9.696 ( 0.000 0.000 0.000) 0.000 9.797 ( 0.000 0.000 0.000) 0.000 10.145 ( 0.000 0.000 0.000) 0.000 10.186 ( 0.000 0.000 0.000) 0.000 10.449 ( 0.000 0.000 0.000) 0.000 10.747 ( 0.000 0.000 0.000) 0.000 10.761 ( 0.000 0.000 0.000) 0.000 10.962 ( 0.000 0.000 0.000) 0.000 11.101 ( 0.000 0.000 0.000) 0.000 11.255 ( 0.000 0.000 0.000) 0.000 11.298 ( 0.000 0.000 0.000) 0.000 11.386 ( 0.000 0.000 0.000) 0.000 11.707 ( 0.000 0.000 0.000) 0.000 11.783 ( 0.000 0.000 0.000) 0.000 11.983 ( 0.000 0.000 0.000) 0.000 12.038 ( 0.000 0.000 0.000) 0.000 12.426 ( 0.000 0.000 0.000) 0.000 12.549 ( 0.000 0.000 0.000) 0.000 12.732 ( 0.000 0.000 0.000) 0.000 12.908 ( 0.000 0.000 0.000) 0.000 14.354 ( 0.000 0.000 0.000) 0.000 14.367 ( 0.000 0.000 0.000) 0.000 14.368 ( 0.000 0.000 0.000) 0.000 14.450 ( 0.000 0.000 0.000) 0.000 15.068 ( 0.000 0.000 0.000) 0.000 15.411 ( 0.000 0.000 0.000) 0.000 15.458 ( 0.000 0.000 0.000) 0.000 15.604 ( 0.000 0.000 0.000) 0.000 15.672 ( 0.000 0.000 0.000) 0.000 15.929 ( 0.000 0.000 0.000) 0.000 15.958 ( 0.000 0.000 0.000) 0.000 15.960 ( 0.000 0.000 0.000) 0.000 15.981 ( 0.000 0.000 0.000) 0.000 16.023 ( 0.000 0.000 0.000) 0.000 16.104 ( 0.000 0.000 0.000) 0.000 16.767 ( 0.000 0.000 0.000) 0.000 16.781 ( 0.000 0.000 0.000) 0.000 16.958 ( 0.000 0.000 0.000) 0.000 17.014 ( 0.000 0.000 0.000) 0.000 17.132 ( 0.000 0.000 0.000) 0.000 18.009 ( 0.000 0.000 0.000) 0.000 18.215 ( 0.000 0.000 0.000) 0.000 18.443 ( 0.000 0.000 0.000) 0.000 18.573 ( 0.000 0.000 0.000) 0.000 21.397 ( 0.000 0.000 0.000) 0.000 21.455 ( 0.000 0.000 0.000) 0.000 22.016 ( 0.000 0.000 0.000) 0.000 22.048 ( 0.000 0.000 0.000) 0.000 27.571 ( 0.000 0.000 0.000) 0.000 27.628 ( 0.000 0.000 0.000) 0.000 28.019 ( 0.000 0.000 0.000) 0.000 28.251 ( 0.000 0.000 0.000) 0.000 29.189 ( 0.000 0.000 0.000) 0.000 29.271 ( 0.000 0.000 0.000) 0.000 29.341 ( 0.000 0.000 0.000) 0.000 29.392 ( 0.000 0.000 0.000) 0.000 30.197 ( 0.000 0.000 0.000) 0.000 30.243 ( 0.000 0.000 0.000) 0.000 30.716 ( 0.000 0.000 0.000) 0.000 30.800 ( 0.000 0.000 0.000) 0.000 31.271 ( 0.000 0.000 0.000) 0.000 31.450 ( 0.000 0.000 0.000) 0.000 31.733 ( 0.000 0.000 0.000) 0.000 31.861 ( 0.000 0.000 0.000) 0.000 31.885 ( 0.000 0.000 0.000) 0.000 31.914 ( 0.000 0.000 0.000) 0.000 32.062 ( 0.000 0.000 0.000) 0.000 32.080 ( 0.000 0.000 0.000) 0.000 32.531 ( 0.000 0.000 0.000) 0.000 32.744 ( 0.000 0.000 0.000) 0.000 32.795 ( 0.000 0.000 0.000) 0.000 33.551 ( 0.000 0.000 0.000) 0.000 33.580 ( 0.000 0.000 0.000) 0.000 34.329 ( 0.000 0.000 0.000) 0.000 34.545 ( 0.000 0.000 0.000) 0.000 34.600 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/88) ======================= q-point: ( 0.10 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.707 ( 34.689 0.000 5.404) 35.107 0.740 ( 31.542 0.000 17.295) 35.972 1.203 ( 54.390 0.000 13.999) 56.163 1.935 ( 9.173 0.000 -1.242) 9.257 2.120 ( 9.619 0.000 -9.495) 13.516 2.626 ( 9.241 0.000 5.590) 10.800 2.670 ( -3.505 0.000 10.078) 10.670 2.815 ( -3.974 0.000 -5.179) 6.527 2.851 ( 5.968 0.000 1.493) 6.152 2.875 ( 6.928 0.000 4.053) 8.026 3.163 ( 13.913 0.000 -14.694) 20.236 3.178 ( 0.476 0.000 -0.838) 0.964 3.216 ( -2.648 0.000 -6.033) 6.588 3.477 ( 2.981 0.000 -2.261) 3.741 3.527 ( -8.505 0.000 7.363) 11.249 3.635 ( 3.521 0.000 7.795) 8.554 3.661 ( 11.261 0.000 4.673) 12.192 3.764 ( 2.355 0.000 3.137) 3.923 3.818 ( 4.687 0.000 10.349) 11.361 3.938 ( 0.962 0.000 0.463) 1.068 3.991 ( -1.065 0.000 -3.039) 3.220 4.012 ( 3.919 0.000 4.451) 5.931 4.374 ( -10.313 0.000 -6.448) 12.163 4.430 ( -2.844 0.000 1.730) 3.329 4.590 ( -9.573 0.000 9.552) 13.523 4.668 ( 3.609 0.000 -9.599) 10.255 4.858 ( -1.552 0.000 4.212) 4.489 4.896 ( 4.428 0.000 -2.131) 4.914 5.093 ( 5.691 0.000 1.762) 5.958 5.097 ( 3.074 0.000 -4.225) 5.225 5.203 ( 4.392 0.000 -1.831) 4.759 5.240 ( -5.168 0.000 5.125) 7.279 5.486 ( 3.706 0.000 0.713) 3.773 5.632 ( 10.402 0.000 -4.912) 11.503 5.665 ( -1.977 0.000 -1.579) 2.531 5.807 ( 1.158 0.000 -11.960) 12.015 5.912 ( -3.427 0.000 7.611) 8.347 6.033 ( -4.698 0.000 -9.263) 10.386 6.097 ( -0.127 0.000 0.933) 0.942 6.318 ( -1.123 0.000 0.692) 1.319 6.386 ( 4.595 0.000 -2.827) 5.395 6.429 ( 3.204 0.000 0.251) 3.214 7.013 ( 1.009 0.000 3.926) 4.053 7.163 ( -0.642 0.000 -1.561) 1.688 7.621 ( -4.499 0.000 1.763) 4.832 7.828 ( -10.771 0.000 -2.317) 11.017 8.190 ( -2.621 0.000 3.014) 3.994 8.331 ( -6.532 0.000 0.290) 6.539 8.594 ( -9.020 0.000 6.268) 10.984 8.858 ( -8.060 0.000 0.821) 8.102 9.069 ( 2.758 0.000 -11.253) 11.586 9.101 ( 2.917 0.000 2.614) 3.917 9.280 ( -0.232 0.000 7.301) 7.305 9.352 ( -5.132 0.000 5.091) 7.229 9.442 ( 0.571 0.000 -7.107) 7.130 9.572 ( -8.338 0.000 -3.267) 8.955 9.797 ( -0.529 0.000 1.190) 1.302 10.074 ( -2.915 0.000 21.833) 22.027 10.082 ( -4.064 0.000 -4.151) 5.810 10.174 ( -3.768 0.000 7.343) 8.253 10.623 ( -5.267 0.000 -9.428) 10.800 10.640 ( 5.389 0.000 -7.309) 9.081 10.714 ( -10.013 0.000 10.476) 14.492 11.068 ( 4.516 0.000 9.201) 10.250 11.143 ( 3.802 0.000 -2.411) 4.502 11.270 ( 5.127 0.000 -10.695) 11.860 11.331 ( 0.511 0.000 -9.634) 9.648 11.451 ( 2.738 0.000 8.763) 9.180 11.723 ( 1.013 0.000 1.529) 1.834 11.764 ( -0.574 0.000 -2.855) 2.913 11.989 ( -0.604 0.000 2.072) 2.158 12.045 ( 0.890 0.000 -0.620) 1.085 12.454 ( 3.427 0.000 -1.411) 3.706 12.753 ( 0.540 0.000 2.978) 3.026 12.842 ( 0.772 0.000 -0.236) 0.807 12.887 ( -1.603 0.000 -0.627) 1.722 14.332 ( -1.297 0.000 0.211) 1.314 14.360 ( -0.828 0.000 -0.000) 0.828 14.397 ( 1.037 0.000 2.351) 2.570 14.443 ( 0.194 0.000 -2.536) 2.543 15.091 ( -5.505 0.000 14.174) 15.205 15.302 ( -7.700 0.000 3.345) 8.395 15.552 ( 4.479 0.000 0.748) 4.542 15.570 ( -1.613 0.000 -4.541) 4.819 15.682 ( 1.157 0.000 -0.412) 1.228 15.901 ( -1.980 0.000 -0.811) 2.140 15.954 ( 1.320 0.000 0.434) 1.390 15.987 ( -0.785 0.000 0.931) 1.218 16.038 ( 4.864 0.000 -1.394) 5.060 16.088 ( 2.643 0.000 -6.061) 6.612 16.158 ( 5.730 0.000 -4.209) 7.110 16.718 ( -5.785 0.000 -0.611) 5.817 16.942 ( -1.185 0.000 -0.826) 1.444 16.990 ( 0.884 0.000 0.321) 0.940 17.126 ( 2.971 0.000 -2.069) 3.620 17.188 ( 3.489 0.000 -0.368) 3.509 18.030 ( 1.429 0.000 1.842) 2.331 18.219 ( 0.293 0.000 0.148) 0.328 18.488 ( 0.339 0.000 -6.963) 6.971 18.539 ( -3.216 0.000 -0.439) 3.246 21.459 ( 0.784 0.000 -0.632) 1.007 21.479 ( -2.107 0.000 6.978) 7.289 22.001 ( -2.090 0.000 1.371) 2.500 22.029 ( -1.315 0.000 -1.588) 2.062 27.627 ( -1.420 0.000 3.320) 3.611 27.658 ( -8.377 0.000 21.353) 22.938 27.960 ( -4.936 0.000 -2.684) 5.619 28.184 ( -6.357 0.000 -1.795) 6.606 29.198 ( 0.645 0.000 0.632) 0.903 29.273 ( 0.142 0.000 -0.084) 0.165 29.344 ( -2.001 0.000 3.101) 3.690 29.383 ( -0.641 0.000 -0.637) 0.904 30.205 ( -0.406 0.000 2.927) 2.955 30.294 ( -3.770 0.000 6.729) 7.713 30.672 ( -4.027 0.000 0.957) 4.139 30.775 ( -2.251 0.000 -1.596) 2.759 31.292 ( 2.376 0.000 -0.253) 2.390 31.466 ( 1.795 0.000 0.079) 1.797 31.782 ( 4.345 0.000 0.683) 4.398 31.880 ( 2.151 0.000 0.848) 2.312 31.937 ( 2.800 0.000 -0.656) 2.875 31.943 ( 4.625 0.000 -0.928) 4.717 32.223 ( 14.131 0.000 4.980) 14.983 32.452 ( -1.501 0.000 -9.782) 9.897 32.745 ( 9.957 0.000 -4.919) 11.105 32.817 ( 2.902 0.000 -2.074) 3.566 33.556 ( 0.335 0.000 0.683) 0.761 33.585 ( 0.796 0.000 -0.470) 0.924 34.262 ( -4.987 0.000 -3.343) 6.004 34.425 ( -2.030 0.000 5.736) 6.084 34.553 ( -0.147 0.000 2.444) 2.449 35.016 ( 6.960 0.000 -23.858) 24.852 ======================= Grid point 2 (3/88) ======================= q-point: ( 0.20 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.373 ( 31.798 0.000 3.570) 31.998 1.430 ( 29.355 0.000 11.550) 31.546 2.046 ( 20.623 0.000 1.023) 20.649 2.125 ( 3.647 0.000 -16.586) 16.982 2.280 ( 30.040 0.000 4.508) 30.377 2.679 ( -3.019 0.000 7.878) 8.437 2.801 ( 3.144 0.000 -1.823) 3.634 2.830 ( 5.189 0.000 -0.122) 5.190 2.979 ( 0.641 0.000 2.916) 2.986 3.055 ( 11.860 0.000 4.130) 12.559 3.091 ( -5.217 0.000 -1.514) 5.432 3.293 ( 16.728 0.000 8.145) 18.605 3.332 ( 9.495 0.000 -10.100) 13.863 3.452 ( -3.621 0.000 2.992) 4.697 3.638 ( 14.746 0.000 -4.263) 15.350 3.740 ( -4.051 0.000 -0.165) 4.054 3.780 ( -0.480 0.000 -3.765) 3.796 3.792 ( 6.170 0.000 7.531) 9.736 3.950 ( 4.320 0.000 -3.466) 5.539 3.993 ( 5.242 0.000 7.513) 9.161 4.093 ( -0.048 0.000 5.020) 5.021 4.108 ( 5.258 0.000 2.239) 5.715 4.202 ( 3.320 0.000 -5.373) 6.316 4.330 ( -7.120 0.000 4.060) 8.196 4.573 ( 3.623 0.000 -1.825) 4.057 4.612 ( 0.983 0.000 -16.854) 16.883 4.845 ( -0.978 0.000 1.692) 1.955 4.998 ( 5.773 0.000 2.293) 6.212 5.121 ( -0.364 0.000 -4.216) 4.232 5.196 ( 3.516 0.000 1.392) 3.781 5.230 ( 4.208 0.000 -2.058) 4.684 5.297 ( 6.125 0.000 -2.933) 6.791 5.534 ( -0.626 0.000 8.756) 8.779 5.586 ( -2.403 0.000 -5.026) 5.571 5.748 ( -1.144 0.000 -0.794) 1.393 5.802 ( 9.458 0.000 -6.344) 11.389 5.846 ( -4.238 0.000 -8.972) 9.923 5.897 ( -6.867 0.000 13.991) 15.585 6.149 ( 4.956 0.000 -0.732) 5.010 6.303 ( -1.854 0.000 2.955) 3.489 6.480 ( 7.124 0.000 -1.798) 7.347 6.514 ( 3.969 0.000 3.597) 5.356 7.064 ( 0.329 0.000 4.438) 4.450 7.126 ( -0.840 0.000 -4.376) 4.456 7.523 ( -7.202 0.000 2.279) 7.554 7.572 ( -13.079 0.000 -2.438) 13.304 8.119 ( -13.580 0.000 -2.358) 13.783 8.148 ( -4.843 0.000 4.470) 6.590 8.505 ( -7.170 0.000 9.762) 12.112 8.683 ( -8.395 0.000 -5.355) 9.958 8.913 ( -7.825 0.000 -15.516) 17.377 9.128 ( -5.519 0.000 7.054) 8.956 9.327 ( -0.349 0.000 4.659) 4.672 9.347 ( 0.526 0.000 6.481) 6.503 9.378 ( 0.090 0.000 -9.604) 9.604 9.419 ( -4.417 0.000 -3.465) 5.614 9.793 ( -1.529 0.000 2.519) 2.946 9.962 ( -3.975 0.000 -6.368) 7.507 10.098 ( -2.787 0.000 -1.556) 3.192 10.220 ( 0.219 0.000 12.826) 12.828 10.486 ( -0.332 0.000 -10.258) 10.264 10.617 ( -5.724 0.000 7.253) 9.240 10.697 ( 1.096 0.000 5.018) 5.137 11.166 ( -0.195 0.000 -0.461) 0.500 11.230 ( 3.511 0.000 11.000) 11.546 11.236 ( -0.859 0.000 -9.350) 9.389 11.278 ( 1.701 0.000 -9.460) 9.612 11.571 ( 1.490 0.000 8.691) 8.818 11.730 ( -0.183 0.000 -3.318) 3.324 11.769 ( 2.021 0.000 2.744) 3.408 11.983 ( -1.240 0.000 1.386) 1.859 12.056 ( 0.758 0.000 -1.114) 1.347 12.526 ( 5.356 0.000 -2.092) 5.750 12.772 ( -1.209 0.000 3.029) 3.261 12.856 ( -0.746 0.000 -0.551) 0.928 12.874 ( 4.208 0.000 -3.811) 5.678 14.318 ( -0.653 0.000 1.193) 1.360 14.342 ( -0.837 0.000 -0.595) 1.027 14.415 ( -0.421 0.000 -4.111) 4.133 14.436 ( 0.822 0.000 3.118) 3.224 15.104 ( -2.026 0.000 8.220) 8.466 15.210 ( -4.572 0.000 4.144) 6.171 15.488 ( -1.952 0.000 -6.852) 7.125 15.606 ( -0.892 0.000 4.106) 4.201 15.701 ( 1.631 0.000 -2.254) 2.783 15.878 ( 0.847 0.000 -2.149) 2.310 15.920 ( -4.327 0.000 2.773) 5.139 16.050 ( 5.016 0.000 -2.898) 5.793 16.106 ( 2.105 0.000 1.345) 2.497 16.112 ( 4.358 0.000 -2.264) 4.910 16.241 ( 5.398 0.000 -2.126) 5.801 16.575 ( -6.070 0.000 -3.745) 7.133 16.909 ( -1.233 0.000 -1.208) 1.726 17.052 ( 2.429 0.000 3.724) 4.447 17.177 ( 1.510 0.000 3.856) 4.141 17.233 ( 1.939 0.000 -0.329) 1.967 18.083 ( 1.974 0.000 2.865) 3.479 18.219 ( -0.534 0.000 -0.749) 0.920 18.424 ( -2.519 0.000 -4.010) 4.735 18.464 ( -3.991 0.000 0.167) 3.994 21.478 ( 2.057 0.000 -1.063) 2.315 21.499 ( 0.134 0.000 3.242) 3.245 21.960 ( -3.555 0.000 1.887) 4.025 21.978 ( -2.278 0.000 -2.649) 3.494 27.626 ( -2.148 0.000 5.402) 5.814 27.666 ( -4.151 0.000 11.632) 12.350 27.810 ( -7.371 0.000 -4.642) 8.711 27.996 ( -10.294 0.000 -4.890) 11.397 29.221 ( 1.013 0.000 1.094) 1.491 29.272 ( 0.132 0.000 -0.683) 0.696 29.328 ( -1.422 0.000 1.450) 2.031 29.361 ( -1.098 0.000 -0.737) 1.322 30.229 ( 0.585 0.000 3.300) 3.352 30.269 ( -1.571 0.000 0.445) 1.633 30.609 ( -3.932 0.000 2.704) 4.772 30.688 ( -4.871 0.000 -3.363) 5.919 31.356 ( 4.608 0.000 -0.300) 4.618 31.521 ( 3.820 0.000 0.320) 3.834 31.877 ( 2.950 0.000 2.958) 4.178 31.942 ( 2.909 0.000 1.044) 3.090 32.019 ( 7.104 0.000 -1.512) 7.263 32.022 ( 4.853 0.000 -1.092) 4.974 32.358 ( -1.025 0.000 -7.942) 8.007 32.587 ( 16.579 0.000 8.624) 18.688 32.851 ( 2.661 0.000 -4.360) 5.108 32.902 ( 7.854 0.000 0.849) 7.900 33.581 ( 1.711 0.000 1.386) 2.201 33.606 ( 1.690 0.000 0.142) 1.696 34.124 ( -4.818 0.000 -6.637) 8.201 34.420 ( -2.599 0.000 3.594) 4.435 34.585 ( 0.385 0.000 5.924) 5.937 34.952 ( 1.553 0.000 -13.048) 13.140 ======================= Grid point 3 (4/88) ======================= q-point: ( 0.30 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.912 ( 23.036 0.000 -2.822) 23.208 1.986 ( 22.640 0.000 2.864) 22.821 2.168 ( 13.881 0.000 -7.704) 15.875 2.356 ( 13.975 0.000 3.251) 14.348 2.617 ( 4.137 0.000 -7.395) 8.473 2.694 ( 0.283 0.000 4.948) 4.956 2.827 ( 3.960 0.000 2.066) 4.467 2.912 ( 3.609 0.000 -1.573) 3.937 2.958 ( 0.173 0.000 1.449) 1.460 2.984 ( -6.259 0.000 3.636) 7.238 3.369 ( 3.110 0.000 5.374) 6.209 3.425 ( 7.837 0.000 -9.430) 12.262 3.479 ( 10.243 0.000 -0.009) 10.244 3.522 ( -10.628 0.000 -3.279) 11.123 3.635 ( -5.341 0.000 -4.229) 6.812 3.738 ( 13.416 0.000 15.130) 20.222 3.905 ( 0.643 0.000 1.838) 1.947 3.923 ( 1.686 0.000 -2.072) 2.671 4.022 ( 2.211 0.000 -5.688) 6.103 4.091 ( -0.075 0.000 6.335) 6.335 4.165 ( 11.338 0.000 0.083) 11.338 4.183 ( 8.817 0.000 6.935) 11.218 4.324 ( 5.846 0.000 1.421) 6.016 4.333 ( 3.720 0.000 -0.071) 3.721 4.494 ( 1.721 0.000 -14.617) 14.717 4.642 ( 6.697 0.000 -7.726) 10.224 4.889 ( 4.951 0.000 -2.432) 5.516 5.028 ( -1.841 0.000 -8.066) 8.274 5.091 ( -6.582 0.000 5.292) 8.445 5.184 ( 4.206 0.000 -5.850) 7.205 5.319 ( 7.581 0.000 -5.158) 9.170 5.402 ( 6.875 0.000 1.574) 7.053 5.598 ( 0.822 0.000 9.963) 9.997 5.637 ( 0.955 0.000 10.770) 10.812 5.716 ( 1.398 0.000 -3.372) 3.650 5.769 ( 4.266 0.000 -1.106) 4.407 5.879 ( -5.719 0.000 13.846) 14.980 5.947 ( 8.593 0.000 -8.251) 11.913 6.242 ( 3.590 0.000 1.330) 3.829 6.293 ( -2.035 0.000 3.794) 4.305 6.610 ( 7.227 0.000 -1.691) 7.422 6.613 ( 2.381 0.000 5.194) 5.713 7.068 ( -3.186 0.000 2.834) 4.264 7.071 ( -1.097 0.000 -4.203) 4.344 7.331 ( -9.856 0.000 -3.153) 10.348 7.398 ( -7.357 0.000 1.453) 7.500 7.857 ( -11.122 0.000 -1.584) 11.234 8.075 ( -6.060 0.000 2.981) 6.753 8.462 ( -4.346 0.000 7.931) 9.044 8.466 ( -9.695 0.000 -6.836) 11.863 8.607 ( -9.749 0.000 -15.546) 18.350 9.041 ( -7.014 0.000 5.105) 8.675 9.278 ( -2.148 0.000 -6.382) 6.734 9.342 ( -1.756 0.000 -2.638) 3.169 9.378 ( -1.595 0.000 4.475) 4.750 9.412 ( 2.584 0.000 3.815) 4.608 9.774 ( -4.774 0.000 7.969) 9.290 9.852 ( 0.392 0.000 -11.795) 11.802 10.015 ( -3.988 0.000 -0.690) 4.047 10.321 ( 3.762 0.000 2.640) 4.596 10.463 ( 4.757 0.000 -7.537) 8.913 10.619 ( -1.022 0.000 8.935) 8.993 10.756 ( -0.700 0.000 8.926) 8.954 11.104 ( -6.756 0.000 0.572) 6.781 11.140 ( -2.613 0.000 -6.124) 6.659 11.213 ( -0.041 0.000 -11.668) 11.668 11.366 ( 2.718 0.000 9.207) 9.600 11.614 ( -2.231 0.000 5.258) 5.712 11.710 ( 0.394 0.000 -2.560) 2.590 11.836 ( 2.526 0.000 3.284) 4.143 11.984 ( 0.516 0.000 1.263) 1.365 12.051 ( -0.310 0.000 -1.379) 1.413 12.612 ( 5.104 0.000 -2.047) 5.499 12.760 ( -1.332 0.000 0.518) 1.429 12.859 ( 0.931 0.000 0.381) 1.006 12.926 ( 3.762 0.000 -3.128) 4.892 14.322 ( -0.635 0.000 -0.920) 1.117 14.324 ( 0.068 0.000 1.510) 1.511 14.371 ( -0.772 0.000 -3.851) 3.928 14.474 ( 0.679 0.000 2.867) 2.947 15.140 ( 0.155 0.000 5.641) 5.643 15.199 ( -0.291 0.000 4.589) 4.598 15.405 ( -1.422 0.000 -6.316) 6.474 15.579 ( -4.739 0.000 3.468) 5.872 15.705 ( 1.040 0.000 -2.985) 3.161 15.853 ( -4.745 0.000 2.707) 5.463 15.895 ( 2.158 0.000 -1.759) 2.785 16.079 ( 1.420 0.000 -2.906) 3.234 16.168 ( 3.406 0.000 -2.037) 3.969 16.206 ( 5.048 0.000 3.291) 6.026 16.321 ( 4.380 0.000 -1.642) 4.678 16.464 ( -2.556 0.000 -3.579) 4.398 16.885 ( -0.314 0.000 -0.927) 0.979 17.096 ( -0.061 0.000 1.274) 1.275 17.234 ( 0.825 0.000 4.804) 4.875 17.271 ( 1.370 0.000 2.307) 2.683 18.139 ( 1.513 0.000 2.818) 3.199 18.172 ( -2.819 0.000 -3.250) 4.302 18.341 ( -3.102 0.000 -3.030) 4.336 18.413 ( -2.142 0.000 2.004) 2.933 21.524 ( 3.761 0.000 -1.122) 3.925 21.531 ( 1.057 0.000 1.895) 2.169 21.897 ( -4.548 0.000 1.762) 4.878 21.910 ( -2.508 0.000 -2.744) 3.717 27.629 ( -1.975 0.000 5.537) 5.879 27.635 ( -6.868 0.000 -4.745) 8.348 27.678 ( -2.340 0.000 7.534) 7.889 27.760 ( -9.149 0.000 -6.506) 11.226 29.249 ( 0.977 0.000 1.214) 1.558 29.269 ( 0.246 0.000 -1.049) 1.077 29.315 ( -0.861 0.000 0.974) 1.300 29.334 ( -1.199 0.000 -0.559) 1.323 30.246 ( -0.336 0.000 -1.510) 1.547 30.280 ( 2.313 0.000 2.639) 3.509 30.552 ( -6.054 0.000 -4.110) 7.317 30.560 ( -3.912 0.000 3.235) 5.076 31.458 ( 6.203 0.000 -0.003) 6.203 31.607 ( 4.738 0.000 0.494) 4.764 31.907 ( -2.120 0.000 2.511) 3.287 31.970 ( -0.506 0.000 -0.108) 0.517 32.136 ( 7.391 0.000 1.105) 7.473 32.166 ( 8.806 0.000 -1.357) 8.910 32.306 ( 0.950 0.000 -5.023) 5.112 32.822 ( -1.229 0.000 -3.543) 3.750 32.920 ( 10.566 0.000 4.926) 11.658 33.034 ( 4.683 0.000 1.808) 5.020 33.648 ( 4.006 0.000 2.165) 4.554 33.661 ( 2.842 0.000 3.762) 4.715 34.001 ( -1.448 0.000 -9.345) 9.457 34.375 ( -4.038 0.000 0.982) 4.156 34.654 ( 1.057 0.000 7.438) 7.513 34.888 ( 0.455 0.000 -8.024) 8.037 ======================= Grid point 4 (5/88) ======================= q-point: ( 0.40 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.228 ( 15.549 0.000 -2.606) 15.766 2.287 ( 8.190 0.000 -1.032) 8.255 2.421 ( 10.094 0.000 -1.291) 10.176 2.484 ( 1.709 0.000 -4.734) 5.033 2.759 ( 13.652 0.000 2.660) 13.909 2.789 ( 6.926 0.000 -1.519) 7.091 2.885 ( 1.356 0.000 1.788) 2.244 2.902 ( -2.237 0.000 1.933) 2.957 2.987 ( 1.331 0.000 1.182) 1.780 2.990 ( 3.021 0.000 5.661) 6.417 3.267 ( -11.873 0.000 -2.720) 12.181 3.335 ( -7.504 0.000 3.153) 8.139 3.460 ( 0.871 0.000 -9.359) 9.400 3.548 ( -0.193 0.000 -2.779) 2.785 3.676 ( 9.456 0.000 -1.918) 9.649 3.777 ( -6.257 0.000 1.115) 6.356 3.854 ( -4.533 0.000 -1.893) 4.912 4.000 ( 0.905 0.000 -5.505) 5.579 4.015 ( 3.193 0.000 4.853) 5.809 4.158 ( 0.589 0.000 0.334) 0.677 4.218 ( -6.372 0.000 7.197) 9.612 4.323 ( 5.351 0.000 6.586) 8.485 4.349 ( 0.859 0.000 -4.281) 4.367 4.542 ( 6.585 0.000 -4.389) 7.914 4.568 ( 6.509 0.000 1.175) 6.614 4.716 ( 9.243 0.000 -7.164) 11.694 4.907 ( -9.434 0.000 2.455) 9.748 4.912 ( 0.847 0.000 -4.678) 4.754 4.998 ( 3.013 0.000 -3.762) 4.820 5.331 ( 8.249 0.000 2.816) 8.717 5.459 ( 9.415 0.000 -3.169) 9.934 5.561 ( 7.757 0.000 5.339) 9.416 5.671 ( 2.494 0.000 -0.897) 2.650 5.682 ( 1.967 0.000 3.019) 3.603 5.840 ( 4.626 0.000 5.747) 7.378 5.866 ( 5.141 0.000 -0.883) 5.216 5.900 ( -3.937 0.000 13.440) 14.005 6.035 ( 10.507 0.000 -13.001) 16.716 6.260 ( -5.594 0.000 7.810) 9.607 6.279 ( -2.123 0.000 2.665) 3.407 6.670 ( -0.033 0.000 3.089) 3.089 6.687 ( 2.121 0.000 -2.066) 2.961 7.008 ( -3.606 0.000 1.064) 3.760 7.047 ( 0.883 0.000 -0.949) 1.296 7.161 ( -5.477 0.000 -2.844) 6.172 7.274 ( -6.363 0.000 1.327) 6.500 7.704 ( -4.157 0.000 -1.176) 4.320 7.949 ( -6.832 0.000 -3.480) 7.667 8.257 ( -7.561 0.000 -0.141) 7.563 8.372 ( -3.960 0.000 -11.656) 12.311 8.464 ( -1.014 0.000 5.135) 5.234 8.969 ( -3.423 0.000 2.379) 4.168 9.197 ( -1.751 0.000 -4.374) 4.712 9.301 ( -0.897 0.000 -1.550) 1.791 9.370 ( -1.554 0.000 2.221) 2.711 9.459 ( -0.177 0.000 1.887) 1.895 9.754 ( -4.921 0.000 12.698) 13.618 9.804 ( 3.945 0.000 -13.248) 13.823 9.957 ( -1.876 0.000 0.031) 1.876 10.393 ( 3.342 0.000 -1.570) 3.692 10.537 ( 7.826 0.000 -4.761) 9.160 10.693 ( 1.017 0.000 8.973) 9.031 10.802 ( -1.564 0.000 8.181) 8.330 10.931 ( -11.107 0.000 0.608) 11.124 11.055 ( -1.164 0.000 -5.711) 5.828 11.111 ( -1.895 0.000 -8.903) 9.103 11.472 ( 2.900 0.000 4.438) 5.302 11.595 ( -2.721 0.000 3.162) 4.172 11.703 ( 0.372 0.000 -1.450) 1.497 11.909 ( 2.464 0.000 3.055) 3.925 12.009 ( 0.807 0.000 1.131) 1.389 12.022 ( -1.448 0.000 -1.734) 2.260 12.678 ( 3.124 0.000 -1.293) 3.381 12.738 ( -0.845 0.000 -0.441) 0.954 12.884 ( 0.956 0.000 0.656) 1.159 12.961 ( 2.008 0.000 -1.852) 2.732 14.305 ( -0.338 0.000 -0.774) 0.845 14.336 ( -0.486 0.000 -2.084) 2.140 14.338 ( 0.250 0.000 1.002) 1.033 14.503 ( 0.536 0.000 1.747) 1.827 15.190 ( 1.305 0.000 3.184) 3.441 15.254 ( 2.218 0.000 3.318) 3.991 15.341 ( -1.163 0.000 -3.917) 4.086 15.503 ( -4.795 0.000 1.820) 5.129 15.698 ( 0.446 0.000 -2.458) 2.498 15.792 ( -3.226 0.000 1.697) 3.645 15.918 ( 1.109 0.000 -0.882) 1.416 16.078 ( 0.406 0.000 -1.424) 1.481 16.212 ( 2.309 0.000 -0.782) 2.438 16.312 ( 3.430 0.000 2.534) 4.265 16.374 ( 2.398 0.000 -1.567) 2.864 16.416 ( -0.585 0.000 -2.233) 2.309 16.882 ( 0.307 0.000 -0.344) 0.461 17.085 ( -0.882 0.000 -0.276) 0.924 17.276 ( 0.339 0.000 3.076) 3.094 17.310 ( 0.594 0.000 2.409) 2.481 18.088 ( -2.673 0.000 -3.126) 4.113 18.180 ( 0.814 0.000 2.141) 2.291 18.270 ( -2.155 0.000 -2.215) 3.090 18.402 ( -0.867 0.000 1.687) 1.897 21.563 ( 0.997 0.000 0.968) 1.390 21.600 ( 4.930 0.000 -0.934) 5.017 21.817 ( -5.094 0.000 1.346) 5.268 21.851 ( -1.739 0.000 -1.761) 2.475 27.501 ( -3.758 0.000 -2.863) 4.725 27.579 ( -5.140 0.000 -4.445) 6.795 27.635 ( -1.129 0.000 3.533) 3.709 27.690 ( -1.061 0.000 3.878) 4.020 29.268 ( 0.363 0.000 -0.721) 0.807 29.272 ( 0.580 0.000 0.856) 1.034 29.310 ( -0.352 0.000 0.523) 0.630 29.310 ( -0.912 0.000 -0.335) 0.971 30.238 ( 0.691 0.000 -1.378) 1.541 30.349 ( 3.107 0.000 1.346) 3.386 30.418 ( -4.728 0.000 -2.825) 5.508 30.508 ( -3.742 0.000 2.220) 4.351 31.584 ( 6.966 0.000 0.319) 6.973 31.696 ( 3.897 0.000 0.472) 3.926 31.842 ( -5.662 0.000 0.668) 5.701 31.939 ( -1.887 0.000 -0.573) 1.972 32.298 ( 5.065 0.000 -0.392) 5.080 32.305 ( 8.132 0.000 3.561) 8.878 32.309 ( 2.110 0.000 -2.288) 3.112 32.717 ( -5.288 0.000 -5.762) 7.821 33.085 ( 3.919 0.000 2.662) 4.737 33.103 ( 1.635 0.000 1.191) 2.023 33.752 ( 4.393 0.000 2.327) 4.971 33.760 ( 1.958 0.000 8.346) 8.573 33.928 ( 1.488 0.000 -10.591) 10.695 34.295 ( -3.892 0.000 -0.975) 4.012 34.720 ( 0.665 0.000 4.902) 4.946 34.850 ( 0.247 0.000 -3.790) 3.798 ======================= Grid point 5 (6/88) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 44 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.332 ( 0.000 0.000 0.000) 0.000 2.415 ( 0.000 0.000 0.000) 0.000 2.478 ( 0.000 0.000 0.000) 0.000 2.499 ( 0.000 0.000 0.000) 0.000 2.815 ( 0.000 0.000 0.000) 0.000 2.866 ( 0.000 0.000 0.000) 0.000 2.933 ( 0.000 0.000 0.000) 0.000 2.944 ( 0.000 0.000 0.000) 0.000 3.098 ( -0.000 0.000 0.000) 0.000 3.100 ( 0.000 0.000 -0.000) 0.000 3.126 ( -0.000 0.000 0.000) 0.000 3.163 ( 0.000 0.000 0.000) 0.000 3.400 ( 0.000 0.000 0.000) 0.000 3.532 ( 0.000 0.000 0.000) 0.000 3.687 ( 0.000 0.000 -0.000) 0.000 3.794 ( 0.000 0.000 0.000) 0.000 3.809 ( 0.000 0.000 0.000) 0.000 3.991 ( 0.000 0.000 -0.000) 0.000 4.054 ( 0.000 0.000 0.000) 0.000 4.120 ( 0.000 0.000 0.000) 0.000 4.168 ( -0.000 0.000 0.000) 0.000 4.342 ( 0.000 0.000 0.000) 0.000 4.481 ( 0.000 0.000 0.000) 0.000 4.539 ( 0.000 0.000 0.000) 0.000 4.580 ( 0.000 0.000 0.000) 0.000 4.800 ( 0.000 0.000 0.000) 0.000 4.832 ( 0.000 0.000 -0.000) 0.000 4.899 ( 0.000 0.000 0.000) 0.000 5.021 ( 0.000 0.000 0.000) 0.000 5.427 ( 0.000 0.000 0.000) 0.000 5.545 ( 0.000 0.000 0.000) 0.000 5.696 ( 0.000 0.000 -0.000) 0.000 5.708 ( 0.000 0.000 0.000) 0.000 5.786 ( 0.000 0.000 0.000) 0.000 5.820 ( -0.000 0.000 -0.000) 0.000 5.904 ( 0.000 0.000 0.000) 0.000 5.940 ( 0.000 0.000 0.000) 0.000 6.122 ( 0.000 0.000 -0.000) 0.000 6.203 ( -0.000 0.000 0.000) 0.000 6.263 ( 0.000 0.000 -0.000) 0.000 6.669 ( 0.000 0.000 0.000) 0.000 6.691 ( 0.000 0.000 0.000) 0.000 6.979 ( 0.000 0.000 0.000) 0.000 7.055 ( 0.000 0.000 -0.000) 0.000 7.100 ( 0.000 0.000 0.000) 0.000 7.212 ( 0.000 0.000 0.000) 0.000 7.664 ( 0.000 0.000 0.000) 0.000 7.850 ( 0.000 0.000 0.000) 0.000 8.190 ( 0.000 0.000 0.000) 0.000 8.288 ( 0.000 0.000 -0.000) 0.000 8.479 ( 0.000 0.000 0.000) 0.000 8.947 ( 0.000 0.000 0.000) 0.000 9.160 ( 0.000 0.000 -0.000) 0.000 9.286 ( 0.000 0.000 -0.000) 0.000 9.363 ( 0.000 0.000 0.000) 0.000 9.458 ( 0.000 0.000 0.000) 0.000 9.770 ( 0.000 0.000 -0.000) 0.000 9.784 ( -0.000 0.000 0.000) 0.000 9.941 ( 0.000 0.000 0.000) 0.000 10.419 ( 0.000 0.000 0.000) 0.000 10.643 ( 0.000 0.000 0.000) 0.000 10.754 ( 0.000 0.000 0.000) 0.000 10.772 ( 0.000 0.000 0.000) 0.000 10.814 ( 0.000 0.000 0.000) 0.000 11.034 ( -0.000 0.000 -0.000) 0.000 11.034 ( 0.000 0.000 0.000) 0.000 11.530 ( 0.000 0.000 0.000) 0.000 11.570 ( 0.000 0.000 0.000) 0.000 11.701 ( 0.000 0.000 0.000) 0.000 11.972 ( 0.000 0.000 0.000) 0.000 11.973 ( -0.000 0.000 -0.000) 0.000 12.022 ( 0.000 0.000 0.000) 0.000 12.704 ( 0.000 0.000 0.000) 0.000 12.727 ( 0.000 0.000 0.000) 0.000 12.896 ( 0.000 0.000 0.000) 0.000 12.973 ( 0.000 0.000 0.000) 0.000 14.299 ( 0.000 0.000 0.000) 0.000 14.323 ( 0.000 0.000 -0.000) 0.000 14.345 ( 0.000 0.000 0.000) 0.000 14.516 ( 0.000 0.000 0.000) 0.000 15.221 ( 0.000 0.000 0.000) 0.000 15.298 ( 0.000 0.000 0.000) 0.000 15.310 ( 0.000 0.000 0.000) 0.000 15.456 ( 0.000 0.000 -0.000) 0.000 15.691 ( 0.000 0.000 0.000) 0.000 15.767 ( 0.000 0.000 0.000) 0.000 15.924 ( 0.000 0.000 0.000) 0.000 16.076 ( 0.000 0.000 0.000) 0.000 16.233 ( 0.000 0.000 0.000) 0.000 16.359 ( 0.000 0.000 0.000) 0.000 16.388 ( 0.000 0.000 -0.000) 0.000 16.402 ( 0.000 0.000 0.000) 0.000 16.885 ( 0.000 0.000 0.000) 0.000 17.074 ( 0.000 0.000 0.000) 0.000 17.291 ( 0.000 0.000 0.000) 0.000 17.326 ( 0.000 0.000 0.000) 0.000 18.048 ( 0.000 0.000 0.000) 0.000 18.200 ( 0.000 0.000 0.000) 0.000 18.236 ( 0.000 0.000 0.000) 0.000 18.401 ( 0.000 0.000 0.000) 0.000 21.577 ( 0.000 0.000 0.000) 0.000 21.666 ( 0.000 0.000 -0.000) 0.000 21.752 ( -0.000 0.000 0.000) 0.000 21.826 ( 0.000 0.000 0.000) 0.000 27.456 ( 0.000 0.000 0.000) 0.000 27.511 ( 0.000 0.000 0.000) 0.000 27.638 ( 0.000 0.000 0.000) 0.000 27.695 ( 0.000 0.000 0.000) 0.000 29.269 ( 0.000 0.000 0.000) 0.000 29.281 ( 0.000 0.000 0.000) 0.000 29.299 ( -0.000 0.000 0.000) 0.000 29.309 ( 0.000 0.000 0.000) 0.000 30.244 ( 0.000 0.000 0.000) 0.000 30.356 ( 0.000 0.000 0.000) 0.000 30.396 ( 0.000 0.000 0.000) 0.000 30.469 ( 0.000 0.000 0.000) 0.000 31.708 ( 0.000 0.000 0.000) 0.000 31.733 ( -0.000 0.000 0.000) 0.000 31.741 ( 0.000 0.000 0.000) 0.000 31.913 ( 0.000 0.000 0.000) 0.000 32.318 ( 0.000 0.000 0.000) 0.000 32.351 ( 0.000 0.000 0.000) 0.000 32.442 ( -0.000 0.000 -0.000) 0.000 32.596 ( 0.000 0.000 0.000) 0.000 33.121 ( 0.000 0.000 0.000) 0.000 33.128 ( 0.000 0.000 0.000) 0.000 33.811 ( 0.000 0.000 -0.000) 0.000 33.825 ( 0.000 0.000 0.000) 0.000 33.894 ( 0.000 0.000 0.000) 0.000 34.246 ( 0.000 0.000 0.000) 0.000 34.746 ( 0.000 0.000 0.000) 0.000 34.838 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 11 (7/88) ======================= q-point: ( 0.00 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 66 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.661 ( 0.000 32.224 0.000) 32.224 0.771 ( 0.000 37.558 0.000) 37.558 1.263 ( 0.000 58.559 0.000) 58.559 1.925 ( 0.000 7.471 0.000) 7.471 2.111 ( 0.000 7.718 0.000) 7.718 2.448 ( 0.000 -5.192 0.000) 5.192 2.696 ( 0.000 -4.531 0.000) 4.531 2.748 ( 0.000 -6.668 0.000) 6.668 2.791 ( 0.000 -13.311 0.000) 13.311 2.878 ( 0.000 15.076 0.000) 15.076 3.024 ( 0.000 3.805 0.000) 3.805 3.138 ( 0.000 1.502 0.000) 1.502 3.263 ( 0.000 -0.143 0.000) 0.143 3.481 ( 0.000 -2.101 0.000) 2.101 3.502 ( 0.000 -2.083 0.000) 2.083 3.581 ( 0.000 -7.778 0.000) 7.778 3.592 ( 0.000 0.458 0.000) 0.458 3.760 ( 0.000 0.725 0.000) 0.725 3.776 ( 0.000 7.777 0.000) 7.777 3.945 ( 0.000 2.588 0.000) 2.588 4.035 ( 0.000 7.100 0.000) 7.100 4.130 ( 0.000 -4.040 0.000) 4.040 4.398 ( 0.000 -4.367 0.000) 4.367 4.429 ( 0.000 0.546 0.000) 0.546 4.561 ( 0.000 -6.153 0.000) 6.153 4.649 ( 0.000 5.355 0.000) 5.355 4.748 ( 0.000 -8.201 0.000) 8.201 4.848 ( 0.000 -0.198 0.000) 0.198 4.931 ( 0.000 -7.100 0.000) 7.100 5.030 ( 0.000 -5.763 0.000) 5.763 5.039 ( 0.000 -0.745 0.000) 0.745 5.287 ( 0.000 12.762 0.000) 12.762 5.405 ( 0.000 5.927 0.000) 5.927 5.441 ( 0.000 3.288 0.000) 3.288 5.543 ( 0.000 2.122 0.000) 2.122 5.690 ( 0.000 -0.603 0.000) 0.603 6.008 ( 0.000 8.352 0.000) 8.352 6.119 ( 0.000 4.717 0.000) 4.717 6.237 ( 0.000 -6.289 0.000) 6.289 6.321 ( 0.000 0.772 0.000) 0.772 6.371 ( 0.000 0.928 0.000) 0.928 6.605 ( 0.000 13.665 0.000) 13.665 6.771 ( 0.000 -14.341 0.000) 14.341 7.182 ( 0.000 4.318 0.000) 4.318 7.538 ( 0.000 -11.675 0.000) 11.675 7.816 ( 0.000 -8.019 0.000) 8.019 8.079 ( 0.000 -11.335 0.000) 11.335 8.329 ( 0.000 -3.609 0.000) 3.609 8.728 ( 0.000 5.527 0.000) 5.527 8.960 ( 0.000 -7.638 0.000) 7.638 9.070 ( 0.000 9.454 0.000) 9.454 9.079 ( 0.000 2.870 0.000) 2.870 9.254 ( 0.000 -3.177 0.000) 3.177 9.265 ( 0.000 -3.976 0.000) 3.976 9.370 ( 0.000 -2.754 0.000) 2.754 9.624 ( 0.000 -0.501 0.000) 0.501 9.816 ( 0.000 3.260 0.000) 3.260 9.865 ( 0.000 5.578 0.000) 5.578 10.077 ( 0.000 -22.252 0.000) 22.252 10.158 ( 0.000 -5.001 0.000) 5.001 10.250 ( 0.000 6.403 0.000) 6.403 10.723 ( 0.000 -3.326 0.000) 3.326 10.765 ( 0.000 -1.762 0.000) 1.762 11.007 ( 0.000 -4.088 0.000) 4.088 11.071 ( 0.000 -4.006 0.000) 4.006 11.161 ( 0.000 -9.588 0.000) 9.588 11.236 ( 0.000 -0.229 0.000) 0.229 11.341 ( 0.000 0.460 0.000) 0.460 11.808 ( 0.000 3.479 0.000) 3.479 11.912 ( 0.000 -7.940 0.000) 7.940 11.956 ( 0.000 1.121 0.000) 1.121 12.272 ( 0.000 -10.852 0.000) 10.852 12.625 ( 0.000 10.340 0.000) 10.340 12.738 ( 0.000 13.670 0.000) 13.670 12.879 ( 0.000 8.412 0.000) 8.412 12.946 ( 0.000 3.779 0.000) 3.779 14.345 ( 0.000 -0.375 0.000) 0.375 14.374 ( 0.000 1.051 0.000) 1.051 14.473 ( 0.000 1.768 0.000) 1.768 14.676 ( 0.000 -4.294 0.000) 4.294 15.060 ( 0.000 -0.641 0.000) 0.641 15.454 ( 0.000 3.746 0.000) 3.746 15.484 ( 0.000 -9.917 0.000) 9.917 15.666 ( 0.000 -0.529 0.000) 0.529 15.934 ( 0.000 3.766 0.000) 3.766 15.952 ( 0.000 1.271 0.000) 1.271 15.992 ( 0.000 0.898 0.000) 0.898 16.076 ( 0.000 8.132 0.000) 8.132 16.134 ( 0.000 8.846 0.000) 8.846 16.163 ( 0.000 6.970 0.000) 6.970 16.689 ( 0.000 -6.121 0.000) 6.121 16.784 ( 0.000 0.239 0.000) 0.239 16.803 ( 0.000 -4.195 0.000) 4.195 16.900 ( 0.000 -4.084 0.000) 4.084 17.119 ( 0.000 -1.289 0.000) 1.289 17.152 ( 0.000 3.379 0.000) 3.379 17.959 ( 0.000 -3.919 0.000) 3.919 18.227 ( 0.000 -0.488 0.000) 0.488 18.382 ( 0.000 -5.950 0.000) 5.950 18.518 ( 0.000 -4.886 0.000) 4.886 21.523 ( 0.000 10.598 0.000) 10.598 21.610 ( 0.000 3.235 0.000) 3.235 22.015 ( 0.000 0.020 0.000) 0.020 22.072 ( 0.000 2.007 0.000) 2.007 27.584 ( 0.000 1.176 0.000) 1.176 27.631 ( 0.000 0.222 0.000) 0.222 28.297 ( 0.000 4.332 0.000) 4.332 28.793 ( 0.000 -3.484 0.000) 3.484 29.184 ( 0.000 -0.434 0.000) 0.434 29.231 ( 0.000 -2.467 0.000) 2.467 29.400 ( 0.000 4.364 0.000) 4.364 29.777 ( 0.000 -2.868 0.000) 2.868 30.243 ( 0.000 0.030 0.000) 0.030 30.271 ( 0.000 -0.265 0.000) 0.265 30.737 ( 0.000 2.005 0.000) 2.005 30.812 ( 0.000 1.001 0.000) 1.001 31.289 ( 0.000 1.794 0.000) 1.794 31.450 ( 0.000 -0.121 0.000) 0.121 31.720 ( 0.000 -1.005 0.000) 1.005 31.884 ( 0.000 -2.799 0.000) 2.799 31.904 ( 0.000 1.682 0.000) 1.682 32.047 ( 0.000 -0.916 0.000) 0.916 32.084 ( 0.000 0.457 0.000) 0.457 32.187 ( 0.000 -1.003 0.000) 1.003 32.538 ( 0.000 0.670 0.000) 0.670 32.715 ( 0.000 -2.438 0.000) 2.438 32.811 ( 0.000 1.406 0.000) 1.406 33.369 ( 0.000 -13.670 0.000) 13.670 34.265 ( 0.000 9.855 0.000) 9.855 34.547 ( 0.000 0.137 0.000) 0.137 34.645 ( 0.000 4.187 0.000) 4.187 35.101 ( 0.000 -3.163 0.000) 3.163 ======================= Grid point 12 (8/88) ======================= q-point: ( 0.10 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.984 ( 17.837 22.520 14.052) 31.980 1.065 ( 23.178 23.072 11.533) 34.678 1.659 ( 33.819 37.189 1.131) 50.280 1.976 ( 10.763 7.320 -4.323) 13.715 2.171 ( 6.613 4.058 -9.238) 12.064 2.549 ( 7.135 -6.229 2.997) 9.935 2.697 ( 1.825 -8.103 2.284) 8.615 2.791 ( 1.237 -2.856 -2.265) 3.849 2.881 ( 10.562 3.570 4.433) 11.998 2.887 ( 2.225 9.743 8.503) 13.122 3.090 ( -1.758 3.412 5.030) 6.327 3.165 ( 10.265 -1.611 -11.241) 15.307 3.356 ( 5.236 5.312 3.799) 8.370 3.490 ( -0.004 -3.161 2.999) 4.357 3.518 ( -0.412 1.131 1.458) 1.891 3.550 ( -0.021 -12.403 -0.652) 12.420 3.603 ( 3.342 -1.043 -1.455) 3.792 3.760 ( -0.065 5.660 -0.952) 5.740 3.837 ( 5.257 0.584 2.949) 6.056 3.955 ( 0.400 -1.899 1.498) 2.452 4.061 ( 2.434 8.684 -0.379) 9.026 4.152 ( 2.020 2.405 3.429) 4.650 4.373 ( -2.601 -1.347 -0.432) 2.961 4.402 ( -3.088 -2.332 0.522) 3.904 4.550 ( -1.324 3.650 -3.319) 5.108 4.615 ( 2.970 -0.787 -3.391) 4.576 4.811 ( -0.342 -5.395 5.502) 7.713 4.847 ( 1.575 -6.829 -4.822) 8.507 4.980 ( 4.365 -6.370 -2.154) 8.016 5.025 ( 3.785 -5.036 -3.341) 7.131 5.219 ( 1.917 0.674 7.527) 7.796 5.351 ( 3.809 6.639 -3.476) 8.407 5.458 ( 2.211 -1.278 6.270) 6.770 5.530 ( 9.792 -6.071 -5.797) 12.897 5.612 ( 6.558 0.117 -2.777) 7.123 5.676 ( -0.343 0.582 2.156) 2.260 5.972 ( -2.934 1.978 -6.988) 7.833 6.094 ( -0.906 6.162 -0.807) 6.280 6.154 ( -5.500 0.404 5.932) 8.100 6.290 ( 0.454 2.011 -2.318) 3.102 6.466 ( 2.210 7.423 2.608) 8.173 6.566 ( -0.102 6.239 -2.666) 6.785 6.837 ( 2.614 -16.027 4.973) 16.983 7.185 ( 0.536 3.220 -0.972) 3.406 7.499 ( -5.093 -10.586 2.676) 12.048 7.734 ( -7.760 -6.847 -0.975) 10.395 8.052 ( -2.972 -11.458 1.592) 11.944 8.266 ( -6.563 -4.747 -0.473) 8.114 8.605 ( -10.529 2.458 2.578) 11.116 8.914 ( -7.969 3.072 -3.346) 9.172 9.005 ( -0.858 -4.431 4.921) 6.677 9.043 ( -2.587 -0.887 -4.280) 5.079 9.274 ( -0.523 -4.427 1.382) 4.667 9.335 ( 1.433 1.942 3.747) 4.457 9.409 ( 4.428 -1.883 -6.916) 8.425 9.660 ( -2.886 -2.319 7.037) 7.952 9.796 ( -1.151 1.160 1.121) 1.981 9.865 ( 1.941 0.288 -1.092) 2.246 10.098 ( -4.762 -2.288 1.730) 5.559 10.119 ( 0.012 -13.259 2.130) 13.428 10.343 ( 8.947 -5.404 -1.859) 10.617 10.650 ( -5.552 -3.138 -0.190) 6.381 10.730 ( -4.690 2.447 1.282) 5.443 11.051 ( 3.450 -8.026 2.675) 9.136 11.093 ( 3.707 -5.126 -6.936) 9.387 11.177 ( 0.735 -5.136 4.514) 6.878 11.244 ( -0.087 -2.605 -3.031) 3.998 11.399 ( 4.640 -0.320 3.354) 5.734 11.803 ( -1.008 2.913 0.648) 3.150 11.873 ( -3.121 -7.862 1.898) 8.669 11.997 ( 1.677 0.174 -0.311) 1.714 12.141 ( -5.125 5.039 -6.142) 9.454 12.635 ( 2.156 12.337 -1.511) 12.615 12.782 ( 0.864 7.505 4.651) 8.872 12.933 ( -0.571 4.089 -0.177) 4.133 12.958 ( 5.312 7.414 -0.538) 9.136 14.343 ( -0.568 -0.268 0.635) 0.893 14.365 ( -1.211 1.217 0.725) 1.863 14.456 ( -1.003 1.666 -2.230) 2.958 14.580 ( -6.700 3.975 -0.961) 7.849 15.069 ( -0.787 -1.047 4.099) 4.303 15.408 ( -5.066 -3.174 -5.725) 8.277 15.483 ( 2.032 -0.891 -0.336) 2.244 15.658 ( -2.566 1.432 0.964) 3.093 15.781 ( -16.004 13.751 0.574) 21.108 15.915 ( -2.042 4.298 -0.858) 4.835 16.002 ( -0.326 2.583 0.601) 2.672 16.015 ( 0.992 2.169 0.183) 2.392 16.138 ( 0.732 4.691 -0.385) 4.764 16.203 ( 2.434 9.902 0.408) 10.205 16.324 ( -3.688 14.360 -9.045) 17.367 16.669 ( -3.425 -4.121 0.605) 5.392 16.897 ( 0.742 -4.397 -0.065) 4.459 16.989 ( 0.278 -0.544 -0.920) 1.104 17.038 ( 1.931 -4.321 1.609) 4.999 17.233 ( 3.267 1.674 -3.270) 4.916 17.964 ( 1.221 -5.319 0.848) 5.523 18.208 ( -1.020 -1.197 1.162) 1.955 18.397 ( 0.637 -7.333 -3.837) 8.301 18.487 ( -3.088 -4.981 -0.563) 5.888 21.516 ( -0.523 7.634 0.632) 7.678 21.600 ( -1.380 7.144 2.953) 7.852 21.996 ( -2.580 -0.371 1.532) 3.023 22.045 ( -1.811 1.485 -1.339) 2.698 27.610 ( -1.283 -0.420 7.909) 8.024 27.630 ( -1.368 0.252 3.261) 3.545 28.208 ( -8.072 4.681 -3.787) 10.070 28.370 ( -23.878 15.552 -5.211) 28.969 29.192 ( 0.589 -0.500 0.563) 0.956 29.237 ( 0.380 -2.238 0.380) 2.301 29.388 ( -1.421 3.511 0.621) 3.838 29.477 ( -8.636 6.267 -1.292) 10.748 30.218 ( -0.827 1.103 2.571) 2.917 30.288 ( -2.818 -0.521 6.020) 6.667 30.696 ( -4.338 2.201 1.002) 4.966 30.782 ( -2.614 0.721 -1.153) 2.946 31.311 ( 2.420 1.816 -0.314) 3.042 31.468 ( 1.999 0.092 -0.047) 2.002 31.767 ( 4.157 -1.207 0.293) 4.339 31.889 ( 1.146 -1.506 -0.632) 1.995 31.937 ( 3.652 2.317 0.717) 4.384 31.980 ( 3.840 2.896 -1.168) 4.950 32.191 ( 12.398 -2.886 4.346) 13.451 32.412 ( 0.878 -4.096 -10.918) 11.695 32.720 ( 10.200 -1.590 -1.773) 10.474 32.843 ( 4.653 2.149 -3.122) 6.001 33.191 ( 25.492 -23.101 10.544) 35.982 33.402 ( 4.972 -13.289 -1.332) 14.251 34.238 ( -3.471 6.609 1.333) 7.583 34.509 ( -4.204 1.093 1.017) 4.462 34.595 ( -3.804 4.491 0.708) 5.928 35.020 ( -1.681 -1.635 -10.248) 10.513 ======================= Grid point 13 (9/88) ======================= q-point: ( 0.20 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.460 ( 22.009 9.406 8.648) 25.449 1.630 ( 26.357 14.005 9.427) 31.300 2.056 ( 10.074 3.944 -6.422) 12.581 2.150 ( 9.137 0.788 -12.890) 15.820 2.423 ( 23.231 12.693 2.146) 26.559 2.692 ( 5.711 -2.795 -1.310) 6.492 2.794 ( 0.606 2.166 1.229) 2.563 2.853 ( 7.736 3.210 5.273) 9.897 3.014 ( -3.516 4.645 1.703) 6.070 3.109 ( 16.628 7.112 7.560) 19.601 3.248 ( 15.434 3.264 4.962) 16.538 3.303 ( 4.480 3.005 1.227) 5.533 3.348 ( 0.097 3.578 -1.606) 3.923 3.481 ( 0.865 3.334 0.719) 3.519 3.505 ( -1.281 -13.953 -2.775) 14.284 3.643 ( 1.330 -3.824 4.887) 6.346 3.731 ( 9.730 -1.725 -1.129) 9.946 3.786 ( 5.557 5.794 -3.318) 8.686 3.947 ( -1.393 -4.807 2.645) 5.661 3.961 ( 7.454 -2.121 -3.522) 8.513 4.136 ( 4.142 10.331 2.801) 11.477 4.217 ( 3.181 -0.690 0.682) 3.326 4.294 ( -2.342 1.690 -0.969) 3.046 4.433 ( 5.510 4.701 -4.325) 8.436 4.534 ( 1.160 6.643 -4.570) 8.146 4.638 ( 3.932 4.442 -5.708) 8.233 4.786 ( -3.470 -7.446 2.829) 8.689 4.908 ( 5.707 -7.086 0.700) 9.125 5.011 ( 4.622 -4.987 -6.123) 9.150 5.142 ( 8.115 -3.824 -2.022) 9.195 5.298 ( 1.156 3.902 6.606) 7.759 5.394 ( 3.026 4.960 -5.135) 7.755 5.487 ( -0.320 -7.076 -4.496) 8.389 5.537 ( -2.492 -1.164 7.924) 8.388 5.680 ( 2.045 -1.542 0.053) 2.562 5.756 ( 2.307 -2.596 3.965) 5.272 5.809 ( -5.803 -1.902 -6.056) 8.601 6.093 ( 0.171 6.403 0.530) 6.427 6.153 ( 0.777 5.309 0.741) 5.416 6.303 ( 1.087 0.734 3.007) 3.280 6.513 ( 2.631 5.065 2.121) 6.089 6.591 ( 3.355 3.562 -0.992) 4.992 6.911 ( 2.337 -12.719 1.701) 13.043 7.178 ( -0.020 1.618 -2.698) 3.146 7.391 ( -8.641 -9.957 3.613) 13.670 7.548 ( -10.200 -2.685 -0.874) 10.584 7.995 ( -4.619 -12.802 1.900) 13.742 8.075 ( -12.244 -4.447 -1.186) 13.080 8.458 ( -7.453 0.038 5.267) 9.127 8.704 ( -10.497 -0.545 -5.697) 11.955 8.861 ( -8.171 -3.568 -9.405) 12.960 9.024 ( -5.569 -4.890 6.807) 10.063 9.269 ( -0.305 -4.107 0.218) 4.125 9.385 ( 0.858 3.866 3.674) 5.402 9.407 ( 1.320 0.450 -4.573) 4.781 9.601 ( -4.141 10.343 0.077) 11.141 9.775 ( -2.230 -3.701 0.413) 4.340 9.918 ( 0.477 -2.768 -0.721) 2.900 10.035 ( 1.400 -10.425 -1.010) 10.567 10.119 ( -1.578 1.121 1.163) 2.258 10.474 ( 3.358 -12.475 2.488) 13.157 10.576 ( -2.617 -4.498 4.494) 6.876 10.650 ( -2.629 8.344 -1.113) 8.819 11.080 ( 0.153 -8.735 -6.455) 10.863 11.097 ( 0.113 -9.584 -1.243) 9.665 11.208 ( 0.480 -6.352 -5.955) 8.720 11.270 ( 2.004 2.579 10.349) 10.852 11.492 ( 1.458 -3.201 2.885) 4.549 11.780 ( -2.045 -1.297 1.884) 3.069 11.813 ( -4.548 -5.832 0.194) 7.398 11.979 ( -0.739 6.045 -0.405) 6.103 12.110 ( 2.638 4.307 -1.785) 5.357 12.681 ( 3.882 11.686 -1.882) 12.457 12.825 ( 0.629 7.089 2.659) 7.597 12.927 ( 0.524 6.081 0.149) 6.105 13.032 ( 3.658 10.033 -2.390) 10.943 14.316 ( -1.801 0.386 -1.301) 2.255 14.353 ( -1.233 1.447 2.653) 3.263 14.413 ( -1.022 0.415 -2.853) 3.059 14.499 ( -1.675 3.747 0.369) 4.121 15.093 ( -0.051 -0.614 4.516) 4.558 15.253 ( -5.208 0.978 -3.276) 6.230 15.511 ( -1.464 2.388 0.588) 2.861 15.556 ( -2.967 0.100 1.069) 3.156 15.697 ( 0.622 0.563 -1.098) 1.382 15.890 ( -0.184 2.551 -1.857) 3.161 15.954 ( -3.569 2.385 1.199) 4.457 16.081 ( 3.768 2.442 -1.113) 4.626 16.143 ( 0.613 3.904 0.138) 3.954 16.260 ( 3.183 9.766 0.207) 10.274 16.321 ( 4.076 7.570 -2.657) 8.999 16.577 ( -4.603 0.124 -2.244) 5.122 16.906 ( -0.387 -1.103 -0.199) 1.185 17.004 ( 2.236 -3.181 1.619) 4.212 17.115 ( 2.453 -4.839 4.533) 7.069 17.250 ( 0.960 0.644 -1.845) 2.177 18.009 ( 2.138 -6.381 1.473) 6.889 18.198 ( -1.418 -2.215 1.242) 2.909 18.348 ( -2.259 -6.926 -4.402) 8.511 18.415 ( -3.688 -4.576 0.608) 5.909 21.521 ( 0.661 5.234 0.349) 5.287 21.606 ( -0.083 7.992 1.912) 8.218 21.944 ( -4.090 -1.174 1.716) 4.588 21.992 ( -2.302 0.903 -2.093) 3.240 27.630 ( -2.068 0.316 5.239) 5.641 27.639 ( -1.966 -0.786 7.515) 7.808 27.950 ( -12.578 8.836 -4.654) 16.060 28.035 ( -12.078 3.981 -4.789) 13.589 29.213 ( 0.926 -0.669 0.932) 1.475 29.248 ( 0.507 -1.552 0.196) 1.645 29.361 ( -1.834 2.382 0.579) 3.061 29.385 ( -2.388 2.022 -0.943) 3.268 30.235 ( 0.293 0.571 3.210) 3.274 30.273 ( -1.390 0.269 0.914) 1.685 30.621 ( -4.650 1.125 2.151) 5.246 30.692 ( -5.243 0.367 -2.755) 5.934 31.375 ( 4.655 1.902 -0.400) 5.044 31.526 ( 3.934 0.393 0.366) 3.971 31.855 ( 3.291 -1.740 2.011) 4.231 31.922 ( 2.340 -2.009 -0.029) 3.084 32.038 ( 6.333 2.635 -0.735) 6.898 32.062 ( 5.698 2.682 -1.178) 6.407 32.339 ( -0.051 -1.860 -7.682) 7.905 32.519 ( 14.653 -5.957 8.596) 18.003 32.865 ( 5.333 1.708 -2.303) 6.055 32.938 ( 7.908 3.238 -0.848) 8.587 33.437 ( 5.760 -8.136 0.477) 9.980 33.598 ( 11.226 -7.651 -0.438) 13.592 34.146 ( -6.287 3.898 -1.281) 7.508 34.444 ( -3.937 0.983 3.331) 5.250 34.544 ( -2.588 -1.479 2.017) 3.599 34.919 ( -1.284 -3.349 -8.496) 9.223 ======================= Grid point 14 (10/88) ======================= q-point: ( 0.30 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.875 ( 17.378 1.214 -0.468) 17.426 2.144 ( 20.679 6.637 3.537) 22.004 2.170 ( 14.337 4.048 -5.408) 15.849 2.378 ( 16.586 2.063 -1.793) 16.810 2.635 ( -0.458 3.549 -1.066) 3.734 2.753 ( 6.506 0.897 -1.569) 6.752 2.836 ( 2.423 2.343 2.566) 4.236 2.920 ( -0.643 2.475 -1.437) 2.933 3.052 ( 2.062 7.133 3.340) 8.141 3.168 ( -7.543 12.572 0.983) 14.694 3.357 ( -1.559 -4.795 -2.764) 5.750 3.404 ( 2.493 -5.782 -1.988) 6.603 3.512 ( 9.316 8.975 0.167) 12.937 3.544 ( -5.951 -3.711 0.481) 7.029 3.576 ( 8.014 6.655 -2.023) 10.611 3.712 ( 6.403 -2.010 6.693) 9.478 3.793 ( 5.023 -4.568 7.360) 10.014 3.953 ( 1.381 1.074 -0.984) 2.007 4.017 ( 10.469 0.011 0.842) 10.503 4.118 ( 9.257 -2.638 -3.891) 10.383 4.208 ( 2.387 5.237 0.503) 5.777 4.228 ( 3.150 4.820 -1.261) 5.895 4.335 ( 4.813 1.662 -3.380) 6.111 4.445 ( -1.053 1.208 -1.138) 1.966 4.515 ( 1.002 6.541 -3.788) 7.625 4.717 ( 8.146 9.704 -3.422) 13.124 4.792 ( 2.877 -7.542 -0.490) 8.087 5.002 ( 1.396 -0.756 2.607) 3.052 5.080 ( 4.551 -2.847 -9.014) 10.492 5.198 ( 3.229 -0.174 -6.986) 7.698 5.341 ( 3.225 2.192 2.024) 4.393 5.425 ( 6.159 -0.900 -0.895) 6.289 5.497 ( 2.298 -4.448 2.399) 5.552 5.613 ( -0.356 -3.929 5.751) 6.974 5.690 ( 0.650 -1.570 9.845) 9.991 5.764 ( 3.122 -0.737 2.533) 4.088 5.821 ( 0.464 -1.335 2.665) 3.016 6.084 ( 0.309 6.430 -2.859) 7.044 6.197 ( 3.213 -1.262 0.775) 3.538 6.339 ( -1.135 2.522 4.097) 4.944 6.597 ( 3.602 0.448 1.445) 3.906 6.657 ( 3.486 1.829 0.336) 3.951 6.944 ( 0.868 -7.277 -1.035) 7.401 7.138 ( -1.920 1.477 -2.596) 3.550 7.253 ( -7.665 -9.809 2.048) 12.616 7.356 ( -9.267 -0.216 -0.945) 9.318 7.831 ( -10.515 -2.904 -1.112) 10.965 7.923 ( -5.356 -13.662 2.180) 14.836 8.384 ( -5.001 -3.300 0.167) 5.994 8.458 ( -9.052 0.174 -5.318) 10.500 8.616 ( -9.395 -1.032 -7.320) 11.955 8.943 ( -6.182 -5.841 3.999) 9.398 9.247 ( -0.920 -2.610 -2.143) 3.500 9.378 ( -0.663 2.496 -3.220) 4.128 9.439 ( -0.896 4.443 4.218) 6.192 9.544 ( -1.489 9.545 1.490) 9.774 9.730 ( -3.115 -5.455 2.006) 6.594 9.856 ( -2.104 -0.583 -4.240) 4.769 10.085 ( -1.737 5.063 0.067) 5.353 10.135 ( 7.419 -10.136 -2.593) 12.826 10.518 ( -0.396 -9.049 6.462) 11.127 10.590 ( -0.380 1.555 1.819) 2.423 10.663 ( 3.243 -1.555 2.843) 4.585 11.012 ( -2.001 -8.633 -5.250) 10.301 11.051 ( -3.126 -6.132 -3.661) 7.796 11.164 ( -1.087 -8.479 -5.046) 9.927 11.332 ( -3.708 -2.135 6.663) 7.919 11.519 ( 0.674 -1.838 3.443) 3.961 11.716 ( -3.779 -0.468 -1.612) 4.135 11.781 ( -0.560 -8.916 3.572) 9.622 11.991 ( 1.459 4.140 0.153) 4.392 12.144 ( 1.285 4.676 -0.071) 4.850 12.743 ( 4.022 10.470 -1.753) 11.352 12.845 ( 0.272 8.230 0.747) 8.268 12.954 ( 1.575 8.209 0.915) 8.408 13.071 ( 2.761 11.011 -2.851) 11.705 14.284 ( -0.535 -1.313 -0.873) 1.665 14.352 ( -0.826 1.165 1.558) 2.114 14.370 ( -0.842 0.270 -3.274) 3.392 14.499 ( 0.101 1.880 1.929) 2.696 15.137 ( 1.359 0.038 3.480) 3.737 15.186 ( -0.469 -1.161 -0.900) 1.542 15.453 ( -3.434 4.116 1.005) 5.453 15.532 ( -2.838 -3.788 0.481) 4.758 15.713 ( 1.487 2.152 -0.645) 2.694 15.868 ( -0.571 -0.090 -2.411) 2.479 15.903 ( -2.349 3.648 1.413) 4.564 16.108 ( 0.768 2.275 -1.988) 3.117 16.189 ( 3.291 2.365 0.581) 4.095 16.317 ( 2.376 6.838 0.884) 7.293 16.390 ( 4.201 6.825 -1.023) 8.080 16.495 ( -1.691 2.811 -3.074) 4.495 16.898 ( 0.068 1.057 -0.278) 1.095 17.049 ( 0.790 -3.890 1.044) 4.105 17.192 ( 1.465 -4.051 4.732) 6.398 17.254 ( 0.515 -1.520 0.269) 1.627 18.047 ( 0.773 -6.925 -0.205) 6.971 18.169 ( -2.429 -1.947 1.524) 3.466 18.263 ( -2.547 -6.953 -4.447) 8.638 18.372 ( -2.091 -3.980 2.217) 5.013 21.547 ( 1.906 3.678 0.093) 4.144 21.625 ( 1.015 6.947 0.820) 7.069 21.875 ( -4.154 -1.503 0.893) 4.507 21.930 ( -2.754 0.984 -1.525) 3.299 27.630 ( -2.376 0.236 3.921) 4.591 27.636 ( -2.996 0.233 1.108) 3.203 27.733 ( -7.209 4.459 1.237) 8.566 27.786 ( -9.536 2.298 -5.292) 11.145 29.238 ( 0.910 -0.847 0.889) 1.529 29.258 ( 0.534 -0.786 -0.224) 0.976 29.333 ( -1.291 1.359 0.213) 1.886 29.346 ( -1.423 0.996 -0.457) 1.796 30.252 ( -0.384 0.545 -1.171) 1.348 30.280 ( 1.942 0.030 2.357) 3.054 30.545 ( -5.417 -0.322 -1.327) 5.586 30.565 ( -5.232 0.213 0.572) 5.268 31.475 ( 6.022 1.742 -0.067) 6.270 31.614 ( 4.779 0.553 0.569) 4.844 31.887 ( -1.440 -1.681 1.470) 2.658 31.956 ( 0.200 -1.469 0.625) 1.609 32.145 ( 5.759 0.803 0.018) 5.815 32.185 ( 7.934 1.572 -2.708) 8.530 32.315 ( 2.525 0.992 -2.930) 3.993 32.783 ( 3.835 -6.279 5.159) 8.986 32.915 ( 5.795 4.009 -3.343) 7.799 33.092 ( 6.722 4.686 1.921) 8.417 33.556 ( 6.403 -3.967 0.794) 7.574 33.773 ( 8.222 2.553 0.643) 8.633 34.009 ( -5.316 2.360 -4.225) 7.189 34.386 ( -4.675 0.893 1.167) 4.901 34.537 ( -0.700 -9.313 4.128) 10.211 34.850 ( -0.525 -4.174 -4.849) 6.419 ======================= Grid point 15 (11/88) ======================= q-point: ( 0.40 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.153 ( 13.772 -0.148 -1.139) 13.820 2.413 ( 10.374 -0.880 -1.301) 10.492 2.443 ( 9.909 7.523 -0.192) 12.443 2.556 ( -2.367 5.786 -2.564) 6.757 2.685 ( 13.504 -0.141 -3.339) 13.912 2.854 ( 2.247 0.272 -0.002) 2.264 2.909 ( 0.974 -1.592 -0.803) 2.031 2.954 ( 7.351 4.395 2.133) 8.827 3.046 ( -4.437 8.050 0.086) 9.192 3.075 ( 0.101 6.561 5.672) 8.673 3.243 ( -7.188 -0.608 1.530) 7.374 3.373 ( -8.079 1.898 -0.230) 8.302 3.437 ( 1.961 -2.673 -5.537) 6.454 3.622 ( 3.911 7.128 -1.611) 8.288 3.703 ( 5.187 2.907 0.006) 5.946 3.802 ( 4.278 -5.915 -1.147) 7.390 3.856 ( -5.006 3.575 -2.510) 6.644 3.942 ( -3.614 8.907 3.207) 10.133 4.113 ( 1.093 -5.225 0.186) 5.342 4.133 ( 0.597 -0.753 -4.776) 4.872 4.169 ( -1.118 0.604 2.105) 2.459 4.345 ( -0.186 3.559 -1.028) 3.709 4.462 ( 1.308 8.240 4.755) 9.603 4.483 ( 6.616 -1.594 -1.690) 7.012 4.547 ( 5.965 -0.934 1.396) 6.197 4.747 ( 0.751 -1.370 -6.975) 7.148 4.917 ( -2.133 3.271 -2.716) 4.757 4.925 ( 1.690 2.946 2.651) 4.308 5.092 ( 4.975 6.917 -3.345) 9.153 5.328 ( 9.349 -1.855 -1.866) 9.712 5.470 ( 4.974 -1.009 6.339) 8.121 5.517 ( 4.121 -4.114 -2.037) 6.169 5.587 ( 4.836 -3.203 3.765) 6.915 5.685 ( 7.239 -0.963 -1.017) 7.373 5.817 ( 0.934 -3.888 3.527) 5.331 5.827 ( 1.714 -4.012 2.877) 5.226 5.879 ( 2.940 1.833 8.448) 9.131 6.071 ( 1.714 -0.311 -5.904) 6.156 6.255 ( -0.828 0.548 4.637) 4.743 6.331 ( -0.604 3.532 1.485) 3.878 6.629 ( -1.010 -2.295 0.650) 2.590 6.706 ( 0.971 0.458 0.224) 1.096 6.935 ( -0.320 -3.533 -1.884) 4.017 7.096 ( -0.729 1.432 -0.042) 1.608 7.142 ( -4.858 -7.107 0.351) 8.615 7.194 ( -6.802 -1.511 -0.679) 7.000 7.684 ( -4.382 -2.447 -0.493) 5.043 7.829 ( -5.005 -11.980 -1.261) 13.044 8.225 ( -6.514 -3.308 0.660) 7.336 8.322 ( -2.496 -0.012 -12.985) 13.222 8.475 ( -3.863 0.732 4.771) 6.182 8.877 ( -3.068 -6.051 1.863) 7.035 9.221 ( 0.157 0.324 -2.232) 2.261 9.319 ( -3.195 -0.127 -1.699) 3.621 9.422 ( -0.977 8.135 -0.143) 8.194 9.553 ( -0.810 4.705 2.543) 5.409 9.702 ( -1.842 -5.739 3.244) 6.845 9.814 ( 0.398 0.981 -2.562) 2.771 10.059 ( -0.654 8.027 -0.467) 8.068 10.243 ( 5.535 -10.668 -2.254) 12.228 10.558 ( -0.147 -6.132 2.932) 6.798 10.623 ( 2.783 0.296 2.960) 4.074 10.754 ( 2.508 -4.126 4.276) 6.449 10.926 ( -5.482 -3.185 -3.257) 7.128 10.950 ( -2.103 -7.762 -1.555) 8.191 11.077 ( -3.549 -5.424 -6.085) 8.891 11.284 ( -2.842 -12.508 1.456) 12.910 11.569 ( 0.795 1.113 3.870) 4.104 11.654 ( -1.765 -1.277 -1.103) 2.442 11.806 ( 0.307 -10.736 2.474) 11.022 12.020 ( 1.157 2.008 0.245) 2.330 12.154 ( -0.006 6.195 0.092) 6.196 12.797 ( 2.648 9.576 -1.210) 10.009 12.851 ( -0.036 9.531 0.188) 9.533 12.988 ( 1.121 9.338 0.672) 9.429 13.094 ( 1.591 10.696 -1.778) 10.959 14.277 ( 0.047 -1.945 -0.354) 1.977 14.326 ( -0.599 -0.879 -2.348) 2.578 14.359 ( -0.226 1.877 0.913) 2.100 14.518 ( 0.368 1.182 1.475) 1.926 15.190 ( 2.145 -0.592 1.613) 2.748 15.211 ( 2.834 -1.237 0.225) 3.100 15.393 ( -4.402 2.238 0.852) 5.011 15.466 ( -3.211 -2.255 0.428) 3.947 15.728 ( 0.676 4.250 -1.300) 4.495 15.840 ( -1.189 2.016 0.325) 2.363 15.887 ( -0.158 -0.003 -0.383) 0.414 16.104 ( 0.184 2.122 -0.854) 2.294 16.247 ( 2.381 2.470 -0.075) 3.432 16.359 ( 1.018 2.725 1.278) 3.177 16.443 ( 1.431 5.183 -1.246) 5.519 16.472 ( 1.546 6.906 -1.507) 7.236 16.904 ( 0.504 2.083 0.083) 2.145 17.053 ( -0.335 -2.884 -0.136) 2.906 17.218 ( -0.544 -4.691 1.082) 4.845 17.288 ( 1.269 -2.800 2.674) 4.074 18.026 ( -1.334 -5.387 -2.163) 5.956 18.153 ( -1.293 -3.385 3.451) 5.004 18.197 ( -0.941 -5.896 -3.897) 7.130 18.360 ( -0.976 -4.100 1.644) 4.523 21.587 ( 1.949 2.668 0.191) 3.310 21.657 ( 1.969 4.662 -0.198) 5.065 21.810 ( -3.319 -0.455 0.980) 3.491 21.869 ( -2.441 1.261 -1.132) 2.972 27.525 ( -4.012 2.011 -3.066) 5.435 27.580 ( -4.332 0.147 -3.553) 5.605 27.659 ( -2.087 2.034 2.905) 4.115 27.701 ( -1.378 0.990 3.777) 4.141 29.257 ( 0.564 -0.781 0.199) 0.983 29.265 ( 0.371 -0.590 -0.159) 0.715 29.318 ( -0.517 0.715 0.035) 0.883 29.322 ( -0.881 0.840 0.139) 1.225 30.242 ( 0.532 0.464 -1.348) 1.522 30.338 ( 2.402 -0.988 0.739) 2.701 30.422 ( -4.368 0.362 -2.028) 4.830 30.500 ( -3.823 -0.776 2.029) 4.397 31.596 ( 6.511 1.131 0.300) 6.616 31.705 ( 3.954 0.675 0.656) 4.065 31.833 ( -4.651 -0.686 0.193) 4.705 31.936 ( -1.919 -0.494 -0.251) 1.997 32.239 ( 3.428 -2.173 -0.013) 4.058 32.289 ( 4.846 -1.166 -1.950) 5.352 32.403 ( 6.447 4.959 2.711) 8.574 32.737 ( -5.013 0.957 -4.740) 6.965 33.036 ( 4.183 -0.275 2.284) 4.774 33.200 ( 3.380 6.862 1.214) 7.745 33.683 ( 5.373 -2.318 2.920) 6.540 33.893 ( -3.631 2.041 -3.259) 5.289 33.928 ( 7.211 5.349 0.436) 8.989 34.288 ( -4.992 -0.337 -1.691) 5.281 34.560 ( -0.058 -13.445 2.743) 13.722 34.823 ( 0.044 -3.999 -1.418) 4.243 ======================= Grid point 16 (12/88) ======================= q-point: (-0.50 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 66 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.316 ( 0.000 1.487 0.000) 1.487 2.445 ( 0.000 -0.642 0.000) 0.642 2.520 ( 0.000 5.701 0.000) 5.701 2.593 ( -0.000 5.811 0.000) 5.811 2.799 ( -0.000 -1.156 0.000) 1.156 2.817 ( 0.000 2.138 -0.000) 2.138 2.928 ( 0.000 -3.686 -0.000) 3.686 2.978 ( 0.000 1.803 0.000) 1.803 3.122 ( -0.000 3.002 0.000) 3.002 3.138 ( 0.000 3.523 -0.000) 3.523 3.170 ( 0.000 0.591 0.000) 0.591 3.280 ( 0.000 10.016 0.000) 10.016 3.399 ( 0.000 -0.030 0.000) 0.030 3.688 ( -0.000 11.431 0.000) 11.431 3.699 ( 0.000 2.153 -0.000) 2.153 3.803 ( 0.000 0.077 0.000) 0.077 3.862 ( -0.000 -2.247 0.000) 2.247 3.876 ( 0.000 5.559 -0.000) 5.559 4.083 ( 0.000 -9.873 0.000) 9.873 4.092 ( 0.000 0.015 0.000) 0.015 4.266 ( 0.000 8.113 -0.000) 8.113 4.282 ( -0.000 1.271 0.000) 1.271 4.482 ( 0.000 0.277 0.000) 0.277 4.570 ( 0.000 -1.306 0.000) 1.306 4.603 ( 0.000 8.999 0.000) 8.999 4.718 ( 0.000 -6.845 0.000) 6.845 4.833 ( 0.000 1.413 -0.000) 1.413 4.992 ( 0.000 7.775 0.000) 7.775 5.135 ( 0.000 7.788 0.000) 7.788 5.424 ( 0.000 -1.682 0.000) 1.682 5.529 ( 0.000 -1.201 0.000) 1.201 5.555 ( 0.000 -10.565 0.000) 10.565 5.707 ( 0.000 -1.398 0.000) 1.398 5.786 ( 0.000 -3.001 0.000) 3.001 5.793 ( 0.000 1.808 0.000) 1.808 5.873 ( 0.000 -4.889 0.000) 4.889 5.952 ( 0.000 2.682 0.000) 2.682 6.056 ( -0.000 -8.615 0.000) 8.615 6.244 ( 0.000 7.873 0.000) 7.873 6.345 ( 0.000 1.748 -0.000) 1.748 6.609 ( 0.000 -3.238 0.000) 3.238 6.712 ( 0.000 1.060 -0.000) 1.060 6.920 ( 0.000 -2.863 0.000) 2.863 7.082 ( 0.000 -1.697 0.000) 1.697 7.105 ( 0.000 -8.813 -0.000) 8.813 7.123 ( -0.000 3.012 0.000) 3.012 7.645 ( 0.000 -2.594 0.000) 2.594 7.762 ( 0.000 -9.666 0.000) 9.666 8.203 ( -0.000 -4.443 0.000) 4.443 8.205 ( 0.000 1.278 -0.000) 1.278 8.468 ( 0.000 0.371 0.000) 0.371 8.856 ( 0.000 -6.118 0.000) 6.118 9.218 ( 0.000 4.293 -0.000) 4.293 9.271 ( 0.000 -4.185 0.000) 4.185 9.413 ( 0.000 9.389 0.000) 9.389 9.550 ( 0.000 3.097 0.000) 3.097 9.699 ( 0.000 -6.162 -0.000) 6.162 9.813 ( -0.000 2.009 0.000) 2.009 10.052 ( 0.000 8.720 0.000) 8.720 10.292 ( 0.000 -10.880 0.000) 10.880 10.564 ( 0.000 -5.580 0.000) 5.580 10.698 ( 0.000 -3.671 0.000) 3.671 10.767 ( 0.000 -0.613 0.000) 0.613 10.854 ( 0.000 -2.016 0.000) 2.016 10.963 ( 0.000 -6.561 -0.000) 6.561 10.970 ( 0.000 -4.998 0.000) 4.998 11.264 ( 0.000 -16.171 0.000) 16.171 11.594 ( 0.000 0.957 0.000) 0.957 11.631 ( 0.000 -1.323 0.000) 1.323 11.820 ( 0.000 -11.184 0.000) 11.184 12.033 ( 0.000 0.983 0.000) 0.983 12.153 ( 0.000 7.099 0.000) 7.099 12.818 ( 0.000 9.416 0.000) 9.416 12.850 ( 0.000 9.906 0.000) 9.906 13.002 ( 0.000 9.635 0.000) 9.635 13.102 ( 0.000 10.508 0.000) 10.508 14.276 ( 0.000 -1.849 0.000) 1.849 14.311 ( 0.000 -1.092 0.000) 1.092 14.361 ( 0.000 1.723 0.000) 1.723 14.528 ( 0.000 0.997 0.000) 0.997 15.224 ( 0.000 0.619 0.000) 0.619 15.266 ( -0.000 -3.020 0.000) 3.020 15.320 ( 0.000 1.391 0.000) 1.391 15.439 ( 0.000 -1.384 -0.000) 1.384 15.726 ( 0.000 4.158 0.000) 4.158 15.831 ( 0.000 5.451 0.000) 5.451 15.884 ( 0.000 -2.788 0.000) 2.788 16.103 ( 0.000 2.199 0.000) 2.199 16.270 ( 0.000 2.749 0.000) 2.749 16.373 ( 0.000 0.610 0.000) 0.610 16.445 ( 0.000 4.693 0.000) 4.693 16.490 ( 0.000 8.716 -0.000) 8.716 16.911 ( 0.000 2.432 0.000) 2.432 17.048 ( 0.000 -2.414 0.000) 2.414 17.214 ( 0.000 -5.843 0.000) 5.843 17.313 ( 0.000 -2.615 0.000) 2.615 18.000 ( 0.000 -4.289 0.000) 4.289 18.159 ( 0.000 -7.041 0.000) 7.041 18.171 ( 0.000 -2.621 -0.000) 2.621 18.357 ( 0.000 -4.226 0.000) 4.226 21.609 ( 0.000 2.898 0.000) 2.898 21.682 ( 0.000 1.395 0.000) 1.395 21.777 ( 0.000 2.238 0.000) 2.238 21.837 ( 0.000 0.907 0.000) 0.907 27.475 ( 0.000 1.678 0.000) 1.678 27.517 ( 0.000 0.567 0.000) 0.567 27.656 ( 0.000 1.605 0.000) 1.605 27.704 ( 0.000 0.768 0.000) 0.768 29.262 ( 0.000 -0.552 0.000) 0.552 29.268 ( 0.000 -0.835 0.000) 0.835 29.312 ( 0.000 0.829 0.000) 0.829 29.316 ( 0.000 0.592 0.000) 0.592 30.246 ( 0.000 0.284 0.000) 0.284 30.345 ( 0.000 -1.102 0.000) 1.102 30.397 ( 0.000 0.130 0.000) 0.130 30.461 ( 0.000 -0.744 0.000) 0.744 31.708 ( 0.000 0.050 0.000) 0.050 31.728 ( -0.000 -0.233 0.000) 0.233 31.763 ( 0.000 1.825 0.000) 1.825 31.908 ( 0.000 -0.476 0.000) 0.476 32.270 ( 0.000 -2.523 0.000) 2.523 32.329 ( 0.000 -1.926 0.000) 1.926 32.543 ( -0.000 6.818 -0.000) 6.818 32.603 ( 0.000 0.587 0.000) 0.587 33.083 ( 0.000 0.175 0.000) 0.175 33.237 ( 0.000 7.811 0.000) 7.811 33.781 ( 0.000 -4.462 0.000) 4.462 33.814 ( 0.000 2.263 0.000) 2.263 34.019 ( 0.000 9.815 0.000) 9.815 34.215 ( 0.000 -3.124 -0.000) 3.124 34.570 ( 0.000 -14.533 0.000) 14.533 34.820 ( 0.000 -3.854 0.000) 3.854 ======================= Grid point 22 (13/88) ======================= q-point: ( 0.00 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.278 ( 0.000 28.680 0.000) 28.680 1.487 ( 0.000 32.919 0.000) 32.919 1.985 ( 0.000 3.855 0.000) 3.855 2.260 ( 0.000 4.167 0.000) 4.167 2.286 ( 0.000 16.746 0.000) 16.746 2.301 ( 0.000 -0.078 0.000) 0.078 2.503 ( 0.000 0.028 0.000) 0.028 2.614 ( 0.000 -3.523 0.000) 3.523 2.839 ( 0.000 6.228 0.000) 6.228 2.984 ( 0.000 -1.430 0.000) 1.430 3.185 ( 0.000 -0.469 0.000) 0.469 3.186 ( 0.000 2.575 0.000) 2.575 3.308 ( 0.000 2.183 0.000) 2.183 3.382 ( 0.000 7.129 0.000) 7.129 3.427 ( 0.000 -2.414 0.000) 2.414 3.506 ( 0.000 -7.511 0.000) 7.511 3.601 ( 0.000 6.979 0.000) 6.979 3.773 ( 0.000 1.517 0.000) 1.517 3.796 ( 0.000 -3.355 0.000) 3.355 3.949 ( 0.000 -2.625 0.000) 2.625 4.038 ( 0.000 -3.648 0.000) 3.648 4.132 ( 0.000 0.093 0.000) 0.093 4.183 ( 0.000 -12.416 0.000) 12.416 4.473 ( 0.000 -18.260 0.000) 18.260 4.529 ( 0.000 7.844 0.000) 7.844 4.627 ( 0.000 0.317 0.000) 0.317 4.652 ( 0.000 2.078 0.000) 2.078 4.883 ( 0.000 6.794 0.000) 6.794 4.894 ( 0.000 3.837 0.000) 3.837 4.986 ( 0.000 -5.174 0.000) 5.174 5.112 ( 0.000 11.996 0.000) 11.996 5.451 ( 0.000 1.112 0.000) 1.112 5.482 ( 0.000 -0.182 0.000) 0.182 5.545 ( 0.000 4.223 0.000) 4.223 5.656 ( 0.000 9.541 0.000) 9.541 5.711 ( 0.000 6.120 0.000) 6.120 6.037 ( 0.000 -2.331 0.000) 2.331 6.048 ( 0.000 -11.069 0.000) 11.069 6.251 ( 0.000 1.221 0.000) 1.221 6.416 ( 0.000 9.173 0.000) 9.173 6.448 ( 0.000 -15.972 0.000) 15.972 6.463 ( 0.000 6.734 0.000) 6.734 6.868 ( 0.000 10.790 0.000) 10.790 7.161 ( 0.000 -5.652 0.000) 5.652 7.382 ( 0.000 0.247 0.000) 0.247 7.637 ( 0.000 -8.968 0.000) 8.968 7.821 ( 0.000 -10.957 0.000) 10.957 8.197 ( 0.000 -12.145 0.000) 12.145 8.893 ( 0.000 1.216 0.000) 1.216 8.897 ( 0.000 8.413 0.000) 8.413 9.105 ( 0.000 -4.988 0.000) 4.988 9.121 ( 0.000 -5.252 0.000) 5.252 9.172 ( 0.000 2.110 0.000) 2.110 9.242 ( 0.000 -3.369 0.000) 3.369 9.319 ( 0.000 4.844 0.000) 4.844 9.622 ( 0.000 -0.131 0.000) 0.131 9.673 ( 0.000 -11.052 0.000) 11.052 9.805 ( 0.000 -10.278 0.000) 10.278 9.864 ( 0.000 0.552 0.000) 0.552 10.068 ( 0.000 -7.060 0.000) 7.060 10.401 ( 0.000 7.203 0.000) 7.203 10.638 ( 0.000 -5.293 0.000) 5.293 10.756 ( 0.000 1.546 0.000) 1.546 10.813 ( 0.000 -6.718 0.000) 6.718 11.002 ( 0.000 -2.029 0.000) 2.029 11.083 ( 0.000 -2.972 0.000) 2.972 11.264 ( 0.000 2.491 0.000) 2.491 11.345 ( 0.000 -0.505 0.000) 0.505 11.781 ( 0.000 -4.462 0.000) 4.462 11.802 ( 0.000 -2.072 0.000) 2.072 12.007 ( 0.000 1.829 0.000) 1.829 12.099 ( 0.000 -5.319 0.000) 5.319 12.839 ( 0.000 9.661 0.000) 9.661 12.957 ( 0.000 6.542 0.000) 6.542 13.011 ( 0.000 4.622 0.000) 4.622 13.031 ( 0.000 3.576 0.000) 3.576 14.361 ( 0.000 2.202 0.000) 2.202 14.429 ( 0.000 4.691 0.000) 4.691 14.487 ( 0.000 -1.318 0.000) 1.318 14.595 ( 0.000 -2.922 0.000) 2.922 15.049 ( 0.000 -0.019 0.000) 0.019 15.264 ( 0.000 -10.910 0.000) 10.910 15.539 ( 0.000 4.202 0.000) 4.202 15.648 ( 0.000 -1.273 0.000) 1.273 15.987 ( 0.000 1.436 0.000) 1.436 15.999 ( 0.000 0.908 0.000) 0.908 16.035 ( 0.000 5.397 0.000) 5.397 16.185 ( 0.000 2.290 0.000) 2.290 16.327 ( 0.000 9.022 0.000) 9.022 16.360 ( 0.000 9.295 0.000) 9.295 16.593 ( 0.000 -2.150 0.000) 2.150 16.706 ( 0.000 -4.853 0.000) 4.853 16.798 ( 0.000 1.128 0.000) 1.128 16.821 ( 0.000 -2.998 0.000) 2.998 17.086 ( 0.000 -1.630 0.000) 1.630 17.172 ( 0.000 -2.187 0.000) 2.187 17.917 ( 0.000 1.328 0.000) 1.328 18.218 ( 0.000 -9.705 0.000) 9.705 18.226 ( 0.000 1.029 0.000) 1.029 18.401 ( 0.000 -6.331 0.000) 6.331 21.691 ( 0.000 4.370 0.000) 4.370 21.721 ( 0.000 6.780 0.000) 6.780 22.030 ( 0.000 1.983 0.000) 1.983 22.107 ( 0.000 0.833 0.000) 0.833 27.610 ( 0.000 1.218 0.000) 1.218 27.634 ( 0.000 0.025 0.000) 0.025 28.412 ( 0.000 6.778 0.000) 6.778 28.694 ( 0.000 -6.137 0.000) 6.137 29.175 ( 0.000 -0.405 0.000) 0.405 29.190 ( 0.000 -1.476 0.000) 1.476 29.497 ( 0.000 5.104 0.000) 5.104 29.700 ( 0.000 -4.557 0.000) 4.557 30.246 ( 0.000 0.261 0.000) 0.261 30.264 ( 0.000 -0.462 0.000) 0.462 30.786 ( 0.000 2.485 0.000) 2.485 30.831 ( 0.000 0.556 0.000) 0.556 31.337 ( 0.000 2.792 0.000) 2.792 31.437 ( 0.000 -1.380 0.000) 1.380 31.710 ( 0.000 0.393 0.000) 0.393 31.812 ( 0.000 -3.943 0.000) 3.943 31.944 ( 0.000 2.110 0.000) 2.110 32.022 ( 0.000 -1.594 0.000) 1.594 32.099 ( 0.000 1.052 0.000) 1.052 32.159 ( 0.000 -1.608 0.000) 1.608 32.560 ( 0.000 1.562 0.000) 1.562 32.658 ( 0.000 -3.012 0.000) 3.012 32.853 ( 0.000 2.985 0.000) 2.985 33.112 ( 0.000 -10.905 0.000) 10.905 34.433 ( 0.000 6.300 0.000) 6.300 34.546 ( 0.000 -0.469 0.000) 0.469 34.755 ( 0.000 6.398 0.000) 6.398 35.012 ( 0.000 -5.479 0.000) 5.479 ======================= Grid point 23 (14/88) ======================= q-point: ( 0.10 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.448 ( 11.429 22.122 7.610) 26.037 1.580 ( 7.305 26.229 7.114) 28.142 2.024 ( 6.753 0.850 -5.277) 8.613 2.207 ( 0.835 1.464 -7.702) 7.884 2.396 ( 12.783 6.597 -0.905) 14.413 2.436 ( 7.238 6.553 4.434) 10.723 2.622 ( 10.825 1.157 3.154) 11.334 2.744 ( 9.242 0.015 1.872) 9.429 2.952 ( 8.325 2.933 6.561) 10.998 3.039 ( 4.728 -4.874 -1.029) 6.868 3.165 ( -0.086 12.118 5.811) 13.440 3.198 ( 1.397 -2.179 -4.365) 5.075 3.310 ( 1.916 9.065 -2.013) 9.482 3.412 ( 3.175 -5.469 1.741) 6.559 3.467 ( 5.103 -5.333 1.640) 7.561 3.588 ( 3.052 2.970 -0.182) 4.263 3.649 ( 5.313 9.785 0.713) 11.158 3.788 ( 2.802 -1.996 -5.274) 6.297 3.800 ( 3.163 -1.081 -0.213) 3.349 3.934 ( -1.709 -0.660 0.962) 2.069 4.075 ( 5.397 -4.440 -0.086) 6.989 4.192 ( 4.834 -5.813 5.942) 9.615 4.262 ( 5.214 -3.652 1.064) 6.454 4.417 ( -5.002 3.550 -6.121) 8.665 4.520 ( 4.699 -11.755 -4.532) 13.446 4.618 ( 2.581 -6.252 -2.500) 7.211 4.712 ( 1.013 4.541 0.512) 4.681 4.879 ( -1.358 9.434 4.862) 10.699 4.910 ( 3.167 0.298 -2.259) 3.901 5.057 ( 3.723 7.492 1.602) 8.518 5.194 ( 6.173 0.566 2.699) 6.761 5.433 ( -0.075 0.401 -7.025) 7.037 5.447 ( 1.391 -0.785 -5.635) 5.857 5.575 ( -1.760 3.981 7.263) 8.467 5.671 ( 2.062 5.299 -1.058) 5.783 5.718 ( -0.070 5.765 2.066) 6.125 5.922 ( -8.534 -5.375 -0.833) 10.120 6.050 ( -0.213 -6.077 -1.919) 6.376 6.262 ( 1.936 1.428 -2.907) 3.773 6.382 ( -1.772 3.883 1.615) 4.564 6.502 ( 3.725 -10.636 2.730) 11.595 6.549 ( 4.891 2.118 2.650) 5.953 6.791 ( -6.613 12.167 0.054) 13.848 7.143 ( 0.090 -6.109 -4.373) 7.513 7.366 ( -4.265 0.020 5.511) 6.969 7.579 ( -5.114 -7.937 -1.082) 9.504 7.797 ( -2.751 -10.870 0.484) 11.223 8.125 ( -6.881 -11.746 -1.232) 13.669 8.717 ( -9.783 8.036 0.407) 12.667 8.930 ( -9.430 -2.420 -0.065) 9.736 8.974 ( -7.690 0.641 -3.571) 8.503 9.046 ( -4.363 -1.277 3.059) 5.480 9.162 ( 2.442 -3.577 -0.502) 4.360 9.318 ( 4.040 -2.048 -2.749) 5.298 9.384 ( 3.253 -1.390 1.334) 3.781 9.659 ( 2.423 -0.405 5.194) 5.746 9.685 ( -2.250 -2.243 4.893) 5.834 9.822 ( 2.169 -7.023 -1.166) 7.442 9.902 ( 3.507 -5.524 -2.651) 7.059 10.013 ( -2.906 -8.116 -0.794) 8.657 10.396 ( 0.201 5.295 -2.697) 5.946 10.571 ( -4.805 -4.097 -0.399) 6.327 10.772 ( 0.362 2.785 0.457) 2.845 10.847 ( 0.594 -6.414 4.475) 7.843 11.016 ( 3.207 -2.473 -7.319) 8.365 11.100 ( 1.892 -4.203 -1.481) 4.842 11.260 ( -0.454 3.083 2.601) 4.059 11.387 ( 2.188 -1.547 3.894) 4.727 11.726 ( -5.337 -5.269 1.687) 7.687 11.787 ( -1.927 -3.538 -0.289) 4.039 12.026 ( 2.756 2.026 -1.021) 3.569 12.125 ( 2.015 -2.470 -0.773) 3.281 12.853 ( 1.688 9.651 -0.521) 9.811 12.982 ( 1.532 7.580 2.230) 8.048 13.020 ( 0.156 3.701 -0.040) 3.705 13.064 ( 4.347 3.149 -0.843) 5.434 14.363 ( -0.287 2.208 0.567) 2.298 14.408 ( -1.793 3.181 0.524) 3.689 14.477 ( -0.618 0.060 -2.418) 2.496 14.572 ( -2.889 -2.334 1.810) 4.131 15.057 ( 0.477 0.131 0.998) 1.114 15.248 ( -0.794 -9.090 -2.425) 9.442 15.524 ( -0.696 3.164 -1.245) 3.471 15.641 ( -0.722 -1.954 -0.461) 2.133 15.950 ( -2.330 4.836 -0.002) 5.369 16.010 ( 0.077 1.050 -0.383) 1.120 16.068 ( 1.714 3.761 -0.202) 4.138 16.153 ( -6.163 8.415 0.586) 10.447 16.239 ( -4.888 6.546 1.666) 8.338 16.405 ( 2.775 8.373 -1.490) 8.945 16.530 ( -5.858 5.644 -4.800) 9.445 16.586 ( -1.239 -3.535 1.189) 3.930 16.816 ( 0.556 -2.149 0.030) 2.220 16.915 ( 4.293 -4.458 3.262) 6.996 17.031 ( -2.061 1.718 -1.455) 3.052 17.227 ( 3.704 -3.078 -2.745) 5.543 17.891 ( -1.457 0.007 -0.251) 1.479 18.162 ( -4.749 -5.353 4.253) 8.324 18.245 ( 1.557 -4.848 -5.047) 7.169 18.365 ( -2.876 -6.469 -1.279) 7.195 21.670 ( -1.497 6.416 0.489) 6.606 21.742 ( 0.313 5.468 2.461) 6.005 21.999 ( -3.405 1.227 0.671) 3.681 22.071 ( -2.930 0.508 -0.990) 3.134 27.619 ( -0.911 0.788 4.368) 4.531 27.635 ( -1.242 0.117 3.239) 3.471 28.313 ( -8.366 5.792 -3.931) 10.909 28.494 ( -15.930 -0.475 -6.258) 17.122 29.182 ( 0.543 -0.390 0.491) 0.830 29.200 ( 0.671 -1.399 0.596) 1.662 29.463 ( -2.786 3.723 -0.467) 4.673 29.551 ( -8.757 0.834 -2.181) 9.063 30.241 ( -0.958 1.100 2.516) 2.909 30.275 ( -1.515 -0.685 4.641) 4.930 30.748 ( -4.398 2.595 0.801) 5.169 30.796 ( -3.455 0.399 -0.407) 3.501 31.360 ( 2.638 2.949 -0.311) 3.969 31.461 ( 2.605 -1.084 -0.231) 2.831 31.749 ( 3.518 -0.110 0.329) 3.535 31.833 ( 2.103 -3.380 -0.663) 4.035 31.994 ( 4.900 2.899 1.400) 5.863 32.059 ( 2.961 4.705 -3.173) 6.401 32.123 ( 9.082 -3.518 2.963) 10.181 32.297 ( 5.428 -6.671 -9.078) 12.505 32.708 ( 10.995 0.672 2.425) 11.280 32.870 ( 19.039 -7.085 3.211) 20.566 32.909 ( 6.728 1.422 3.704) 7.811 33.161 ( 6.085 -10.082 -2.031) 11.950 34.386 ( -5.501 6.330 1.617) 8.541 34.509 ( -4.092 -0.710 1.099) 4.296 34.704 ( -4.741 6.081 -0.736) 7.745 34.948 ( -4.517 -5.056 -3.607) 7.679 ======================= Grid point 24 (15/88) ======================= q-point: ( 0.20 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 124 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.716 ( 11.812 14.579 5.879) 19.663 1.878 ( 16.695 10.127 6.461) 20.567 2.165 ( 8.278 2.167 -7.456) 11.350 2.205 ( 9.138 7.180 -2.104) 11.810 2.578 ( 6.571 1.231 0.148) 6.687 2.649 ( 9.270 -0.411 1.208) 9.357 2.842 ( 0.790 0.957 0.433) 1.314 2.903 ( 12.828 -2.392 1.370) 13.121 3.067 ( -1.217 -3.200 2.045) 3.987 3.105 ( 3.308 -5.897 -1.993) 7.049 3.256 ( 3.761 0.686 2.085) 4.355 3.339 ( 10.795 3.980 6.956) 13.445 3.421 ( 9.768 6.865 0.863) 11.970 3.537 ( 8.288 6.559 2.497) 10.860 3.595 ( 5.150 8.187 -2.017) 9.880 3.651 ( 8.749 3.063 1.420) 9.378 3.721 ( 4.474 4.701 -0.847) 6.545 3.866 ( 4.349 -0.667 -0.286) 4.409 3.906 ( 5.939 0.656 -0.967) 6.052 3.938 ( 5.000 3.645 -0.213) 6.191 4.180 ( 3.721 -4.067 2.910) 6.234 4.269 ( -0.678 1.136 -8.701) 8.801 4.357 ( 3.809 1.438 -5.157) 6.570 4.399 ( 9.021 1.024 1.284) 9.169 4.578 ( 4.429 -10.356 -2.050) 11.448 4.625 ( 3.002 -2.546 -3.246) 5.102 4.769 ( 3.449 0.763 2.914) 4.579 4.930 ( 4.711 8.275 1.482) 9.637 4.984 ( 6.177 0.482 -2.926) 6.852 5.113 ( 2.414 10.787 1.682) 11.181 5.267 ( -1.258 -9.580 -2.551) 9.994 5.382 ( -0.789 1.226 -1.533) 2.115 5.458 ( 5.117 1.014 -5.163) 7.340 5.574 ( -5.075 3.525 9.065) 10.971 5.673 ( -4.889 0.603 5.402) 7.311 5.745 ( -0.494 -0.201 -1.031) 1.161 5.785 ( 0.129 0.210 -0.340) 0.420 6.041 ( 1.162 -7.247 -2.863) 7.878 6.269 ( 1.190 1.912 -3.950) 4.547 6.372 ( -1.900 0.236 4.628) 5.008 6.599 ( 4.425 -3.089 0.160) 5.399 6.651 ( 1.480 -1.971 3.101) 3.961 6.698 ( -0.061 7.112 0.582) 7.136 7.105 ( 0.051 -5.471 -5.613) 7.838 7.295 ( -7.896 0.116 6.280) 10.089 7.455 ( -6.925 -6.132 -0.461) 9.261 7.728 ( -4.774 -10.899 0.458) 11.907 7.939 ( -10.875 -10.109 -1.727) 14.947 8.553 ( -8.884 6.986 0.899) 11.338 8.700 ( -10.016 2.599 -3.781) 11.017 8.765 ( -10.510 -5.556 -4.620) 12.754 8.966 ( -7.076 -3.320 3.401) 8.524 9.210 ( 0.606 -1.682 2.735) 3.268 9.352 ( 3.308 -5.765 -6.812) 9.518 9.459 ( 2.301 3.006 6.086) 7.168 9.642 ( -2.908 -2.634 -0.044) 3.924 9.733 ( -2.384 2.176 6.343) 7.117 9.855 ( -1.663 -5.720 -3.382) 6.850 9.891 ( 5.374 -2.803 -2.654) 6.617 10.050 ( 3.448 -9.477 3.127) 10.558 10.377 ( 0.663 2.299 -3.223) 4.015 10.493 ( -3.285 -2.999 1.661) 4.748 10.764 ( -1.338 3.420 -0.205) 3.678 10.872 ( -1.539 -6.931 3.988) 8.143 10.993 ( -0.170 -2.872 -5.762) 6.440 11.076 ( -0.038 -6.043 -9.410) 11.183 11.324 ( 1.075 2.704 8.520) 9.003 11.449 ( 1.316 -2.086 2.916) 3.819 11.635 ( -4.843 -5.478 1.801) 7.530 11.742 ( -2.453 -4.395 -0.449) 5.053 12.073 ( 1.531 3.167 0.518) 3.555 12.147 ( 1.377 -0.559 -0.816) 1.695 12.892 ( 2.903 9.402 -0.870) 9.878 13.018 ( 0.741 7.704 0.031) 7.740 13.050 ( 2.773 5.483 2.173) 6.517 13.153 ( 5.193 2.313 -1.010) 5.774 14.342 ( -1.634 1.998 -1.890) 3.199 14.389 ( -1.400 1.573 1.475) 2.571 14.428 ( -1.655 1.294 -2.481) 3.251 14.534 ( -2.443 -0.645 2.400) 3.485 15.085 ( 1.483 0.109 1.643) 2.216 15.201 ( -1.051 -4.587 -4.327) 6.393 15.504 ( -0.723 0.808 -0.574) 1.227 15.605 ( -3.046 -1.895 -0.215) 3.594 15.861 ( -6.407 13.603 0.582) 15.048 15.994 ( -1.554 5.153 -1.493) 5.586 16.005 ( -1.955 4.804 0.449) 5.206 16.143 ( 2.827 4.279 -0.870) 5.202 16.201 ( -1.669 0.816 0.652) 1.969 16.417 ( 0.435 4.156 -2.713) 4.982 16.490 ( 1.437 7.143 1.198) 7.384 16.568 ( -1.059 -1.234 0.282) 1.651 16.845 ( 1.981 -2.159 1.303) 3.207 17.000 ( 1.104 -3.267 2.283) 4.136 17.018 ( 2.624 1.394 -0.119) 2.974 17.244 ( 0.757 -1.970 -3.433) 4.029 17.887 ( 0.807 -3.758 0.522) 3.879 18.105 ( -4.757 -8.472 3.724) 10.406 18.213 ( -0.452 -3.635 -5.336) 6.472 18.302 ( -2.928 -5.915 0.704) 6.638 21.653 ( -0.989 6.889 1.148) 7.054 21.762 ( 0.043 5.736 1.904) 6.044 21.922 ( -5.097 -0.401 1.005) 5.210 22.001 ( -3.062 -0.408 -1.737) 3.544 27.637 ( -1.626 0.288 5.412) 5.659 27.637 ( -1.621 0.272 5.272) 5.522 28.073 ( -12.201 4.296 -5.479) 14.048 28.127 ( -15.857 3.173 -6.278) 17.347 29.201 ( 0.905 -0.337 0.797) 1.253 29.221 ( 0.905 -1.163 0.698) 1.631 29.406 ( -2.703 1.927 -0.285) 3.332 29.423 ( -3.981 1.395 -1.114) 4.363 30.250 ( -0.231 0.894 2.963) 3.104 30.275 ( -0.997 -0.132 1.797) 2.060 30.651 ( -6.034 1.765 0.997) 6.366 30.697 ( -6.135 -0.117 -1.495) 6.316 31.429 ( 4.760 3.254 -0.448) 5.783 31.528 ( 4.308 -0.571 0.275) 4.355 31.823 ( 3.101 -1.014 0.918) 3.389 31.872 ( 2.449 -2.661 -0.330) 3.631 32.106 ( 4.832 3.697 -3.221) 6.884 32.123 ( 6.807 3.297 -1.083) 7.640 32.289 ( 2.618 -2.708 -5.269) 6.477 32.384 ( 11.625 -6.800 7.656) 15.492 32.933 ( 10.757 5.395 0.176) 12.035 33.022 ( 9.223 4.973 -2.747) 10.833 33.279 ( 10.561 -7.510 1.520) 13.048 33.354 ( 19.247 -13.736 0.093) 23.646 34.264 ( -8.486 6.320 2.098) 10.787 34.423 ( -6.249 -2.156 2.905) 7.221 34.587 ( -6.270 4.636 -1.297) 7.905 34.823 ( -4.778 -5.830 -4.147) 8.603 ======================= Grid point 25 (16/88) ======================= q-point: ( 0.30 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.988 ( 13.825 9.144 1.128) 16.614 2.197 ( 13.685 2.492 -1.780) 14.024 2.324 ( 14.137 7.228 1.376) 15.937 2.458 ( 14.179 4.988 0.238) 15.033 2.655 ( -0.545 -2.557 -0.358) 2.639 2.737 ( 4.835 -3.176 -0.866) 5.850 2.876 ( 3.472 1.749 -0.761) 3.961 3.016 ( -0.315 5.536 -0.196) 5.548 3.083 ( 5.827 -6.938 -4.843) 10.273 3.191 ( 2.461 -2.408 5.033) 6.098 3.295 ( -0.370 -5.118 -2.476) 5.697 3.375 ( -4.131 3.455 3.374) 6.355 3.551 ( -1.519 2.069 -0.649) 2.648 3.687 ( 3.897 10.381 -1.817) 11.236 3.729 ( 4.361 4.870 -1.252) 6.656 3.778 ( 3.172 2.697 5.501) 6.898 3.826 ( 4.518 11.191 -0.711) 12.089 3.971 ( 2.427 -2.477 -0.237) 3.476 4.003 ( 11.449 -1.095 -1.637) 11.617 4.112 ( 10.308 5.671 -2.680) 12.066 4.222 ( 4.738 0.399 -2.795) 5.516 4.285 ( 4.710 1.951 -1.128) 5.221 4.396 ( 1.464 -3.811 1.510) 4.353 4.462 ( 0.609 -3.253 -1.645) 3.696 4.669 ( 3.792 11.226 0.788) 11.875 4.711 ( 8.489 5.027 -2.757) 10.244 4.886 ( 5.889 -5.034 2.088) 8.024 5.002 ( 0.237 7.040 -3.358) 7.803 5.085 ( 6.940 1.712 -1.960) 7.412 5.205 ( 4.157 5.665 0.414) 7.039 5.240 ( 7.117 -9.780 -0.886) 12.128 5.392 ( -0.784 1.483 4.114) 4.443 5.533 ( 7.557 2.072 -4.275) 8.926 5.535 ( -2.084 -2.767 1.107) 3.637 5.648 ( -2.655 -1.222 12.746) 13.077 5.739 ( 0.890 -1.131 0.708) 1.604 5.844 ( 1.387 0.845 3.912) 4.236 6.034 ( 0.390 -7.786 -3.676) 8.619 6.251 ( 0.352 3.246 -3.058) 4.473 6.367 ( -2.604 -3.759 4.358) 6.317 6.653 ( 1.441 5.597 -0.887) 5.848 6.670 ( 2.327 3.441 0.765) 4.224 6.791 ( 4.920 -8.637 1.393) 10.037 7.058 ( -0.653 -3.833 -5.711) 6.909 7.186 ( -7.469 0.641 4.669) 8.831 7.311 ( -8.590 -4.632 0.631) 9.779 7.637 ( -4.897 -11.677 0.423) 12.669 7.726 ( -9.349 -8.063 -1.639) 12.454 8.356 ( -9.086 0.654 -4.973) 10.378 8.514 ( -7.059 -0.666 -10.108) 12.347 8.589 ( -6.428 4.712 7.029) 10.627 8.857 ( -5.985 -3.548 1.757) 7.176 9.219 ( -0.941 -0.501 1.583) 1.908 9.355 ( 2.356 -6.152 -6.535) 9.279 9.512 ( -2.146 2.782 4.828) 5.972 9.582 ( -3.054 -4.884 -0.230) 5.765 9.713 ( -2.616 5.564 4.365) 7.540 9.799 ( 0.044 -3.265 -4.177) 5.302 9.995 ( 5.441 -3.213 -0.687) 6.356 10.130 ( 2.261 -4.945 2.940) 6.181 10.382 ( 1.599 -1.163 -0.272) 1.996 10.490 ( 0.899 -4.640 3.233) 5.726 10.726 ( -1.777 1.600 -1.165) 2.660 10.848 ( -3.504 -6.505 2.531) 7.810 10.934 ( -2.396 -3.925 -2.978) 5.479 10.978 ( -2.404 -7.200 -9.103) 11.853 11.341 ( -3.786 2.487 2.675) 5.260 11.513 ( 2.300 -1.474 4.775) 5.502 11.587 ( -1.901 -5.272 1.708) 5.859 11.686 ( -2.884 -3.474 -0.771) 4.580 12.083 ( -0.456 3.810 0.973) 3.958 12.175 ( 1.453 -0.980 0.232) 1.768 12.944 ( 3.137 9.021 -1.013) 9.604 13.034 ( 0.773 7.633 0.260) 7.677 13.122 ( 2.885 7.027 1.701) 7.785 13.229 ( 3.665 3.539 -1.394) 5.282 14.289 ( -1.726 1.455 -2.187) 3.143 14.349 ( -1.489 -0.917 -3.131) 3.587 14.412 ( -0.529 3.342 1.718) 3.795 14.523 ( -0.703 -0.089 2.250) 2.359 15.137 ( 2.686 -0.303 1.503) 3.093 15.163 ( 0.664 -0.899 -3.456) 3.633 15.474 ( -2.718 -0.429 0.202) 2.759 15.531 ( -4.624 0.623 1.309) 4.846 15.808 ( -0.394 8.679 1.445) 8.808 15.936 ( -3.044 5.109 -2.164) 6.328 15.990 ( -0.555 5.290 0.131) 5.321 16.152 ( -0.535 1.682 -1.104) 2.081 16.220 ( 2.847 0.459 0.374) 2.908 16.400 ( -0.835 -0.058 -0.472) 0.961 16.546 ( 2.494 6.758 1.560) 7.370 16.564 ( 1.563 3.691 -1.101) 4.157 16.898 ( 2.040 -0.926 1.976) 2.987 17.014 ( 0.852 1.805 -1.307) 2.386 17.088 ( 2.265 -5.254 2.550) 6.264 17.216 ( -0.760 -2.434 -2.645) 3.674 17.910 ( 0.925 -5.398 -0.110) 5.477 18.044 ( -3.618 -9.690 1.973) 10.530 18.163 ( -1.165 -1.760 -3.092) 3.744 18.268 ( -2.036 -5.784 1.998) 6.449 21.650 ( -0.094 5.834 0.729) 5.880 21.773 ( -0.031 6.679 0.577) 6.704 21.836 ( -4.261 -2.248 0.960) 4.912 21.936 ( -2.542 -0.677 -1.276) 2.924 27.638 ( -1.941 0.444 3.506) 4.032 27.643 ( -1.913 0.280 2.319) 3.019 27.819 ( -10.055 3.350 -2.064) 10.798 27.835 ( -10.578 2.189 -3.972) 11.509 29.225 ( 0.963 -0.304 0.700) 1.229 29.241 ( 0.794 -0.842 0.272) 1.189 29.359 ( -1.948 1.062 -0.344) 2.246 29.365 ( -1.887 0.765 -0.514) 2.100 30.265 ( -0.280 0.680 -0.338) 0.809 30.280 ( 1.095 -0.067 1.628) 1.963 30.544 ( -5.938 0.229 -0.491) 5.962 30.564 ( -6.199 -0.350 -0.033) 6.209 31.525 ( 5.489 3.054 -0.060) 6.281 31.619 ( 4.803 -0.435 0.624) 4.863 31.857 ( -0.138 -0.834 0.353) 0.916 31.913 ( 1.173 -2.548 0.697) 2.891 32.166 ( 4.042 1.260 -2.586) 4.961 32.207 ( 5.039 0.162 -5.702) 7.611 32.360 ( 5.742 3.901 2.874) 7.513 32.625 ( 6.211 -8.298 7.511) 12.800 33.068 ( 7.261 10.189 -6.689) 14.187 33.213 ( 9.890 7.400 1.837) 12.488 33.463 ( 9.502 -5.734 -1.176) 11.161 33.679 ( 14.301 -10.559 -0.463) 17.783 34.121 ( -7.603 6.836 2.378) 10.498 34.333 ( -6.205 -6.186 4.619) 9.905 34.458 ( -5.854 3.173 -2.693) 7.182 34.727 ( -2.576 -7.549 -2.304) 8.302 ======================= Grid point 26 (17/88) ======================= q-point: ( 0.40 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 124 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.249 ( 12.743 8.728 0.157) 15.446 2.400 ( 8.825 0.870 -2.527) 9.221 2.565 ( 4.663 1.419 -1.223) 5.025 2.629 ( 3.671 2.745 0.035) 4.584 2.668 ( 7.569 -2.868 -0.012) 8.094 2.848 ( 5.174 -0.274 0.416) 5.198 2.932 ( 0.790 1.654 0.788) 1.995 2.997 ( 0.667 4.398 -2.143) 4.937 3.169 ( 6.137 1.105 -5.601) 8.382 3.219 ( -2.663 2.676 0.645) 3.830 3.260 ( 0.847 -3.546 4.565) 5.842 3.309 ( -4.706 4.507 3.044) 7.193 3.458 ( -4.668 2.656 -2.949) 6.127 3.710 ( 3.457 -0.014 -4.706) 5.840 3.766 ( 1.927 4.272 -1.441) 4.903 3.808 ( 2.958 3.646 1.190) 4.844 3.888 ( -2.957 -2.240 -0.398) 3.731 3.969 ( -4.735 -3.007 -0.578) 5.639 4.039 ( -7.339 -0.976 7.177) 10.311 4.206 ( 0.590 4.922 -7.510) 8.998 4.279 ( 9.165 11.218 -3.555) 14.915 4.359 ( 3.554 -4.711 0.343) 5.911 4.497 ( 5.236 -0.312 -1.703) 5.514 4.520 ( 2.875 -1.531 2.841) 4.322 4.702 ( 1.504 19.328 2.590) 19.558 4.820 ( 2.300 6.739 -2.776) 7.643 4.943 ( -0.706 3.131 0.791) 3.306 5.034 ( 4.722 0.151 1.075) 4.845 5.193 ( 5.054 2.516 -0.266) 5.652 5.312 ( 6.646 5.156 -0.069) 8.411 5.362 ( -0.280 -5.448 1.288) 5.605 5.448 ( 6.929 -3.680 2.050) 8.109 5.562 ( 3.387 -2.514 3.181) 5.283 5.650 ( 5.647 -1.231 -1.672) 6.017 5.730 ( 1.137 -4.272 3.396) 5.574 5.784 ( 4.217 -1.267 1.429) 4.630 5.887 ( -0.984 -2.692 7.281) 7.825 5.999 ( -0.695 -4.675 -4.277) 6.374 6.261 ( 2.835 0.045 -1.562) 3.237 6.342 ( -2.898 -4.011 3.205) 5.896 6.661 ( 0.287 6.763 -1.791) 7.002 6.722 ( 2.486 3.075 0.719) 4.019 6.867 ( 2.609 -5.521 -0.734) 6.150 6.993 ( -2.580 -2.858 -2.692) 4.698 7.102 ( -4.546 -0.641 1.707) 4.898 7.153 ( -7.626 -4.799 1.691) 9.168 7.557 ( -3.479 -11.735 -0.160) 12.241 7.586 ( -4.144 -7.819 -1.772) 9.025 8.200 ( -3.983 1.429 -1.369) 4.448 8.323 ( -5.025 -1.438 -8.415) 9.906 8.558 ( -2.460 7.795 4.556) 9.358 8.781 ( -2.968 -3.563 0.795) 4.705 9.213 ( -0.685 -0.642 1.396) 1.682 9.327 ( -0.493 -1.733 -5.524) 5.810 9.493 ( -1.202 -1.814 2.837) 3.576 9.540 ( -1.143 -6.532 -0.442) 6.646 9.663 ( -3.779 5.676 -0.340) 6.827 9.819 ( 1.874 0.240 0.908) 2.096 10.076 ( 3.383 -4.442 0.318) 5.593 10.176 ( 1.238 0.433 0.584) 1.436 10.432 ( 2.384 -3.792 1.389) 4.689 10.550 ( 2.180 -6.980 2.930) 7.878 10.696 ( -0.330 -1.596 0.008) 1.629 10.797 ( -3.242 -6.547 2.399) 7.689 10.846 ( -3.396 -3.481 -5.478) 7.325 10.874 ( -3.183 -7.776 -3.426) 9.074 11.273 ( -3.271 6.265 -0.382) 7.078 11.567 ( -0.094 -0.906 1.482) 1.739 11.587 ( 0.470 -7.572 2.895) 8.120 11.633 ( -1.817 -3.392 -0.667) 3.905 12.084 ( -0.127 3.769 0.807) 3.856 12.196 ( 0.551 -1.013 0.383) 1.215 12.989 ( 2.393 8.714 -0.940) 9.085 13.045 ( -0.097 7.915 0.641) 7.941 13.176 ( 1.776 7.579 0.764) 7.822 13.270 ( 1.728 4.831 -1.075) 5.242 14.255 ( -0.531 0.132 -0.978) 1.121 14.303 ( -0.861 -1.358 -2.501) 2.973 14.416 ( -0.179 3.822 1.005) 3.956 14.533 ( 0.056 -0.223 1.485) 1.502 15.180 ( 3.115 0.162 -1.411) 3.424 15.206 ( 3.240 -0.247 1.063) 3.419 15.403 ( -4.680 0.381 0.167) 4.699 15.459 ( -4.027 0.090 1.095) 4.174 15.833 ( 1.164 3.858 1.242) 4.217 15.867 ( -2.156 4.405 -1.543) 5.141 15.978 ( -0.663 6.749 -0.362) 6.791 16.141 ( 0.009 1.026 -0.296) 1.068 16.276 ( 2.577 0.377 0.334) 2.625 16.379 ( -1.181 -1.431 -0.179) 1.864 16.572 ( 1.264 7.112 -1.126) 7.311 16.626 ( 2.805 6.201 1.806) 7.041 16.945 ( 1.409 0.770 1.364) 2.107 17.012 ( 0.051 1.006 -1.211) 1.575 17.108 ( -0.856 -5.945 -1.378) 6.162 17.206 ( 0.776 -4.825 0.812) 4.954 17.913 ( -0.049 -4.702 -0.831) 4.775 18.006 ( -1.689 -8.640 1.078) 8.870 18.129 ( -0.665 -1.428 -1.055) 1.896 18.250 ( -1.209 -6.190 1.393) 6.459 21.660 ( 0.838 4.074 0.136) 4.161 21.746 ( -2.558 2.618 -0.247) 3.668 21.809 ( 0.326 1.209 0.967) 1.582 21.885 ( -2.091 0.061 -0.627) 2.184 27.566 ( -4.038 1.722 -3.184) 5.423 27.586 ( -3.718 0.345 -3.013) 4.798 27.702 ( -2.981 1.964 2.803) 4.539 27.723 ( -2.274 0.894 3.439) 4.219 29.244 ( 0.644 -0.357 0.252) 0.779 29.252 ( 0.379 -0.588 -0.224) 0.735 29.332 ( -0.754 0.626 -0.061) 0.981 29.336 ( -1.006 0.497 0.029) 1.122 30.257 ( 0.285 1.016 -1.230) 1.621 30.312 ( 1.229 -1.471 -0.231) 1.931 30.433 ( -4.014 0.766 -0.588) 4.128 30.479 ( -3.946 -1.249 1.501) 4.403 31.629 ( 5.228 2.078 0.323) 5.635 31.708 ( 3.451 -0.794 0.857) 3.644 31.832 ( -2.083 1.006 -0.400) 2.347 31.914 ( -1.238 -1.729 0.079) 2.128 32.217 ( 2.801 -0.138 -1.321) 3.100 32.259 ( 3.561 -1.653 -2.626) 4.723 32.499 ( 5.637 4.738 4.137) 8.446 32.701 ( -1.284 -4.332 1.058) 4.641 33.140 ( 4.478 10.152 -3.144) 11.532 33.382 ( 6.620 11.018 0.546) 12.865 33.599 ( 5.154 -6.783 -0.822) 8.558 33.868 ( 5.818 -3.387 -1.624) 6.925 34.058 ( -0.052 3.263 3.187) 4.562 34.262 ( -5.054 -11.825 4.901) 13.762 34.329 ( -4.703 4.321 -4.505) 7.816 34.689 ( -0.614 -8.754 -0.422) 8.785 ======================= Grid point 27 (18/88) ======================= q-point: (-0.50 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 66 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.404 ( 0.000 6.730 0.000) 6.730 2.454 ( 0.000 1.504 0.000) 1.504 2.562 ( 0.000 -1.341 0.000) 1.341 2.699 ( 0.000 2.555 0.000) 2.555 2.757 ( 0.000 -3.416 0.000) 3.416 2.898 ( -0.000 3.618 0.000) 3.618 2.934 ( 0.000 6.152 0.000) 6.152 2.971 ( -0.000 -0.560 -0.000) 0.560 3.198 ( -0.000 3.642 0.000) 3.642 3.218 ( 0.000 3.109 -0.000) 3.109 3.270 ( 0.000 8.311 -0.000) 8.311 3.350 ( -0.000 -2.174 -0.000) 2.174 3.369 ( 0.000 -1.242 0.000) 1.242 3.756 ( 0.000 -2.863 0.000) 2.863 3.797 ( -0.000 -7.844 0.000) 7.844 3.797 ( 0.000 5.315 -0.000) 5.315 3.854 ( -0.000 -10.560 0.000) 10.560 3.925 ( -0.000 3.666 0.000) 3.666 3.932 ( 0.000 8.696 0.000) 8.696 4.162 ( 0.000 7.663 0.000) 7.663 4.386 ( 0.000 -7.108 0.000) 7.108 4.437 ( 0.000 9.618 -0.000) 9.618 4.454 ( -0.000 2.623 0.000) 2.623 4.575 ( 0.000 2.203 0.000) 2.203 4.764 ( 0.000 16.173 0.000) 16.173 4.821 ( 0.000 9.310 -0.000) 9.310 4.921 ( 0.000 8.099 -0.000) 8.099 5.083 ( 0.000 -2.921 0.000) 2.921 5.248 ( 0.000 2.471 0.000) 2.471 5.345 ( 0.000 -3.028 0.000) 3.028 5.402 ( 0.000 -1.546 -0.000) 1.546 5.517 ( 0.000 0.387 0.000) 0.387 5.639 ( 0.000 -5.117 0.000) 5.117 5.705 ( 0.000 -6.662 -0.000) 6.662 5.751 ( 0.000 -5.725 0.000) 5.725 5.841 ( 0.000 0.814 0.000) 0.814 5.910 ( 0.000 -4.713 0.000) 4.713 5.965 ( 0.000 -1.883 -0.000) 1.883 6.303 ( 0.000 -4.293 -0.000) 4.293 6.315 ( -0.000 -0.482 0.000) 0.482 6.650 ( 0.000 6.578 -0.000) 6.578 6.761 ( 0.000 5.831 0.000) 5.831 6.883 ( -0.000 -1.932 0.000) 1.932 6.954 ( 0.000 -4.164 0.000) 4.164 7.023 ( 0.000 -4.122 0.000) 4.122 7.112 ( 0.000 -4.389 0.000) 4.389 7.521 ( 0.000 -11.216 0.000) 11.216 7.539 ( 0.000 -7.841 0.000) 7.841 8.177 ( 0.000 1.133 0.000) 1.133 8.224 ( 0.000 0.556 -0.000) 0.556 8.553 ( 0.000 7.616 0.000) 7.616 8.757 ( 0.000 -3.654 0.000) 3.654 9.215 ( 0.000 -2.001 0.000) 2.001 9.289 ( 0.000 1.951 0.000) 1.951 9.506 ( 0.000 -5.606 0.000) 5.606 9.527 ( 0.000 -7.651 0.000) 7.651 9.613 ( 0.000 7.677 0.000) 7.677 9.843 ( 0.000 0.529 0.000) 0.529 10.115 ( 0.000 -4.655 0.000) 4.655 10.189 ( 0.000 2.442 0.000) 2.442 10.460 ( 0.000 -3.823 0.000) 3.823 10.588 ( 0.000 -8.985 -0.000) 8.985 10.726 ( 0.000 -2.624 0.000) 2.624 10.757 ( -0.000 -4.725 -0.000) 4.725 10.781 ( 0.000 -6.408 0.000) 6.408 10.817 ( 0.000 -6.380 -0.000) 6.380 11.238 ( 0.000 8.050 0.000) 8.050 11.568 ( 0.000 -2.587 0.000) 2.587 11.605 ( 0.000 -1.767 0.000) 1.767 11.614 ( 0.000 -8.632 -0.000) 8.632 12.087 ( 0.000 3.805 0.000) 3.805 12.203 ( 0.000 -0.880 0.000) 0.880 13.012 ( 0.000 8.606 0.000) 8.606 13.043 ( 0.000 7.989 -0.000) 7.989 13.197 ( 0.000 7.767 0.000) 7.767 13.281 ( 0.000 5.234 0.000) 5.234 14.248 ( 0.000 -0.492 0.000) 0.492 14.284 ( 0.000 -1.432 0.000) 1.432 14.419 ( 0.000 3.984 0.000) 3.984 14.540 ( 0.000 -0.309 0.000) 0.309 15.231 ( 0.000 -0.342 0.000) 0.342 15.243 ( -0.000 0.749 0.000) 0.749 15.341 ( 0.000 1.123 0.000) 1.123 15.415 ( 0.000 -1.148 -0.000) 1.148 15.837 ( 0.000 5.286 0.000) 5.286 15.856 ( 0.000 0.645 0.000) 0.645 15.967 ( 0.000 7.968 0.000) 7.968 16.142 ( 0.000 1.079 0.000) 1.079 16.308 ( 0.000 0.567 0.000) 0.567 16.361 ( 0.000 -1.943 0.000) 1.943 16.580 ( 0.000 7.853 -0.000) 7.853 16.665 ( 0.000 6.791 0.000) 6.791 16.965 ( 0.000 1.241 0.000) 1.241 17.006 ( 0.000 0.780 0.000) 0.780 17.084 ( 0.000 -6.649 0.000) 6.649 17.222 ( 0.000 -5.820 0.000) 5.820 17.907 ( 0.000 -3.949 0.000) 3.949 17.995 ( 0.000 -8.012 0.000) 8.012 18.119 ( 0.000 -1.624 0.000) 1.624 18.244 ( 0.000 -6.411 0.000) 6.411 21.675 ( 0.000 3.180 0.000) 3.180 21.712 ( 0.000 1.285 0.000) 1.285 21.826 ( 0.000 2.225 0.000) 2.225 21.855 ( 0.000 0.683 -0.000) 0.683 27.511 ( 0.000 1.639 0.000) 1.639 27.530 ( 0.000 0.546 0.000) 0.546 27.693 ( 0.000 1.779 0.000) 1.779 27.719 ( 0.000 0.521 0.000) 0.521 29.252 ( 0.000 -0.399 0.000) 0.399 29.254 ( 0.000 -0.534 0.000) 0.534 29.326 ( 0.000 0.526 -0.000) 0.526 29.327 ( -0.000 0.439 0.000) 0.439 30.257 ( 0.000 0.858 -0.000) 0.858 30.315 ( 0.000 -1.704 0.000) 1.704 30.403 ( 0.000 0.543 0.000) 0.543 30.441 ( 0.000 -1.143 -0.000) 1.143 31.711 ( 0.000 0.208 0.000) 0.208 31.723 ( -0.000 -0.277 0.000) 0.277 31.809 ( 0.000 2.577 0.000) 2.577 31.892 ( 0.000 -1.190 0.000) 1.190 32.241 ( 0.000 -0.438 0.000) 0.438 32.285 ( 0.000 -2.231 0.000) 2.231 32.618 ( -0.000 0.866 0.000) 0.866 32.637 ( 0.000 1.800 0.000) 1.800 33.174 ( 0.000 9.184 0.000) 9.184 33.452 ( 0.000 13.766 -0.000) 13.766 33.640 ( 0.000 -9.554 0.000) 9.554 33.904 ( 0.000 6.081 0.000) 6.081 34.110 ( 0.000 -8.997 0.000) 8.997 34.232 ( 0.000 -16.223 -0.000) 16.223 34.242 ( -0.000 11.762 0.000) 11.762 34.684 ( 0.000 -9.082 -0.000) 9.082 ======================= Grid point 33 (19/88) ======================= q-point: ( 0.00 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 44 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.783 ( 0.000 -20.228 0.000) 20.228 1.783 ( 0.000 20.228 0.000) 20.228 2.027 ( 0.000 -18.927 0.000) 18.927 2.027 ( 0.000 18.927 0.000) 18.927 2.403 ( 0.000 -12.743 0.000) 12.743 2.403 ( 0.000 12.743 0.000) 12.743 2.539 ( 0.000 -2.087 0.000) 2.087 2.539 ( 0.000 2.087 0.000) 2.087 3.008 ( 0.000 -10.900 0.000) 10.900 3.008 ( 0.000 10.900 0.000) 10.900 3.168 ( 0.000 -9.135 0.000) 9.135 3.168 ( 0.000 9.135 0.000) 9.135 3.292 ( 0.000 -5.434 0.000) 5.434 3.292 ( 0.000 5.434 0.000) 5.434 3.512 ( 0.000 -7.280 0.000) 7.280 3.512 ( 0.000 7.280 0.000) 7.280 3.807 ( 0.000 -0.240 0.000) 0.240 3.807 ( 0.000 0.240 0.000) 0.240 3.876 ( 0.000 -18.173 0.000) 18.173 3.876 ( 0.000 18.173 0.000) 18.173 3.976 ( 0.000 -9.761 0.000) 9.761 3.976 ( 0.000 9.761 0.000) 9.761 4.124 ( 0.000 -5.639 0.000) 5.639 4.124 ( 0.000 5.639 0.000) 5.639 4.613 ( 0.000 -3.384 0.000) 3.384 4.613 ( 0.000 3.384 0.000) 3.384 4.816 ( 0.000 -11.058 0.000) 11.058 4.816 ( 0.000 11.058 0.000) 11.058 4.974 ( 0.000 -1.309 0.000) 1.309 4.974 ( 0.000 1.309 0.000) 1.309 5.410 ( 0.000 -13.693 0.000) 13.693 5.410 ( 0.000 13.693 0.000) 13.693 5.468 ( 0.000 -0.236 0.000) 0.236 5.468 ( 0.000 0.236 0.000) 0.236 5.825 ( 0.000 -5.317 0.000) 5.317 5.825 ( 0.000 5.317 0.000) 5.317 5.941 ( 0.000 -6.508 0.000) 6.508 5.941 ( 0.000 6.508 0.000) 6.508 6.230 ( 0.000 -2.938 0.000) 2.938 6.230 ( 0.000 2.938 0.000) 2.938 6.553 ( 0.000 -1.021 0.000) 1.021 6.553 ( 0.000 1.021 0.000) 1.021 7.028 ( 0.000 -6.364 0.000) 6.364 7.028 ( 0.000 6.364 0.000) 6.364 7.482 ( 0.000 -5.964 0.000) 5.964 7.482 ( 0.000 5.964 0.000) 5.964 7.855 ( 0.000 -16.093 0.000) 16.093 7.855 ( 0.000 16.093 0.000) 16.093 8.970 ( 0.000 -1.024 0.000) 1.024 8.970 ( 0.000 1.024 0.000) 1.024 9.004 ( 0.000 -0.982 0.000) 0.982 9.004 ( 0.000 0.982 0.000) 0.982 9.240 ( 0.000 -1.384 0.000) 1.384 9.240 ( 0.000 1.384 0.000) 1.384 9.507 ( 0.000 -14.980 0.000) 14.980 9.507 ( 0.000 14.980 0.000) 14.980 9.607 ( 0.000 -1.145 0.000) 1.145 9.607 ( 0.000 1.145 0.000) 1.145 9.923 ( 0.000 -5.546 0.000) 5.546 9.923 ( 0.000 5.546 0.000) 5.546 10.526 ( 0.000 -5.564 0.000) 5.564 10.526 ( 0.000 5.564 0.000) 5.564 10.773 ( 0.000 -0.339 0.000) 0.339 10.773 ( 0.000 0.339 0.000) 0.339 11.013 ( 0.000 -3.104 0.000) 3.104 11.013 ( 0.000 3.104 0.000) 3.104 11.316 ( 0.000 -2.309 0.000) 2.309 11.316 ( 0.000 2.309 0.000) 2.309 11.756 ( 0.000 -1.601 0.000) 1.601 11.756 ( 0.000 1.601 0.000) 1.601 12.036 ( 0.000 -1.719 0.000) 1.719 12.036 ( 0.000 1.719 0.000) 1.719 12.981 ( 0.000 -3.693 0.000) 3.693 12.981 ( 0.000 3.693 0.000) 3.693 13.064 ( 0.000 -0.579 0.000) 0.579 13.064 ( 0.000 0.579 0.000) 0.579 14.425 ( 0.000 -3.788 0.000) 3.788 14.425 ( 0.000 3.788 0.000) 3.788 14.534 ( 0.000 -4.410 0.000) 4.410 14.534 ( 0.000 4.410 0.000) 4.410 15.092 ( 0.000 -5.239 0.000) 5.239 15.092 ( 0.000 5.239 0.000) 5.239 15.609 ( 0.000 -2.705 0.000) 2.705 15.609 ( 0.000 2.705 0.000) 2.705 16.003 ( 0.000 -0.284 0.000) 0.284 16.003 ( 0.000 0.284 0.000) 0.284 16.155 ( 0.000 -4.900 0.000) 4.900 16.155 ( 0.000 4.900 0.000) 4.900 16.441 ( 0.000 -1.474 0.000) 1.474 16.441 ( 0.000 1.474 0.000) 1.474 16.616 ( 0.000 -3.728 0.000) 3.728 16.616 ( 0.000 3.728 0.000) 3.728 16.809 ( 0.000 -0.666 0.000) 0.666 16.809 ( 0.000 0.666 0.000) 0.666 17.094 ( 0.000 -3.379 0.000) 3.379 17.094 ( 0.000 3.379 0.000) 3.379 18.025 ( 0.000 -8.570 0.000) 8.570 18.025 ( 0.000 8.570 0.000) 8.570 18.284 ( 0.000 -4.732 0.000) 4.732 18.284 ( 0.000 4.732 0.000) 4.732 21.761 ( 0.000 -1.835 0.000) 1.835 21.761 ( 0.000 1.835 0.000) 1.835 22.088 ( 0.000 -2.673 0.000) 2.673 22.088 ( 0.000 2.673 0.000) 2.673 27.629 ( 0.000 -0.592 0.000) 0.592 27.629 ( 0.000 0.592 0.000) 0.592 28.556 ( 0.000 -7.277 0.000) 7.277 28.556 ( 0.000 7.277 0.000) 7.277 29.173 ( 0.000 -0.325 0.000) 0.325 29.173 ( 0.000 0.325 0.000) 0.325 29.601 ( 0.000 -5.156 0.000) 5.156 29.601 ( 0.000 5.156 0.000) 5.156 30.254 ( 0.000 -0.479 0.000) 0.479 30.254 ( 0.000 0.479 0.000) 0.479 30.825 ( 0.000 -1.205 0.000) 1.205 30.825 ( 0.000 1.205 0.000) 1.205 31.394 ( 0.000 -2.707 0.000) 2.707 31.394 ( 0.000 2.707 0.000) 2.707 31.742 ( 0.000 -2.739 0.000) 2.739 31.742 ( 0.000 2.739 0.000) 2.739 31.985 ( 0.000 -1.989 0.000) 1.989 31.985 ( 0.000 1.989 0.000) 1.989 32.126 ( 0.000 -1.578 0.000) 1.578 32.126 ( 0.000 1.578 0.000) 1.578 32.601 ( 0.000 -2.519 0.000) 2.519 32.601 ( 0.000 2.519 0.000) 2.519 32.942 ( 0.000 -6.160 0.000) 6.160 32.942 ( 0.000 6.160 0.000) 6.160 34.519 ( 0.000 -2.484 0.000) 2.484 34.519 ( 0.000 2.484 0.000) 2.484 34.888 ( 0.000 -6.629 0.000) 6.629 34.888 ( 0.000 6.629 0.000) 6.629 ======================= Grid point 35 (20/88) ======================= q-point: ( 0.10 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.826 ( 5.097 -13.050 -1.895) 14.138 1.826 ( 5.097 13.050 -1.895) 14.138 2.071 ( 3.259 -14.382 4.811) 15.512 2.071 ( 3.259 14.382 4.811) 15.512 2.477 ( 7.586 -11.243 2.680) 13.825 2.477 ( 7.586 11.243 2.680) 13.825 2.643 ( 6.842 -6.650 2.805) 9.945 2.643 ( 6.842 6.650 2.805) 9.945 3.060 ( 3.650 -6.011 -3.003) 7.646 3.060 ( 3.650 6.011 -3.003) 7.646 3.192 ( 6.286 -8.784 -3.281) 11.289 3.192 ( 6.286 8.784 -3.281) 11.289 3.362 ( 3.313 -2.472 4.256) 5.933 3.362 ( 3.313 2.472 4.256) 5.933 3.557 ( 6.198 -10.041 1.175) 11.859 3.557 ( 6.198 10.041 1.175) 11.859 3.800 ( 2.640 -2.938 -6.405) 7.525 3.800 ( 2.640 2.938 -6.405) 7.525 3.908 ( 2.810 -9.896 2.030) 10.485 3.908 ( 2.810 9.896 2.030) 10.485 4.034 ( 6.056 -11.154 0.795) 12.717 4.034 ( 6.056 11.154 0.795) 12.717 4.210 ( 6.374 -4.817 3.383) 8.676 4.210 ( 6.374 4.817 3.383) 8.676 4.535 ( -3.944 -3.759 -4.385) 6.994 4.535 ( -3.944 3.759 -4.385) 6.994 4.856 ( 2.757 -5.773 -0.201) 6.401 4.856 ( 2.757 5.773 -0.201) 6.401 5.037 ( 4.231 -4.410 0.938) 6.183 5.037 ( 4.231 4.410 0.938) 6.183 5.423 ( 3.770 -4.240 -8.434) 10.165 5.423 ( 3.770 4.240 -8.434) 10.165 5.468 ( -2.324 -11.796 8.778) 14.887 5.468 ( -2.324 11.796 8.778) 14.887 5.781 ( -3.936 -4.648 -0.965) 6.166 5.781 ( -3.936 4.648 -0.965) 6.166 5.911 ( -2.687 -8.077 0.126) 8.513 5.911 ( -2.687 8.077 0.126) 8.513 6.245 ( 1.621 -1.817 -0.245) 2.447 6.245 ( 1.621 1.817 -0.245) 2.447 6.568 ( 1.093 -2.118 0.753) 2.500 6.568 ( 1.093 2.118 0.753) 2.500 6.997 ( -2.549 -8.562 -0.286) 8.938 6.997 ( -2.549 8.562 -0.286) 8.938 7.445 ( -3.541 -5.198 -0.613) 6.320 7.445 ( -3.541 5.198 -0.613) 6.320 7.811 ( -4.668 -14.075 0.551) 14.839 7.811 ( -4.668 14.075 0.551) 14.839 8.869 ( -9.418 -5.057 1.148) 10.751 8.869 ( -9.418 5.057 1.148) 10.751 8.964 ( -4.585 -2.936 -2.370) 5.938 8.964 ( -4.585 2.936 -2.370) 5.938 9.213 ( -0.359 -6.383 -1.007) 6.472 9.213 ( -0.359 6.383 -1.007) 6.472 9.542 ( 2.021 -14.196 5.467) 15.345 9.542 ( 2.021 14.196 5.467) 15.345 9.704 ( 5.722 -1.561 1.925) 6.236 9.704 ( 5.722 1.561 1.925) 6.236 9.868 ( -2.372 -3.235 -4.351) 5.918 9.868 ( -2.372 3.235 -4.351) 5.918 10.490 ( -2.592 -4.107 -0.666) 4.902 10.490 ( -2.592 4.107 -0.666) 4.902 10.807 ( 0.857 -0.387 2.540) 2.708 10.807 ( 0.857 0.387 2.540) 2.708 11.018 ( 2.129 -3.098 -5.758) 6.876 11.018 ( 2.129 3.098 -5.758) 6.876 11.331 ( 0.121 -3.635 4.431) 5.732 11.331 ( 0.121 3.635 4.431) 5.732 11.708 ( -3.849 -2.960 -0.218) 4.861 11.708 ( -3.849 2.960 -0.218) 4.861 12.074 ( 3.191 -2.621 -0.559) 4.167 12.074 ( 3.191 2.621 -0.559) 4.167 12.999 ( 1.567 -4.089 0.324) 4.391 12.999 ( 1.567 4.089 0.324) 4.391 13.086 ( 2.311 -1.186 0.114) 2.600 13.086 ( 2.311 1.186 0.114) 2.600 14.419 ( -0.799 -2.705 -0.233) 2.830 14.419 ( -0.799 2.705 -0.233) 2.830 14.512 ( -1.962 -3.698 0.197) 4.191 14.512 ( -1.962 3.698 0.197) 4.191 15.100 ( 0.650 -4.803 0.190) 4.850 15.100 ( 0.650 4.803 0.190) 4.850 15.589 ( -1.437 -3.074 -1.065) 3.557 15.589 ( -1.437 3.074 -1.065) 3.557 16.009 ( 0.511 -1.163 -0.052) 1.272 16.009 ( 0.511 1.163 -0.052) 1.272 16.160 ( 0.180 -4.141 0.091) 4.146 16.160 ( 0.180 4.141 0.091) 4.146 16.411 ( -4.163 -6.869 1.246) 8.128 16.411 ( -4.163 6.869 1.246) 8.128 16.574 ( -1.594 -1.108 -2.220) 2.949 16.574 ( -1.594 1.108 -2.220) 2.949 16.836 ( 1.628 -3.299 1.856) 4.121 16.836 ( 1.628 3.299 1.856) 4.121 17.114 ( 2.432 -6.499 -1.658) 7.134 17.114 ( 2.432 6.499 -1.658) 7.134 17.989 ( -3.702 -8.667 0.634) 9.445 17.989 ( -3.702 8.667 0.634) 9.445 18.254 ( -1.616 -3.816 -2.178) 4.682 18.254 ( -1.616 3.816 -2.178) 4.682 21.765 ( -0.384 -2.659 1.734) 3.197 21.765 ( -0.384 2.659 1.734) 3.197 22.049 ( -3.605 -2.651 -0.567) 4.511 22.049 ( -3.605 2.651 -0.567) 4.511 27.632 ( -1.058 -0.398 3.452) 3.632 27.632 ( -1.058 0.398 3.452) 3.632 28.428 ( -10.669 -5.148 -5.028) 12.869 28.428 ( -10.669 5.148 -5.028) 12.869 29.181 ( 0.647 -0.437 0.578) 0.971 29.181 ( 0.647 0.437 0.578) 0.971 29.529 ( -5.247 -2.534 -1.389) 5.990 29.529 ( -5.247 2.534 -1.389) 5.990 30.260 ( -0.951 -0.811 3.354) 3.579 30.260 ( -0.951 0.811 3.354) 3.579 30.789 ( -4.094 -1.273 0.279) 4.296 30.789 ( -4.094 1.273 0.279) 4.296 31.421 ( 2.938 -2.789 -0.286) 4.061 31.421 ( 2.938 2.789 -0.286) 4.061 31.772 ( 2.734 -2.322 0.077) 3.588 31.772 ( 2.734 2.322 0.077) 3.588 32.054 ( 6.240 -3.137 1.423) 7.128 32.054 ( 6.240 3.137 1.423) 7.128 32.168 ( 5.144 -5.959 -5.257) 9.466 32.168 ( 5.144 5.959 -5.257) 9.466 32.752 ( 13.110 -3.800 5.023) 14.545 32.752 ( 13.110 3.800 5.023) 14.545 33.000 ( 6.617 -6.175 -1.794) 9.227 33.000 ( 6.617 6.175 -1.794) 9.227 34.476 ( -4.909 -2.840 1.362) 5.833 34.476 ( -4.909 2.840 1.362) 5.833 34.831 ( -5.033 -6.323 -1.631) 8.244 34.831 ( -5.033 6.323 -1.631) 8.244 ======================= Grid point 37 (21/88) ======================= q-point: ( 0.20 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.953 ( 9.900 -5.522 -1.422) 11.425 1.953 ( 9.900 5.522 -1.422) 11.425 2.230 ( 9.126 -4.092 6.218) 11.776 2.230 ( 9.126 4.092 6.218) 11.776 2.632 ( 1.531 -5.232 4.246) 6.910 2.632 ( 1.531 5.232 4.246) 6.910 2.786 ( 10.666 -4.368 -5.811) 12.908 2.786 ( 10.666 4.368 -5.811) 12.908 3.083 ( 2.563 -3.324 -0.985) 4.311 3.083 ( 2.563 3.324 -0.985) 4.311 3.299 ( 1.866 -5.390 1.274) 5.844 3.299 ( 1.866 5.390 1.274) 5.844 3.519 ( 11.577 -4.030 4.559) 13.079 3.519 ( 11.577 4.030 4.559) 13.079 3.724 ( 7.733 -3.464 2.451) 8.821 3.724 ( 7.733 3.464 2.451) 8.821 3.814 ( 3.378 -4.338 -4.097) 6.856 3.814 ( 3.378 4.338 -4.097) 6.856 4.039 ( 8.556 -5.900 -0.107) 10.394 4.039 ( 8.556 5.900 -0.107) 10.394 4.197 ( 9.824 -17.555 -2.593) 20.283 4.197 ( 9.824 17.555 -2.593) 20.283 4.307 ( 2.130 -2.815 -5.449) 6.493 4.307 ( 2.130 2.815 -5.449) 6.493 4.514 ( 6.184 -4.515 3.438) 8.393 4.514 ( 6.184 4.515 3.438) 8.393 4.904 ( 4.260 -6.632 -3.593) 8.663 4.904 ( 4.260 6.632 -3.593) 8.663 5.089 ( -0.059 -6.523 2.306) 6.919 5.089 ( -0.059 6.523 2.306) 6.919 5.401 ( 0.167 -5.283 -3.406) 6.288 5.401 ( 0.167 5.283 -3.406) 6.288 5.515 ( -1.190 -12.084 6.706) 13.872 5.515 ( -1.190 12.084 6.706) 13.872 5.702 ( -3.021 -1.975 0.204) 3.615 5.702 ( -3.021 1.975 0.204) 3.615 5.868 ( -0.855 -8.610 -0.829) 8.692 5.868 ( -0.855 8.610 -0.829) 8.692 6.278 ( 1.826 -2.639 -0.818) 3.312 6.278 ( 1.826 2.639 -0.818) 3.312 6.604 ( 2.142 -1.844 1.149) 3.051 6.604 ( 2.142 1.844 1.149) 3.051 6.949 ( -1.906 -11.867 -0.619) 12.035 6.949 ( -1.906 11.867 -0.619) 12.035 7.351 ( -5.867 -4.206 -0.034) 7.220 7.351 ( -5.867 4.206 -0.034) 7.220 7.698 ( -7.402 -9.415 0.437) 11.984 7.698 ( -7.402 9.415 0.437) 11.984 8.652 ( -11.833 -4.609 -3.066) 13.064 8.652 ( -11.833 4.609 -3.066) 13.064 8.848 ( -5.962 -8.329 0.471) 10.254 8.848 ( -5.962 8.329 0.471) 10.254 9.219 ( 0.986 -4.246 -0.322) 4.371 9.219 ( 0.986 4.246 -0.322) 4.371 9.612 ( -1.954 -10.226 5.580) 11.812 9.612 ( -1.954 10.226 5.580) 11.812 9.732 ( 0.861 -6.717 -2.799) 7.328 9.732 ( 0.861 6.717 -2.799) 7.328 9.892 ( 5.167 -3.975 0.812) 6.570 9.892 ( 5.167 3.975 0.812) 6.570 10.440 ( -1.896 -2.944 -0.607) 3.554 10.440 ( -1.896 2.944 -0.607) 3.554 10.811 ( -2.740 -1.679 3.121) 4.479 10.811 ( -2.740 1.679 3.121) 4.479 10.981 ( 0.137 -2.548 -9.360) 9.701 10.981 ( 0.137 2.548 -9.360) 9.701 11.383 ( 0.403 -3.451 6.094) 7.015 11.383 ( 0.403 3.451 6.094) 7.015 11.644 ( -2.569 -4.474 0.138) 5.161 11.644 ( -2.569 4.474 0.138) 5.161 12.119 ( 1.691 -1.796 -0.200) 2.474 12.119 ( 1.691 1.796 -0.200) 2.474 13.037 ( 2.138 -4.070 0.109) 4.599 13.037 ( 2.138 4.070 0.109) 4.599 13.149 ( 3.947 -2.660 0.391) 4.775 13.149 ( 3.947 2.660 0.391) 4.775 14.383 ( -1.851 -1.706 -2.526) 3.567 14.383 ( -1.851 1.706 -2.526) 3.567 14.486 ( -1.517 -3.552 2.145) 4.418 14.486 ( -1.517 3.552 2.145) 4.418 15.116 ( 1.111 -3.165 -0.286) 3.366 15.116 ( 1.111 3.165 -0.286) 3.366 15.548 ( -2.017 -3.052 -0.927) 3.774 15.548 ( -2.017 3.052 -0.927) 3.774 16.010 ( -0.817 -1.895 0.018) 2.064 16.010 ( -0.817 1.895 0.018) 2.064 16.147 ( -1.628 -5.052 -0.486) 5.331 16.147 ( -1.628 5.052 -0.486) 5.331 16.324 ( -3.568 -10.818 -0.462) 11.401 16.324 ( -3.568 10.818 -0.462) 11.401 16.566 ( 1.174 -0.510 0.594) 1.411 16.566 ( 1.174 0.510 0.594) 1.411 16.888 ( 2.123 -5.229 2.312) 6.098 16.888 ( 2.123 5.229 2.312) 6.098 17.142 ( 2.062 -7.493 -3.225) 8.414 17.142 ( 2.062 7.493 -3.225) 8.414 17.922 ( -3.252 -7.118 0.731) 7.860 17.922 ( -3.252 7.118 0.731) 7.860 18.209 ( -1.769 -2.652 -0.940) 3.323 18.209 ( -1.769 2.652 -0.940) 3.323 21.769 ( -0.972 -4.050 2.295) 4.756 21.769 ( -0.972 4.050 2.295) 4.756 21.963 ( -4.211 -3.196 -1.110) 5.402 21.963 ( -4.211 3.196 -1.110) 5.402 27.641 ( -1.548 -0.028 5.056) 5.288 27.641 ( -1.548 0.028 5.056) 5.288 28.137 ( -13.993 -1.792 -6.169) 15.397 28.137 ( -13.993 1.792 -6.169) 15.397 29.203 ( 0.978 -0.543 0.811) 1.382 29.203 ( 0.978 0.543 0.811) 1.382 29.432 ( -3.757 -0.507 -0.896) 3.896 29.432 ( -3.757 0.507 -0.896) 3.896 30.267 ( -0.630 -0.677 2.511) 2.676 30.267 ( -0.630 0.677 2.511) 2.676 30.683 ( -6.668 -1.231 -0.222) 6.784 30.683 ( -6.668 1.231 -0.222) 6.784 31.494 ( 4.712 -2.792 -0.136) 5.479 31.494 ( 4.712 2.792 -0.136) 5.479 31.827 ( 2.710 -1.447 0.133) 3.075 31.827 ( 2.710 1.447 0.133) 3.075 32.163 ( 4.698 -0.973 -5.790) 7.519 32.163 ( 4.698 0.973 -5.790) 7.519 32.274 ( 8.264 -2.988 4.418) 9.836 32.274 ( 8.264 2.988 4.418) 9.836 33.081 ( 16.732 -7.395 -1.471) 18.353 33.081 ( 16.732 7.395 -1.471) 18.353 33.155 ( 10.717 -3.955 1.750) 11.557 33.155 ( 10.717 3.955 1.750) 11.557 34.367 ( -7.863 -3.750 2.425) 9.043 34.367 ( -7.863 3.750 2.425) 9.043 34.699 ( -6.619 -6.194 -2.302) 9.353 34.699 ( -6.619 6.194 -2.302) 9.353 ======================= Grid point 39 (22/88) ======================= q-point: ( 0.30 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.170 ( 13.435 -6.581 -0.492) 14.969 2.170 ( 13.435 6.581 -0.492) 14.969 2.476 ( 10.780 -6.570 2.694) 12.908 2.476 ( 10.780 6.570 2.694) 12.908 2.631 ( -0.025 -5.107 1.705) 5.384 2.631 ( -0.025 5.107 1.705) 5.384 2.934 ( 9.093 -4.791 -6.956) 12.411 2.934 ( 9.093 4.791 -6.956) 12.411 3.131 ( 1.052 -4.613 2.683) 5.439 3.131 ( 1.052 4.613 2.683) 5.439 3.305 ( -0.712 -5.909 -0.453) 5.969 3.305 ( -0.712 5.909 -0.453) 5.969 3.693 ( 2.250 -6.971 0.548) 7.345 3.693 ( 2.250 6.971 0.548) 7.345 3.848 ( -0.704 -3.316 0.331) 3.406 3.848 ( -0.704 3.316 0.331) 3.406 3.901 ( 7.299 -4.256 1.405) 8.565 3.901 ( 7.298 4.256 1.405) 8.565 4.095 ( 1.064 -8.043 -4.643) 9.348 4.095 ( 1.064 8.043 -4.643) 9.348 4.301 ( 9.262 -6.510 -3.768) 11.932 4.301 ( 9.262 6.510 -3.768) 11.932 4.356 ( 2.566 -3.227 0.731) 4.187 4.356 ( 2.566 3.227 0.731) 4.187 4.761 ( 14.117 -4.936 2.277) 15.128 4.761 ( 14.117 4.936 2.277) 15.128 4.961 ( 2.092 -5.789 -1.755) 6.401 4.961 ( 2.092 5.789 -1.755) 6.401 5.112 ( 4.408 -2.744 -0.544) 5.221 5.112 ( 4.408 2.744 -0.544) 5.221 5.417 ( 0.362 -3.724 4.934) 6.192 5.417 ( 0.362 3.724 4.934) 6.192 5.527 ( 0.492 -10.342 2.585) 10.671 5.527 ( 0.492 10.342 2.585) 10.671 5.668 ( -1.796 -6.226 2.157) 6.829 5.668 ( -1.796 6.226 2.157) 6.829 5.872 ( 1.846 -7.007 -2.168) 7.564 5.872 ( 1.846 7.007 -2.168) 7.564 6.287 ( -0.226 -1.401 -0.631) 1.553 6.287 ( -0.226 1.401 -0.631) 1.553 6.671 ( 3.751 -1.999 1.628) 4.552 6.671 ( 3.751 1.999 1.628) 4.552 6.919 ( -0.170 -12.270 -2.261) 12.478 6.919 ( -0.170 12.270 -2.261) 12.478 7.229 ( -7.624 -3.243 1.406) 8.404 7.229 ( -7.624 3.243 1.406) 8.404 7.556 ( -7.105 -4.931 -0.423) 8.659 7.556 ( -7.105 4.931 -0.423) 8.659 8.419 ( -8.960 -5.182 -4.688) 11.363 8.419 ( -8.960 5.182 -4.688) 11.363 8.758 ( -4.459 -7.292 1.736) 8.722 8.758 ( -4.459 7.292 1.736) 8.722 9.233 ( 0.405 -3.691 0.017) 3.713 9.233 ( 0.405 3.691 0.017) 3.713 9.549 ( -3.924 -2.713 -1.555) 5.018 9.549 ( -3.924 2.713 -1.555) 5.018 9.768 ( 1.121 -1.540 1.493) 2.420 9.768 ( 1.121 1.540 1.493) 2.420 9.995 ( 4.392 -4.565 2.406) 6.776 9.995 ( 4.392 4.565 2.406) 6.776 10.420 ( 0.178 -3.101 -0.005) 3.106 10.420 ( 0.178 3.101 -0.005) 3.106 10.758 ( -4.617 -3.201 2.236) 6.047 10.758 ( -4.617 3.201 2.236) 6.047 10.899 ( -1.634 -0.942 -7.379) 7.616 10.899 ( -1.634 0.942 -7.379) 7.616 11.420 ( -0.576 -4.937 3.954) 6.351 11.420 ( -0.576 4.937 3.954) 6.351 11.608 ( -1.635 -3.766 -0.029) 4.106 11.608 ( -1.635 3.766 -0.029) 4.106 12.139 ( 0.445 -2.157 0.749) 2.326 12.139 ( 0.445 2.157 0.749) 2.326 13.078 ( 2.032 -3.262 0.055) 3.843 13.078 ( 2.032 3.262 0.055) 3.843 13.226 ( 3.591 -3.201 0.241) 4.816 13.226 ( 3.591 3.201 0.241) 4.816 14.323 ( -1.843 -1.632 -3.248) 4.076 14.323 ( -1.843 1.632 -3.248) 4.076 14.485 ( -0.529 -3.352 2.372) 4.140 14.485 ( -0.529 3.352 2.372) 4.140 15.142 ( 2.152 -0.966 -0.493) 2.410 15.142 ( 2.152 0.966 -0.493) 2.410 15.499 ( -2.913 -2.340 -0.016) 3.736 15.499 ( -2.913 2.340 -0.016) 3.736 15.965 ( -3.553 -3.350 -0.091) 4.884 15.965 ( -3.553 3.350 -0.091) 4.884 16.115 ( -0.688 -5.493 -0.323) 5.545 16.115 ( -0.688 5.493 -0.323) 5.545 16.296 ( 0.436 -7.771 -0.654) 7.811 16.296 ( 0.436 7.771 -0.654) 7.811 16.611 ( 2.302 -0.273 1.992) 3.056 16.611 ( 2.302 0.273 1.992) 3.056 16.947 ( 2.262 -5.591 1.685) 6.262 16.947 ( 2.262 5.591 1.685) 6.262 17.134 ( 0.052 -5.783 -3.859) 6.952 17.134 ( 0.052 5.783 -3.859) 6.953 17.888 ( -1.091 -4.041 0.771) 4.256 17.888 ( -1.091 4.041 0.771) 4.256 18.173 ( -1.854 -2.897 0.336) 3.456 18.173 ( -1.854 2.897 0.336) 3.456 21.758 ( -1.730 -4.618 1.457) 5.142 21.758 ( -1.730 4.618 1.457) 5.142 21.891 ( -2.352 -3.911 -0.838) 4.640 21.891 ( -2.352 3.911 -0.838) 4.640 27.644 ( -1.747 -0.151 2.913) 3.400 27.644 ( -1.747 0.151 2.913) 3.400 27.856 ( -10.856 -0.354 -3.217) 11.328 27.856 ( -10.856 0.354 -3.217) 11.328 29.227 ( 0.944 -0.476 0.540) 1.188 29.227 ( 0.944 0.476 0.540) 1.188 29.372 ( -2.171 -0.158 -0.555) 2.247 29.372 ( -2.171 0.158 -0.555) 2.247 30.276 ( 0.250 -0.372 0.670) 0.806 30.276 ( 0.250 0.372 0.670) 0.806 30.553 ( -6.474 -0.616 -0.209) 6.507 30.553 ( -6.474 0.616 -0.209) 6.507 31.587 ( 4.903 -2.700 0.285) 5.604 31.587 ( 4.903 2.700 0.285) 5.604 31.866 ( 1.100 -1.704 0.230) 2.041 31.866 ( 1.100 1.704 0.230) 2.041 32.193 ( 3.725 -1.264 -5.172) 6.498 32.193 ( 3.725 1.264 -5.172) 6.498 32.470 ( 6.721 -6.840 6.448) 11.556 32.470 ( 6.721 6.840 6.448) 11.556 33.276 ( 10.978 -8.164 -9.216) 16.496 33.276 ( 10.978 8.164 -9.216) 16.496 33.438 ( 12.269 -10.356 6.339) 17.262 33.438 ( 12.269 10.356 6.339) 17.262 34.233 ( -8.019 -4.438 2.670) 9.546 34.233 ( -8.019 4.438 2.670) 9.546 34.570 ( -4.924 -7.367 -1.825) 9.047 34.570 ( -4.924 7.367 -1.825) 9.047 ======================= Grid point 41 (23/88) ======================= q-point: ( 0.40 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.414 ( 11.036 -4.223 -0.163) 11.817 2.414 ( 11.036 4.223 -0.163) 11.817 2.547 ( 1.543 -4.233 -4.400) 6.297 2.547 ( 1.543 4.233 -4.400) 6.297 2.766 ( 5.688 -6.633 6.470) 10.872 2.766 ( 5.688 6.633 6.470) 10.872 3.021 ( 5.232 -6.356 -4.638) 9.449 3.021 ( 5.232 6.356 -4.638) 9.449 3.163 ( 0.232 -4.380 2.555) 5.076 3.163 ( 0.232 4.380 2.555) 5.076 3.300 ( 2.723 -3.717 -3.117) 5.563 3.300 ( 2.723 3.717 -3.117) 5.563 3.642 ( -6.612 -11.978 -0.805) 13.706 3.642 ( -6.612 11.978 -0.805) 13.706 3.768 ( -3.760 -4.106 -0.903) 5.640 3.768 ( -3.760 4.106 -0.903) 5.640 3.946 ( -2.560 -4.438 0.848) 5.193 3.946 ( -2.560 4.438 0.848) 5.193 4.127 ( 3.785 -11.268 -1.040) 11.932 4.127 ( 3.785 11.268 -1.040) 11.932 4.362 ( 0.161 -5.329 -1.598) 5.566 4.362 ( 0.161 5.329 -1.598) 5.566 4.513 ( 10.014 -3.306 -0.452) 10.555 4.513 ( 10.014 3.306 -0.452) 10.555 4.910 ( 2.057 -3.274 0.236) 3.874 4.910 ( 2.057 3.274 0.236) 3.874 5.019 ( 3.107 -5.080 4.206) 7.291 5.019 ( 3.107 5.080 4.206) 7.291 5.231 ( 6.635 -4.513 -4.638) 9.268 5.231 ( 6.635 4.513 -4.638) 9.268 5.464 ( 1.830 -4.603 3.176) 5.885 5.464 ( 1.830 4.603 3.176) 5.885 5.563 ( -1.553 -9.565 6.737) 11.802 5.563 ( -1.553 9.565 6.737) 11.802 5.694 ( 3.027 -6.130 0.974) 6.906 5.694 ( 3.027 6.130 0.974) 6.906 5.894 ( 2.755 -5.627 -3.440) 7.148 5.894 ( 2.755 5.627 -3.440) 7.148 6.274 ( -0.595 -1.757 0.690) 1.979 6.274 ( -0.595 1.757 0.690) 1.979 6.752 ( 3.084 -4.446 0.925) 5.490 6.752 ( 3.084 4.446 0.925) 5.490 6.909 ( 2.033 -9.683 -4.192) 10.746 6.909 ( 2.033 9.683 -4.192) 10.746 7.086 ( -9.084 -1.036 3.104) 9.655 7.086 ( -9.084 1.036 3.104) 9.655 7.445 ( -3.675 -2.338 -1.070) 4.485 7.445 ( -3.675 2.338 -1.070) 4.485 8.264 ( -4.167 -3.947 -2.987) 6.471 8.264 ( -4.167 3.947 -2.987) 6.471 8.705 ( -2.315 -5.146 1.167) 5.763 8.705 ( -2.315 5.146 1.167) 5.763 9.236 ( -0.011 -4.727 0.130) 4.729 9.236 ( -0.011 4.727 0.130) 4.729 9.473 ( -2.496 -0.414 -1.777) 3.091 9.473 ( -2.496 0.414 -1.777) 3.091 9.778 ( -0.360 -4.832 0.348) 4.858 9.778 ( -0.360 4.832 0.348) 4.858 10.089 ( 3.217 -5.426 2.410) 6.753 10.089 ( 3.217 5.426 2.410) 6.753 10.439 ( 1.291 -3.540 -0.262) 3.777 10.439 ( 1.291 3.540 -0.262) 3.777 10.699 ( -3.213 -2.734 3.823) 5.693 10.699 ( -3.213 2.734 3.823) 5.693 10.810 ( -2.306 -0.131 -6.090) 6.513 10.810 ( -2.306 0.131 -6.090) 6.513 11.429 ( -0.644 -8.140 1.853) 8.373 11.429 ( -0.644 8.140 1.853) 8.373 11.578 ( -1.258 -2.167 -0.319) 2.526 11.578 ( -1.258 2.167 -0.319) 2.526 12.152 ( 0.254 -2.913 0.863) 3.049 12.152 ( 0.254 2.913 0.863) 3.049 13.109 ( 1.158 -2.084 0.083) 2.386 13.109 ( 1.158 2.084 0.083) 2.386 13.280 ( 1.952 -2.951 -0.032) 3.538 13.280 ( 1.952 2.951 -0.032) 3.538 14.274 ( -0.968 -1.404 -2.069) 2.681 14.274 ( -0.968 1.404 -2.069) 2.681 14.496 ( -0.016 -3.415 1.373) 3.680 14.496 ( -0.016 3.415 1.373) 3.680 15.193 ( 3.351 -0.911 -0.056) 3.473 15.193 ( 3.351 0.911 -0.056) 3.473 15.433 ( -4.046 -2.159 0.096) 4.587 15.433 ( -4.046 2.159 0.096) 4.587 15.906 ( -2.145 -1.811 -0.047) 2.808 15.906 ( -2.145 1.811 -0.047) 2.808 16.112 ( 0.129 -4.803 0.001) 4.805 16.112 ( 0.129 4.803 0.001) 4.805 16.307 ( 0.818 -3.909 -0.398) 4.014 16.307 ( 0.818 3.909 -0.398) 4.014 16.673 ( 2.157 -1.837 2.205) 3.590 16.673 ( 2.157 1.837 2.205) 3.590 16.983 ( 0.751 -4.504 -0.804) 4.637 16.983 ( 0.751 4.504 -0.804) 4.637 17.104 ( -0.288 -5.255 -1.654) 5.516 17.104 ( -0.288 5.255 -1.654) 5.516 17.883 ( -0.164 -2.494 0.369) 2.527 17.883 ( -0.164 2.494 0.369) 2.527 18.146 ( -1.289 -3.368 0.526) 3.645 18.146 ( -1.289 3.368 0.526) 3.645 21.732 ( -1.421 -2.737 0.282) 3.097 21.732 ( -1.421 2.737 0.282) 3.097 21.862 ( -0.680 -2.445 -0.083) 2.539 21.862 ( -0.680 2.445 -0.083) 2.539 27.587 ( -3.701 -0.394 -3.013) 4.788 27.587 ( -3.701 0.394 -3.013) 4.788 27.728 ( -3.050 -0.489 3.044) 4.337 27.728 ( -3.050 0.489 3.044) 4.337 29.243 ( 0.530 -0.248 0.020) 0.585 29.243 ( 0.530 0.248 0.020) 0.585 29.340 ( -0.964 -0.114 -0.075) 0.974 29.340 ( -0.964 0.114 -0.075) 0.974 30.282 ( 0.439 -1.440 -0.905) 1.756 30.282 ( 0.439 1.440 -0.905) 1.756 30.453 ( -3.965 -1.199 0.647) 4.192 30.453 ( -3.965 1.199 0.647) 4.192 31.674 ( 3.714 -2.237 0.523) 4.367 31.674 ( 3.714 2.237 0.523) 4.367 31.870 ( -0.601 -2.396 -0.123) 2.473 31.870 ( -0.601 2.396 -0.123) 2.473 32.229 ( 2.835 -1.205 -2.388) 3.898 32.229 ( 2.835 1.205 -2.388) 3.898 32.599 ( 2.626 -5.243 3.989) 7.092 32.599 ( 2.626 5.243 3.989) 7.092 33.377 ( 6.131 -11.677 -6.509) 14.707 33.377 ( 6.131 11.677 -6.509) 14.707 33.673 ( 8.249 -13.938 4.201) 16.732 33.673 ( 8.249 13.938 4.201) 16.732 34.111 ( -6.437 -4.014 1.084) 7.663 34.111 ( -6.437 4.014 1.084) 7.663 34.495 ( -2.036 -9.969 -0.648) 10.196 34.495 ( -2.036 9.969 -0.648) 10.196 ======================= Grid point 43 (24/88) ======================= q-point: (-0.50 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 44 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.501 ( 0.000 -2.537 0.000) 2.537 2.501 ( 0.000 2.537 0.000) 2.537 2.572 ( 0.000 -8.168 0.000) 8.168 2.572 ( 0.000 8.168 0.000) 8.168 2.839 ( 0.000 -5.657 -0.000) 5.657 2.839 ( 0.000 5.657 0.000) 5.657 3.053 ( 0.000 -0.287 0.000) 0.287 3.053 ( 0.000 0.287 -0.000) 0.287 3.186 ( 0.000 -1.501 0.000) 1.501 3.186 ( 0.000 1.501 0.000) 1.501 3.328 ( 0.000 -0.061 0.000) 0.061 3.328 ( 0.000 0.061 0.000) 0.061 3.556 ( 0.000 -14.076 -0.000) 14.076 3.556 ( 0.000 14.076 -0.000) 14.076 3.719 ( -0.000 -1.512 0.000) 1.512 3.719 ( 0.000 1.512 0.000) 1.512 3.914 ( -0.000 -4.465 0.000) 4.465 3.914 ( 0.000 4.465 0.000) 4.465 4.164 ( 0.000 -12.758 0.000) 12.758 4.164 ( 0.000 12.758 0.000) 12.758 4.349 ( 0.000 -9.386 0.000) 9.386 4.349 ( 0.000 9.386 0.000) 9.386 4.606 ( 0.000 -4.720 -0.000) 4.720 4.606 ( 0.000 4.720 -0.000) 4.720 4.953 ( 0.000 -5.519 0.000) 5.519 4.953 ( 0.000 5.519 0.000) 5.519 5.061 ( 0.000 -3.514 -0.000) 3.514 5.061 ( 0.000 3.514 -0.000) 3.514 5.247 ( 0.000 -2.517 0.000) 2.517 5.247 ( 0.000 2.517 -0.000) 2.517 5.507 ( 0.000 -2.368 0.000) 2.368 5.507 ( 0.000 2.368 0.000) 2.368 5.579 ( -0.000 -0.791 0.000) 0.791 5.579 ( 0.000 0.791 0.000) 0.791 5.740 ( 0.000 -6.753 -0.000) 6.753 5.740 ( 0.000 6.753 0.000) 6.753 5.905 ( 0.000 -2.864 0.000) 2.864 5.905 ( 0.000 2.864 -0.000) 2.864 6.278 ( 0.000 -2.152 0.000) 2.152 6.278 ( 0.000 2.152 -0.000) 2.152 6.782 ( 0.000 -7.213 0.000) 7.213 6.782 ( 0.000 7.213 -0.000) 7.213 6.951 ( -0.000 -2.713 0.000) 2.713 6.951 ( 0.000 2.713 -0.000) 2.713 6.965 ( -0.000 -10.402 0.000) 10.402 6.965 ( 0.000 10.402 -0.000) 10.402 7.407 ( 0.000 -1.529 0.000) 1.529 7.407 ( 0.000 1.529 -0.000) 1.529 8.215 ( 0.000 -1.744 0.000) 1.744 8.215 ( 0.000 1.744 -0.000) 1.744 8.688 ( 0.000 -4.339 0.000) 4.339 8.688 ( 0.000 4.339 0.000) 4.339 9.236 ( 0.000 -5.368 0.000) 5.368 9.236 ( 0.000 5.368 0.000) 5.368 9.440 ( 0.000 -0.688 0.000) 0.688 9.440 ( 0.000 0.688 0.000) 0.688 9.774 ( 0.000 -7.016 -0.000) 7.016 9.774 ( 0.000 7.016 0.000) 7.016 10.133 ( 0.000 -5.148 -0.000) 5.148 10.133 ( 0.000 5.148 0.000) 5.148 10.449 ( 0.000 -3.039 -0.000) 3.039 10.449 ( 0.000 3.039 -0.000) 3.039 10.703 ( 0.000 -0.958 -0.000) 0.958 10.703 ( 0.000 0.958 0.000) 0.958 10.743 ( 0.000 -1.206 -0.000) 1.206 10.743 ( 0.000 1.206 -0.000) 1.206 11.429 ( 0.000 -9.715 0.000) 9.715 11.429 ( 0.000 9.715 0.000) 9.715 11.564 ( 0.000 -1.616 0.000) 1.616 11.564 ( 0.000 1.616 -0.000) 1.616 12.158 ( 0.000 -3.060 0.000) 3.060 12.158 ( 0.000 3.060 0.000) 3.060 13.120 ( 0.000 -1.166 0.000) 1.166 13.120 ( 0.000 1.166 0.000) 1.166 13.298 ( 0.000 -2.669 0.000) 2.669 13.298 ( 0.000 2.669 0.000) 2.669 14.257 ( 0.000 -1.134 0.000) 1.134 14.257 ( 0.000 1.134 -0.000) 1.134 14.501 ( 0.000 -3.520 0.000) 3.520 14.501 ( 0.000 3.520 0.000) 3.520 15.240 ( -0.000 -0.816 0.000) 0.816 15.240 ( 0.000 0.816 0.000) 0.816 15.379 ( 0.000 -2.344 0.000) 2.344 15.379 ( 0.000 2.344 0.000) 2.344 15.887 ( 0.000 -0.613 0.000) 0.613 15.887 ( 0.000 0.613 0.000) 0.613 16.114 ( 0.000 -4.887 0.000) 4.887 16.114 ( 0.000 4.887 0.000) 4.887 16.314 ( 0.000 -1.475 0.000) 1.475 16.314 ( 0.000 1.475 0.000) 1.475 16.706 ( 0.000 -3.042 -0.000) 3.042 16.706 ( 0.000 3.042 0.000) 3.042 16.978 ( 0.000 -2.880 0.000) 2.880 16.978 ( 0.000 2.880 -0.000) 2.880 17.100 ( 0.000 -6.132 0.000) 6.132 17.100 ( 0.000 6.132 0.000) 6.132 17.883 ( 0.000 -2.276 0.000) 2.276 17.883 ( 0.000 2.276 0.000) 2.276 18.135 ( 0.000 -3.503 0.000) 3.503 18.135 ( 0.000 3.503 0.000) 3.503 21.719 ( 0.000 -0.888 0.000) 0.888 21.719 ( 0.000 0.888 0.000) 0.888 21.856 ( 0.000 -0.702 0.000) 0.702 21.856 ( 0.000 0.702 -0.000) 0.702 27.533 ( 0.000 -0.409 0.000) 0.409 27.533 ( 0.000 0.409 0.000) 0.409 27.719 ( 0.000 -0.668 0.000) 0.668 27.719 ( 0.000 0.668 0.000) 0.668 29.248 ( 0.000 -0.046 0.000) 0.046 29.248 ( 0.000 0.046 0.000) 0.046 29.332 ( 0.000 -0.028 0.000) 0.028 29.332 ( 0.000 0.028 0.000) 0.028 30.282 ( 0.000 -1.512 -0.000) 1.512 30.282 ( 0.000 1.512 0.000) 1.512 30.419 ( 0.000 -1.010 0.000) 1.010 30.419 ( 0.000 1.010 -0.000) 1.010 31.716 ( 0.000 -0.344 0.000) 0.344 31.716 ( 0.000 0.344 0.000) 0.344 31.858 ( 0.000 -2.188 0.000) 2.188 31.858 ( 0.000 2.188 0.000) 2.188 32.249 ( 0.000 -1.194 0.000) 1.194 32.249 ( 0.000 1.194 0.000) 1.194 32.637 ( 0.000 -0.939 0.000) 0.939 32.637 ( 0.000 0.939 0.000) 0.939 33.409 ( 0.000 -12.740 0.000) 12.740 33.409 ( 0.000 12.740 0.000) 12.740 33.783 ( 0.000 -18.618 0.000) 18.618 33.783 ( 0.000 18.618 0.000) 18.618 34.037 ( 0.000 -6.966 0.000) 6.966 34.037 ( -0.000 6.966 -0.000) 6.966 34.476 ( 0.000 -11.272 0.000) 11.272 34.476 ( 0.000 11.272 -0.000) 11.272 ======================= Grid point 77 (25/88) ======================= q-point: ( 0.00 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.637 ( -6.362 0.000 31.759) 32.390 0.718 ( 0.886 0.000 35.518) 35.529 1.053 ( -1.448 0.000 50.928) 50.949 1.690 ( 4.242 0.000 -16.599) 17.133 1.856 ( -1.265 0.000 -17.455) 17.500 2.481 ( 14.404 0.000 -17.732) 22.845 2.545 ( 3.593 0.000 2.682) 4.483 2.787 ( 3.102 0.000 6.774) 7.450 2.806 ( -6.560 0.000 -8.210) 10.509 2.856 ( 0.893 0.000 2.907) 3.041 3.026 ( -7.308 0.000 -6.329) 9.668 3.133 ( -1.174 0.000 -6.211) 6.321 3.267 ( -5.376 0.000 0.355) 5.388 3.446 ( -0.097 0.000 -6.827) 6.828 3.565 ( 2.203 0.000 14.011) 14.183 3.646 ( 3.912 0.000 4.963) 6.320 3.785 ( -1.990 0.000 8.609) 8.836 3.788 ( 1.383 0.000 3.228) 3.512 3.922 ( -0.805 0.000 -2.036) 2.189 3.927 ( 0.071 0.000 0.181) 0.195 4.003 ( -1.069 0.000 -0.287) 1.107 4.128 ( -0.143 0.000 3.632) 3.635 4.321 ( -0.995 0.000 -9.529) 9.580 4.507 ( -3.018 0.000 -9.324) 9.800 4.637 ( -14.163 0.000 1.378) 14.230 4.719 ( 34.278 0.000 3.849) 34.493 4.875 ( 7.692 0.000 4.263) 8.794 4.932 ( -1.348 0.000 1.521) 2.033 5.022 ( 5.023 0.000 0.195) 5.027 5.036 ( -0.849 0.000 0.911) 1.245 5.047 ( -4.111 0.000 0.241) 4.118 5.223 ( 2.808 0.000 3.351) 4.372 5.273 ( 4.707 0.000 -9.835) 10.904 5.473 ( -9.294 0.000 5.966) 11.044 5.518 ( 0.626 0.000 -0.413) 0.750 5.779 ( 7.301 0.000 -5.594) 9.198 5.952 ( -11.981 0.000 -1.781) 12.113 6.009 ( -4.598 0.000 -8.351) 9.533 6.139 ( 1.077 0.000 2.289) 2.530 6.217 ( 0.945 0.000 -3.146) 3.285 6.414 ( -1.609 0.000 1.328) 2.086 6.414 ( -0.835 0.000 2.830) 2.951 7.028 ( 2.152 0.000 3.432) 4.051 7.092 ( 1.955 0.000 0.340) 1.985 7.704 ( -0.188 0.000 4.261) 4.265 7.867 ( 0.299 0.000 -3.355) 3.369 8.250 ( 0.526 0.000 3.529) 3.568 8.358 ( 2.120 0.000 -2.225) 3.073 8.722 ( 5.137 0.000 4.578) 6.881 8.991 ( -7.109 0.000 -5.444) 8.954 9.108 ( -10.998 0.000 -2.291) 11.234 9.108 ( -2.743 0.000 3.724) 4.625 9.244 ( 4.653 0.000 -7.198) 8.571 9.319 ( 5.532 0.000 2.777) 6.190 9.547 ( 7.057 0.000 -6.676) 9.715 9.612 ( -6.358 0.000 8.402) 10.537 9.701 ( 1.904 0.000 -7.383) 7.625 9.862 ( 21.350 0.000 -0.275) 21.352 10.230 ( 14.133 0.000 7.016) 15.779 10.281 ( -7.532 0.000 11.242) 13.532 10.592 ( -3.618 0.000 4.106) 5.473 10.656 ( -10.061 0.000 -8.354) 13.078 10.893 ( 1.135 0.000 -6.286) 6.388 10.970 ( 8.182 0.000 -2.829) 8.657 11.062 ( 4.362 0.000 0.575) 4.400 11.203 ( -8.968 0.000 -3.745) 9.719 11.451 ( 6.381 0.000 4.537) 7.830 11.491 ( -15.927 0.000 2.836) 16.177 11.711 ( 1.394 0.000 0.376) 1.444 11.760 ( -2.006 0.000 -1.861) 2.736 12.002 ( 1.574 0.000 1.528) 2.194 12.037 ( -0.920 0.000 -0.145) 0.931 12.439 ( -2.146 0.000 1.386) 2.555 12.555 ( 9.336 0.000 -3.910) 10.122 12.778 ( 1.693 0.000 3.449) 3.842 12.891 ( -0.154 0.000 -1.685) 1.692 14.350 ( -0.490 0.000 -0.008) 0.490 14.365 ( -0.017 0.000 -0.451) 0.451 14.390 ( 2.333 0.000 1.663) 2.865 14.444 ( -1.905 0.000 -0.661) 2.016 15.420 ( 7.427 0.000 1.497) 7.576 15.510 ( -6.686 0.000 4.463) 8.039 15.553 ( -3.729 0.000 -4.080) 5.528 15.695 ( 9.369 0.000 -2.165) 9.615 15.714 ( -0.932 0.000 4.157) 4.261 15.906 ( -2.187 0.000 -2.530) 3.344 15.952 ( 2.661 0.000 -0.285) 2.676 15.973 ( -4.885 0.000 0.971) 4.980 15.973 ( 0.351 0.000 -1.867) 1.899 16.055 ( 3.250 0.000 -3.557) 4.818 16.553 ( -45.371 0.000 3.761) 45.527 16.730 ( 4.819 0.000 -3.611) 6.021 16.862 ( 16.890 0.000 3.549) 17.259 17.000 ( -2.093 0.000 3.174) 3.802 17.005 ( -5.602 0.000 -1.243) 5.739 17.107 ( 3.269 0.000 -2.357) 4.030 18.028 ( -2.681 0.000 2.089) 3.399 18.175 ( 1.939 0.000 -3.702) 4.179 18.487 ( -3.812 0.000 2.218) 4.410 18.566 ( -0.178 0.000 -0.896) 0.913 21.466 ( -1.139 0.000 1.117) 1.595 21.528 ( 4.760 0.000 -1.353) 4.949 22.022 ( 1.211 0.000 0.571) 1.339 22.045 ( -1.074 0.000 -0.345) 1.128 27.688 ( 1.076 0.000 5.849) 5.947 27.978 ( -1.413 0.000 -4.760) 4.965 28.217 ( -0.655 0.000 -0.128) 0.667 28.225 ( 0.369 0.000 -1.625) 1.667 29.198 ( 0.118 0.000 0.912) 0.920 29.256 ( 0.396 0.000 -1.407) 1.462 29.404 ( -0.730 0.000 1.290) 1.482 29.504 ( -2.218 0.000 -2.744) 3.528 30.266 ( 0.506 0.000 6.440) 6.460 30.556 ( 6.657 0.000 -5.551) 8.667 30.735 ( -0.410 0.000 1.782) 1.828 30.798 ( 1.740 0.000 -0.537) 1.821 31.299 ( -1.067 0.000 2.733) 2.934 31.426 ( 0.960 0.000 -2.357) 2.545 31.863 ( 1.980 0.000 0.313) 2.004 31.899 ( -2.793 0.000 -1.172) 3.029 31.901 ( -2.841 0.000 1.444) 3.187 31.962 ( 5.357 0.000 -0.554) 5.386 32.061 ( 5.337 0.000 -0.054) 5.337 32.069 ( -22.049 0.000 -0.990) 22.071 32.579 ( 1.896 0.000 4.397) 4.788 32.763 ( -0.801 0.000 -3.164) 3.264 33.554 ( 0.050 0.000 0.316) 0.320 33.574 ( -0.269 0.000 -0.491) 0.560 34.284 ( 13.836 0.000 0.707) 13.854 34.321 ( -3.118 0.000 -0.777) 3.214 34.560 ( 1.572 0.000 1.373) 2.087 34.622 ( -9.603 0.000 -1.135) 9.670 ======================= Grid point 78 (26/88) ======================= q-point: ( 0.10 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.009 ( 18.250 0.000 21.401) 28.126 1.180 ( 18.714 0.000 26.268) 32.252 1.659 ( 19.057 0.000 12.310) 22.687 1.776 ( 6.160 0.000 -24.543) 25.304 1.803 ( 24.730 0.000 -0.302) 24.732 2.665 ( 1.594 0.000 -6.272) 6.471 2.693 ( 22.224 0.000 -19.062) 29.279 2.705 ( 7.931 0.000 3.619) 8.717 2.927 ( 5.392 0.000 4.603) 7.090 2.930 ( 0.536 0.000 -3.646) 3.685 2.988 ( 8.177 0.000 9.132) 12.258 3.065 ( 1.177 0.000 -8.779) 8.857 3.205 ( 0.349 0.000 5.263) 5.274 3.409 ( 0.825 0.000 -2.898) 3.013 3.664 ( -9.653 0.000 6.424) 11.595 3.707 ( 3.391 0.000 -1.683) 3.786 3.767 ( 2.857 0.000 5.133) 5.875 3.854 ( 1.083 0.000 4.235) 4.372 3.938 ( -5.348 0.000 -1.673) 5.604 3.961 ( 5.374 0.000 2.068) 5.758 4.007 ( 6.632 0.000 8.964) 11.151 4.172 ( 1.679 0.000 10.229) 10.366 4.282 ( -15.105 0.000 -4.059) 15.641 4.289 ( 3.734 0.000 -12.650) 13.190 4.400 ( -1.647 0.000 -15.498) 15.585 4.724 ( -14.300 0.000 3.538) 14.731 4.958 ( -3.096 0.000 5.020) 5.898 4.973 ( 2.844 0.000 5.397) 6.101 5.065 ( 1.997 0.000 2.243) 3.003 5.125 ( 6.196 0.000 -6.030) 8.646 5.153 ( 4.960 0.000 4.164) 6.476 5.168 ( -3.123 0.000 -11.344) 11.766 5.426 ( 9.996 0.000 -5.653) 11.484 5.500 ( 9.531 0.000 -3.513) 10.158 5.603 ( 4.781 0.000 1.280) 4.950 5.774 ( -5.644 0.000 1.324) 5.798 5.855 ( -5.932 0.000 -3.411) 6.843 5.969 ( 11.452 0.000 -1.282) 11.523 6.146 ( -1.557 0.000 3.735) 4.046 6.237 ( 3.664 0.000 -5.610) 6.700 6.467 ( 2.024 0.000 5.296) 5.670 6.473 ( 5.607 0.000 3.142) 6.427 7.081 ( -1.035 0.000 -3.974) 4.107 7.089 ( 1.424 0.000 2.895) 3.226 7.682 ( -5.452 0.000 3.943) 6.729 7.763 ( -8.935 0.000 -3.491) 9.592 8.245 ( -2.540 0.000 1.743) 3.080 8.286 ( -7.197 0.000 -3.729) 8.106 8.773 ( -6.487 0.000 10.638) 12.460 8.790 ( -7.541 0.000 -11.663) 13.889 8.893 ( -9.901 0.000 0.213) 9.904 9.177 ( 5.276 0.000 3.997) 6.619 9.260 ( 1.879 0.000 -5.807) 6.103 9.405 ( 1.543 0.000 -0.245) 1.562 9.470 ( -4.754 0.000 -0.370) 4.769 9.513 ( -9.679 0.000 6.149) 11.467 9.666 ( 1.706 0.000 -9.863) 10.009 10.016 ( 4.554 0.000 -8.114) 9.304 10.206 ( -9.828 0.000 11.782) 15.343 10.397 ( -5.974 0.000 -12.794) 14.120 10.514 ( -7.978 0.000 12.015) 14.422 10.648 ( 13.014 0.000 6.156) 14.396 10.793 ( -4.572 0.000 -3.537) 5.781 11.049 ( -1.855 0.000 -9.327) 9.510 11.062 ( 5.582 0.000 -5.065) 7.537 11.246 ( 8.444 0.000 7.969) 11.610 11.297 ( -6.989 0.000 2.131) 7.307 11.602 ( 4.480 0.000 5.616) 7.184 11.713 ( -1.097 0.000 -1.832) 2.135 11.754 ( 2.327 0.000 1.630) 2.841 12.020 ( 0.084 0.000 -1.613) 1.616 12.025 ( -0.774 0.000 1.314) 1.525 12.442 ( 1.829 0.000 0.279) 1.850 12.680 ( 8.195 0.000 -7.370) 11.021 12.820 ( -0.361 0.000 1.802) 1.838 12.858 ( -1.130 0.000 -2.264) 2.530 14.342 ( -0.581 0.000 0.711) 0.919 14.351 ( -1.045 0.000 -0.612) 1.211 14.398 ( -1.644 0.000 -1.983) 2.575 14.446 ( 1.867 0.000 2.372) 3.018 15.390 ( -8.223 0.000 4.980) 9.614 15.396 ( -9.038 0.000 -1.303) 9.131 15.562 ( -14.115 0.000 6.124) 15.386 15.572 ( 6.135 0.000 1.391) 6.291 15.732 ( -1.262 0.000 5.328) 5.476 15.892 ( -3.989 0.000 0.088) 3.990 15.900 ( 5.031 0.000 -4.157) 6.526 15.983 ( 0.768 0.000 -1.400) 1.597 16.011 ( 3.881 0.000 -1.322) 4.100 16.086 ( 1.283 0.000 2.221) 2.565 16.196 ( -3.774 0.000 9.551) 10.270 16.652 ( -8.418 0.000 -5.223) 9.907 16.952 ( -2.973 0.000 1.625) 3.388 17.006 ( 5.626 0.000 0.987) 5.712 17.152 ( 8.240 0.000 2.545) 8.624 17.171 ( 4.241 0.000 -1.250) 4.422 18.039 ( 2.265 0.000 0.609) 2.346 18.187 ( 1.601 0.000 -3.039) 3.435 18.466 ( -2.604 0.000 2.631) 3.702 18.529 ( -2.622 0.000 -0.481) 2.666 21.456 ( -0.363 0.000 0.169) 0.401 21.540 ( -0.362 0.000 -0.025) 0.363 21.994 ( -2.965 0.000 -1.547) 3.344 22.026 ( -1.453 0.000 0.997) 1.762 27.741 ( -1.155 0.000 7.745) 7.830 27.864 ( -5.293 0.000 -6.910) 8.704 28.008 ( -14.479 0.000 9.729) 17.444 28.130 ( -8.975 0.000 -3.332) 9.574 29.215 ( 0.815 0.000 1.102) 1.371 29.251 ( 0.356 0.000 -1.880) 1.913 29.392 ( -1.743 0.000 1.533) 2.321 29.409 ( -4.238 0.000 1.558) 4.516 30.291 ( -2.377 0.000 4.704) 5.270 30.383 ( -9.200 0.000 -0.415) 9.209 30.703 ( -3.020 0.000 2.062) 3.657 30.738 ( -4.723 0.000 -1.708) 5.023 31.319 ( 0.983 0.000 2.710) 2.882 31.445 ( 3.025 0.000 -2.138) 3.705 31.852 ( 3.204 0.000 4.697) 5.685 31.896 ( 1.886 0.000 0.525) 1.958 31.924 ( 1.390 0.000 0.013) 1.390 31.933 ( 3.902 0.000 -0.183) 3.907 32.216 ( 7.095 0.000 -10.583) 12.741 32.335 ( 18.745 0.000 6.779) 19.933 32.734 ( 9.820 0.000 2.436) 10.118 32.749 ( 2.118 0.000 -4.740) 5.192 33.573 ( 1.116 0.000 0.784) 1.364 33.578 ( 1.170 0.000 -0.146) 1.179 34.198 ( -7.542 0.000 -2.929) 8.091 34.465 ( 2.648 0.000 -1.766) 3.183 34.624 ( 2.840 0.000 4.742) 5.528 34.626 ( 8.885 0.000 -10.265) 13.576 ======================= Grid point 79 (27/88) ======================= q-point: ( 0.20 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.491 ( 19.100 0.000 2.357) 19.245 1.693 ( 17.556 0.000 15.733) 23.574 1.755 ( 13.953 0.000 -14.212) 19.916 1.959 ( 22.065 0.000 -11.373) 24.824 2.370 ( 18.561 0.000 3.694) 18.925 2.673 ( 2.652 0.000 -3.198) 4.155 2.803 ( 2.725 0.000 4.662) 5.400 2.909 ( 1.360 0.000 2.934) 3.234 3.014 ( -3.894 0.000 1.741) 4.266 3.023 ( 14.179 0.000 -11.222) 18.082 3.120 ( 9.957 0.000 -7.365) 12.385 3.189 ( 14.525 0.000 7.622) 16.403 3.516 ( 15.227 0.000 -6.235) 16.454 3.556 ( 8.256 0.000 8.064) 11.541 3.580 ( 7.280 0.000 16.098) 17.668 3.673 ( -2.288 0.000 -6.251) 6.657 3.708 ( -7.542 0.000 -3.830) 8.459 3.875 ( 4.483 0.000 2.121) 4.959 3.910 ( -0.604 0.000 0.348) 0.697 4.058 ( -4.714 0.000 -4.348) 6.413 4.070 ( 4.489 0.000 -0.548) 4.522 4.236 ( 5.658 0.000 3.137) 6.470 4.255 ( -0.243 0.000 -1.983) 1.998 4.287 ( 4.546 0.000 1.091) 4.675 4.316 ( 5.965 0.000 -8.406) 10.307 4.513 ( -8.291 0.000 1.892) 8.504 4.882 ( -5.303 0.000 -0.909) 5.380 5.024 ( -3.981 0.000 -3.074) 5.030 5.034 ( 2.237 0.000 -5.649) 6.075 5.146 ( 4.304 0.000 -2.258) 4.860 5.188 ( 1.610 0.000 -1.085) 1.942 5.258 ( 8.184 0.000 2.482) 8.552 5.581 ( 6.629 0.000 3.257) 7.386 5.651 ( 2.896 0.000 -8.262) 8.755 5.675 ( 8.165 0.000 -0.185) 8.167 5.738 ( 0.040 0.000 2.426) 2.426 5.785 ( -1.234 0.000 5.517) 5.654 6.085 ( 0.356 0.000 3.582) 3.600 6.182 ( 2.724 0.000 3.845) 4.712 6.284 ( 5.313 0.000 -3.867) 6.572 6.559 ( 2.418 0.000 7.564) 7.941 6.626 ( 5.410 0.000 6.265) 8.277 7.019 ( -1.217 0.000 -5.496) 5.630 7.115 ( -0.165 0.000 0.199) 0.259 7.513 ( -13.359 0.000 -3.176) 13.731 7.563 ( -9.072 0.000 1.772) 9.244 8.075 ( -11.607 0.000 -1.494) 11.702 8.188 ( -4.133 0.000 -1.366) 4.353 8.534 ( -9.124 0.000 -13.063) 15.934 8.681 ( -8.791 0.000 7.388) 11.483 8.694 ( -11.502 0.000 0.872) 11.535 9.223 ( -0.996 0.000 -5.701) 5.788 9.256 ( -6.044 0.000 5.306) 8.043 9.340 ( -2.220 0.000 -4.163) 4.718 9.443 ( 1.775 0.000 7.063) 7.283 9.466 ( -1.806 0.000 4.853) 5.178 9.617 ( 1.526 0.000 -10.839) 10.946 9.996 ( 0.352 0.000 -8.112) 8.120 10.085 ( -9.627 0.000 8.327) 12.728 10.293 ( 1.976 0.000 -7.265) 7.529 10.448 ( -7.158 0.000 10.339) 12.575 10.710 ( -1.205 0.000 1.416) 1.859 10.869 ( 3.009 0.000 10.453) 10.877 10.975 ( 2.520 0.000 -13.543) 13.775 11.103 ( 2.427 0.000 -5.239) 5.773 11.204 ( -4.157 0.000 -0.689) 4.213 11.430 ( 3.730 0.000 7.532) 8.405 11.659 ( -0.206 0.000 -0.220) 0.302 11.705 ( -0.307 0.000 0.702) 0.767 11.819 ( 2.799 0.000 2.192) 3.555 12.005 ( -1.169 0.000 1.106) 1.609 12.013 ( 0.857 0.000 -2.985) 3.106 12.506 ( 4.389 0.000 0.295) 4.399 12.760 ( 4.736 0.000 -5.610) 7.342 12.813 ( -0.013 0.000 0.861) 0.861 12.842 ( 0.996 0.000 -0.437) 1.088 14.319 ( -1.318 0.000 -1.397) 1.921 14.341 ( -0.214 0.000 0.991) 1.014 14.359 ( -0.971 0.000 -1.421) 1.721 14.491 ( 0.974 0.000 2.123) 2.336 15.262 ( -4.689 0.000 0.412) 4.708 15.296 ( -4.645 0.000 3.338) 5.721 15.414 ( -6.328 0.000 2.704) 6.882 15.644 ( -0.061 0.000 0.552) 0.555 15.747 ( -2.158 0.000 5.949) 6.328 15.840 ( -0.030 0.000 -1.260) 1.260 15.958 ( -1.585 0.000 0.484) 1.658 15.966 ( 3.809 0.000 -3.959) 5.494 16.075 ( 4.085 0.000 -1.385) 4.313 16.161 ( 3.981 0.000 3.109) 5.051 16.249 ( 2.206 0.000 3.899) 4.480 16.471 ( -4.838 0.000 -5.789) 7.544 16.908 ( -2.300 0.000 0.861) 2.456 17.082 ( 1.515 0.000 -0.822) 1.723 17.257 ( 3.886 0.000 2.261) 4.496 17.271 ( 2.471 0.000 3.872) 4.594 18.096 ( 3.233 0.000 -0.204) 3.239 18.164 ( -1.319 0.000 -4.622) 4.807 18.416 ( -4.469 0.000 2.297) 5.025 18.484 ( -2.426 0.000 1.944) 3.109 21.462 ( 1.487 0.000 -0.785) 1.681 21.544 ( 0.382 0.000 1.061) 1.128 21.921 ( -2.919 0.000 -2.545) 3.873 21.988 ( -3.157 0.000 0.974) 3.303 27.698 ( -6.457 0.000 -6.270) 9.000 27.757 ( -3.231 0.000 7.011) 7.719 27.870 ( -12.044 0.000 -7.905) 14.406 27.876 ( -7.855 0.000 8.376) 11.483 29.241 ( 1.070 0.000 0.953) 1.433 29.243 ( 0.420 0.000 -1.874) 1.921 29.363 ( -2.016 0.000 0.474) 2.071 29.365 ( -2.203 0.000 1.839) 2.870 30.262 ( -3.433 0.000 -1.673) 3.819 30.284 ( -0.148 0.000 1.724) 1.730 30.616 ( -5.928 0.000 -3.338) 6.803 30.668 ( -3.246 0.000 3.071) 4.469 31.381 ( 3.444 0.000 2.526) 4.271 31.508 ( 5.000 0.000 -1.694) 5.279 31.946 ( 2.195 0.000 -1.036) 2.427 31.955 ( 0.955 0.000 0.887) 1.303 32.005 ( 8.286 0.000 4.002) 9.202 32.017 ( 5.902 0.000 0.546) 5.927 32.222 ( 1.805 0.000 -5.208) 5.512 32.723 ( 10.339 0.000 0.472) 10.350 32.763 ( 7.018 0.000 0.392) 7.029 32.925 ( 8.430 0.000 1.187) 8.513 33.612 ( 2.374 0.000 1.462) 2.788 33.628 ( 3.783 0.000 1.324) 4.008 34.031 ( -7.418 0.000 -1.562) 7.580 34.451 ( -2.796 0.000 -0.206) 2.803 34.678 ( 6.525 0.000 -12.693) 14.272 34.728 ( 2.110 0.000 8.536) 8.793 ======================= Grid point 80 (28/88) ======================= q-point: ( 0.30 0.00 -0.75) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.805 ( 22.126 0.000 -6.393) 23.031 2.063 ( 13.329 0.000 5.686) 14.492 2.093 ( 19.643 0.000 0.713) 19.656 2.339 ( 23.925 0.000 -6.451) 24.780 2.465 ( -0.703 0.000 -5.182) 5.230 2.727 ( 3.486 0.000 0.848) 3.588 2.919 ( -1.908 0.000 1.459) 2.402 2.936 ( -1.231 0.000 4.600) 4.762 3.002 ( 4.316 0.000 4.942) 6.561 3.136 ( 0.438 0.000 9.007) 9.017 3.239 ( 9.498 0.000 -9.409) 13.369 3.420 ( -9.496 0.000 -6.549) 11.536 3.437 ( 5.541 0.000 0.690) 5.584 3.541 ( -3.021 0.000 7.387) 7.981 3.544 ( -2.260 0.000 -4.157) 4.732 3.859 ( 0.179 0.000 -4.426) 4.429 3.870 ( -1.049 0.000 -3.416) 3.573 3.961 ( 5.080 0.000 3.938) 6.428 3.970 ( -1.593 0.000 -0.615) 1.707 4.106 ( 27.505 0.000 -2.446) 27.614 4.232 ( 0.675 0.000 4.259) 4.312 4.259 ( 3.269 0.000 -4.618) 5.658 4.332 ( 15.984 0.000 5.642) 16.950 4.354 ( 3.636 0.000 1.697) 4.013 4.428 ( 1.720 0.000 2.993) 3.452 4.468 ( 3.628 0.000 -2.608) 4.468 4.778 ( -2.022 0.000 -5.743) 6.088 4.981 ( -0.906 0.000 3.260) 3.384 4.987 ( -0.275 0.000 -6.712) 6.717 5.205 ( 5.659 0.000 -4.735) 7.379 5.254 ( 3.985 0.000 2.993) 4.984 5.447 ( 9.363 0.000 2.046) 9.584 5.624 ( 0.521 0.000 -3.693) 3.729 5.655 ( 0.208 0.000 0.863) 0.888 5.793 ( 5.716 0.000 -2.939) 6.428 5.795 ( 2.740 0.000 0.450) 2.776 5.838 ( 2.774 0.000 0.759) 2.875 6.101 ( -1.507 0.000 5.377) 5.584 6.301 ( 5.651 0.000 4.783) 7.403 6.345 ( 1.918 0.000 -0.172) 1.926 6.662 ( 1.560 0.000 7.979) 8.130 6.730 ( 0.684 0.000 5.004) 5.050 6.972 ( 1.269 0.000 -5.909) 6.044 7.084 ( -2.828 0.000 -1.125) 3.044 7.262 ( -9.675 0.000 -2.739) 10.056 7.391 ( -8.655 0.000 -1.336) 8.758 7.869 ( -10.015 0.000 2.544) 10.333 8.047 ( -8.231 0.000 -4.629) 9.443 8.285 ( -6.307 0.000 -11.251) 12.898 8.512 ( -10.025 0.000 7.231) 12.360 8.595 ( -5.501 0.000 5.548) 7.813 9.100 ( -7.235 0.000 -1.000) 7.304 9.184 ( -2.334 0.000 -0.761) 2.455 9.289 ( -0.734 0.000 -2.447) 2.554 9.442 ( -3.207 0.000 2.026) 3.793 9.530 ( -1.871 0.000 1.782) 2.584 9.594 ( 4.493 0.000 -3.269) 5.556 9.931 ( -0.230 0.000 -7.644) 7.648 10.011 ( -6.026 0.000 11.086) 12.618 10.321 ( 6.473 0.000 -6.453) 9.140 10.415 ( -3.280 0.000 6.707) 7.466 10.735 ( 1.896 0.000 0.737) 2.034 10.919 ( 1.094 0.000 -10.318) 10.376 10.967 ( -0.617 0.000 10.735) 10.753 11.049 ( -3.857 0.000 -6.168) 7.275 11.123 ( -3.800 0.000 -0.163) 3.804 11.488 ( -0.585 0.000 1.694) 1.792 11.643 ( -0.878 0.000 -0.952) 1.295 11.693 ( -0.206 0.000 0.045) 0.211 11.887 ( 2.742 0.000 1.655) 3.203 11.999 ( 0.219 0.000 -3.695) 3.701 12.015 ( 0.467 0.000 1.826) 1.885 12.596 ( 4.413 0.000 0.657) 4.462 12.756 ( -0.965 0.000 -0.672) 1.176 12.863 ( 4.628 0.000 -2.608) 5.313 12.880 ( 1.779 0.000 2.028) 2.698 14.290 ( -0.459 0.000 -1.536) 1.603 14.340 ( -0.553 0.000 0.106) 0.564 14.346 ( -0.018 0.000 0.628) 0.629 14.515 ( 0.296 0.000 1.155) 1.193 15.212 ( -0.232 0.000 -1.910) 1.924 15.267 ( -0.486 0.000 0.795) 0.932 15.343 ( -3.723 0.000 2.454) 4.459 15.588 ( -4.704 0.000 -1.209) 4.856 15.740 ( -2.405 0.000 5.609) 6.103 15.868 ( 2.489 0.000 -0.972) 2.672 15.906 ( -4.178 0.000 2.225) 4.734 16.010 ( 3.180 0.000 -3.548) 4.764 16.146 ( 4.004 0.000 -0.246) 4.012 16.263 ( 4.369 0.000 1.354) 4.574 16.318 ( 2.428 0.000 2.596) 3.555 16.391 ( -0.518 0.000 -2.882) 2.928 16.888 ( -0.583 0.000 1.148) 1.287 17.075 ( -0.179 0.000 -2.633) 2.640 17.316 ( -0.111 0.000 2.346) 2.348 17.319 ( 1.130 0.000 1.001) 1.509 18.087 ( -2.136 0.000 -4.742) 5.200 18.149 ( 2.477 0.000 -0.413) 2.511 18.344 ( -4.699 0.000 2.150) 5.167 18.459 ( -2.360 0.000 2.249) 3.260 21.505 ( 3.726 0.000 -0.887) 3.831 21.567 ( 0.849 0.000 1.455) 1.685 21.852 ( -2.091 0.000 -2.626) 3.357 21.925 ( -4.380 0.000 1.133) 4.524 27.545 ( -5.067 0.000 -3.954) 6.427 27.628 ( -6.909 0.000 -6.322) 9.365 27.727 ( -4.030 0.000 3.624) 5.420 27.810 ( -5.248 0.000 5.569) 7.652 29.241 ( 0.784 0.000 -1.339) 1.551 29.265 ( 0.790 0.000 0.407) 0.889 29.330 ( -1.460 0.000 -0.168) 1.469 29.345 ( -1.497 0.000 1.749) 2.302 30.216 ( -0.311 0.000 -1.550) 1.581 30.313 ( 1.895 0.000 0.604) 1.989 30.482 ( -5.493 0.000 -2.476) 6.025 30.617 ( -4.478 0.000 2.311) 5.039 31.483 ( 5.281 0.000 2.283) 5.753 31.598 ( 5.655 0.000 -1.484) 5.847 31.941 ( -3.015 0.000 0.085) 3.016 31.946 ( -0.459 0.000 -1.973) 2.026 32.174 ( 9.137 0.000 2.186) 9.395 32.195 ( 7.346 0.000 3.834) 8.286 32.241 ( 3.156 0.000 -0.042) 3.156 32.699 ( -1.366 0.000 -7.026) 7.158 32.993 ( 7.837 0.000 1.415) 7.963 33.054 ( 4.573 0.000 0.032) 4.573 33.688 ( 4.320 0.000 1.430) 4.550 33.726 ( 5.689 0.000 -2.219) 6.106 33.928 ( -4.497 0.000 6.303) 7.743 34.369 ( -4.810 0.000 -0.990) 4.910 34.703 ( 5.624 0.000 -10.087) 11.549 34.805 ( -0.914 0.000 7.696) 7.750 ======================= Grid point 81 (29/88) ======================= q-point: ( 0.40 0.00 -0.75) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.224 ( 20.321 0.000 2.933) 20.532 2.282 ( 6.461 0.000 0.735) 6.502 2.390 ( 11.708 0.000 -1.331) 11.783 2.425 ( 2.324 0.000 -0.750) 2.442 2.728 ( 19.298 0.000 -6.081) 20.233 2.753 ( -2.590 0.000 -1.216) 2.861 2.890 ( 1.235 0.000 0.528) 1.343 2.927 ( 0.969 0.000 1.160) 1.511 3.061 ( -4.263 0.000 7.395) 8.536 3.178 ( -5.503 0.000 2.866) 6.204 3.271 ( -1.533 0.000 1.789) 2.356 3.347 ( 5.634 0.000 1.648) 5.870 3.379 ( -10.047 0.000 -0.105) 10.048 3.507 ( 0.401 0.000 1.123) 1.193 3.611 ( 8.092 0.000 -3.372) 8.766 3.763 ( -5.369 0.000 -0.544) 5.396 3.821 ( -0.999 0.000 -1.904) 2.150 3.920 ( -2.088 0.000 -0.514) 2.150 4.063 ( 3.637 0.000 -1.761) 4.041 4.210 ( -5.896 0.000 4.176) 7.225 4.286 ( 0.929 0.000 -1.476) 1.744 4.412 ( -3.215 0.000 11.111) 11.567 4.412 ( 5.652 0.000 -6.787) 8.833 4.435 ( 1.738 0.000 -2.388) 2.953 4.516 ( 7.654 0.000 1.123) 7.736 4.751 ( 10.509 0.000 8.282) 13.380 4.784 ( 8.202 0.000 -6.124) 10.236 4.931 ( -3.964 0.000 0.341) 3.978 5.010 ( 1.700 0.000 2.799) 3.275 5.327 ( 12.080 0.000 -7.166) 14.045 5.365 ( 5.538 0.000 -0.165) 5.540 5.625 ( 3.243 0.000 -3.977) 5.132 5.633 ( 6.402 0.000 -2.088) 6.734 5.652 ( 2.851 0.000 -2.110) 3.547 5.791 ( 0.178 0.000 -6.019) 6.022 5.852 ( 3.491 0.000 -5.177) 6.244 5.896 ( 3.965 0.000 -1.413) 4.209 6.069 ( -6.825 0.000 2.687) 7.335 6.353 ( -1.578 0.000 3.096) 3.475 6.432 ( 2.490 0.000 8.135) 8.508 6.709 ( -1.582 0.000 4.652) 4.914 6.729 ( -4.064 0.000 2.546) 4.795 6.981 ( 4.270 0.000 -5.481) 6.948 6.997 ( -4.016 0.000 -2.259) 4.608 7.132 ( -3.806 0.000 -0.394) 3.826 7.236 ( -5.757 0.000 -3.139) 6.557 7.752 ( -5.249 0.000 4.951) 7.216 7.879 ( -4.353 0.000 -1.940) 4.765 8.146 ( -1.829 0.000 -4.550) 4.904 8.444 ( -4.995 0.000 11.937) 12.940 8.538 ( -4.488 0.000 2.139) 4.972 8.982 ( -3.981 0.000 -1.913) 4.417 9.157 ( -0.092 0.000 0.672) 0.678 9.271 ( 0.380 0.000 -1.229) 1.287 9.392 ( -2.829 0.000 0.310) 2.846 9.485 ( -0.366 0.000 -3.912) 3.929 9.630 ( -1.091 0.000 1.147) 1.583 9.882 ( 1.258 0.000 -7.526) 7.630 10.011 ( -4.143 0.000 12.721) 13.379 10.422 ( -0.292 0.000 3.647) 3.659 10.444 ( 10.732 0.000 -4.164) 11.512 10.738 ( 1.159 0.000 -9.088) 9.162 10.852 ( -5.069 0.000 -0.139) 5.071 10.888 ( -7.441 0.000 -5.039) 8.987 11.038 ( 1.872 0.000 7.758) 7.981 11.085 ( -1.547 0.000 4.430) 4.693 11.479 ( 1.031 0.000 -3.847) 3.983 11.597 ( -2.918 0.000 -2.603) 3.910 11.704 ( 0.591 0.000 1.424) 1.541 11.940 ( 1.936 0.000 -1.304) 2.334 11.967 ( -0.366 0.000 -2.132) 2.164 12.029 ( -0.228 0.000 0.755) 0.789 12.673 ( 2.987 0.000 0.882) 3.115 12.739 ( -0.619 0.000 0.581) 0.849 12.920 ( 0.113 0.000 2.815) 2.817 12.927 ( 3.661 0.000 -1.557) 3.979 14.282 ( 0.494 0.000 -0.698) 0.855 14.341 ( -0.055 0.000 1.713) 1.714 14.346 ( -0.237 0.000 -0.192) 0.305 14.519 ( -0.342 0.000 -0.304) 0.458 15.223 ( 2.882 0.000 -1.830) 3.414 15.277 ( 1.636 0.000 -1.574) 2.270 15.295 ( -3.220 0.000 1.313) 3.478 15.475 ( -5.098 0.000 -3.117) 5.976 15.753 ( -1.392 0.000 7.049) 7.186 15.844 ( -4.282 0.000 3.097) 5.285 15.898 ( 1.747 0.000 -1.358) 2.212 16.035 ( 2.257 0.000 -2.986) 3.743 16.213 ( 2.625 0.000 0.663) 2.707 16.323 ( 2.124 0.000 -1.741) 2.746 16.383 ( 1.965 0.000 2.903) 3.506 16.390 ( 1.061 0.000 0.160) 1.073 16.896 ( -0.067 0.000 1.852) 1.853 17.053 ( 0.244 0.000 -2.788) 2.798 17.309 ( -1.369 0.000 -0.065) 1.371 17.320 ( -0.317 0.000 -2.011) 2.035 18.040 ( -0.019 0.000 -1.216) 1.216 18.179 ( 0.921 0.000 -0.728) 1.174 18.285 ( -2.887 0.000 2.224) 3.644 18.426 ( -2.169 0.000 0.457) 2.216 21.582 ( 4.865 0.000 -0.956) 4.958 21.591 ( 0.195 0.000 1.718) 1.729 21.810 ( -0.295 0.000 -2.155) 2.175 21.842 ( -5.246 0.000 1.217) 5.385 27.466 ( -1.395 0.000 -0.524) 1.490 27.518 ( -1.672 0.000 -1.453) 2.215 27.668 ( -3.420 0.000 -0.265) 3.430 27.750 ( -4.271 0.000 1.822) 4.643 29.251 ( 0.985 0.000 -0.755) 1.241 29.275 ( 0.186 0.000 -0.296) 0.350 29.309 ( -0.673 0.000 0.068) 0.677 29.332 ( -1.168 0.000 1.237) 1.702 30.225 ( 1.732 0.000 0.207) 1.744 30.354 ( 2.258 0.000 -0.799) 2.395 30.387 ( -3.166 0.000 -0.204) 3.173 30.538 ( -4.932 0.000 0.654) 4.975 31.607 ( 5.996 0.000 1.726) 6.240 31.686 ( 4.520 0.000 -1.489) 4.759 31.854 ( -6.050 0.000 0.639) 6.084 31.914 ( -1.081 0.000 -1.797) 2.097 32.278 ( 3.205 0.000 -1.381) 3.490 32.364 ( 3.147 0.000 7.531) 8.162 32.367 ( 8.304 0.000 1.900) 8.518 32.598 ( -2.946 0.000 -5.516) 6.254 33.085 ( 2.821 0.000 -1.948) 3.428 33.102 ( 1.370 0.000 -1.320) 1.902 33.756 ( 1.595 0.000 -6.359) 6.556 33.772 ( 3.300 0.000 -0.691) 3.372 33.977 ( 0.550 0.000 12.229) 12.241 34.282 ( -3.330 0.000 0.044) 3.330 34.741 ( 5.373 0.000 -6.840) 8.698 34.806 ( -3.493 0.000 3.679) 5.073 ======================= Grid point 82 (30/88) ======================= q-point: (-0.50 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.344 ( 1.078 0.000 1.148) 1.575 2.405 ( -2.572 0.000 -1.114) 2.803 2.516 ( 4.616 0.000 1.895) 4.990 2.535 ( 0.127 0.000 5.229) 5.231 2.719 ( 4.313 0.000 -6.405) 7.722 2.848 ( -0.409 0.000 -4.129) 4.149 2.985 ( -5.232 0.000 6.384) 8.254 3.000 ( 0.699 0.000 4.408) 4.463 3.038 ( -1.886 0.000 -1.095) 2.181 3.080 ( 1.155 0.000 -2.691) 2.929 3.157 ( -3.846 0.000 -1.415) 4.098 3.247 ( -5.993 0.000 8.398) 10.317 3.422 ( 5.038 0.000 -3.400) 6.078 3.638 ( 3.794 0.000 13.284) 13.815 3.661 ( 2.035 0.000 -5.098) 5.489 3.745 ( 1.250 0.000 -0.678) 1.422 3.813 ( 1.081 0.000 1.745) 2.053 3.921 ( 4.206 0.000 -2.018) 4.665 4.065 ( -2.570 0.000 -3.202) 4.106 4.162 ( 0.098 0.000 4.311) 4.312 4.235 ( -4.970 0.000 2.025) 5.367 4.311 ( -3.405 0.000 -13.542) 13.963 4.438 ( -2.618 0.000 9.088) 9.457 4.552 ( 6.095 0.000 0.928) 6.165 4.628 ( 3.617 0.000 6.284) 7.250 4.824 ( -5.243 0.000 0.090) 5.244 4.875 ( 4.576 0.000 -1.610) 4.851 4.910 ( -0.930 0.000 7.809) 7.864 5.081 ( 1.770 0.000 4.360) 4.705 5.371 ( -3.097 0.000 -12.328) 12.711 5.445 ( 3.872 0.000 -8.307) 9.165 5.560 ( -1.432 0.000 -12.807) 12.887 5.649 ( -1.611 0.000 -1.789) 2.407 5.717 ( 5.088 0.000 0.983) 5.182 5.808 ( -5.012 0.000 -2.257) 5.496 5.840 ( -0.881 0.000 -4.697) 4.779 5.939 ( -1.815 0.000 -0.746) 1.962 5.971 ( 8.435 0.000 -5.808) 10.241 6.341 ( -3.970 0.000 7.401) 8.399 6.485 ( -10.443 0.000 16.787) 19.770 6.630 ( -1.614 0.000 -3.920) 4.240 6.726 ( 0.700 0.000 3.642) 3.709 6.949 ( 1.417 0.000 -3.854) 4.106 7.005 ( 1.679 0.000 -6.866) 7.068 7.101 ( 2.598 0.000 0.168) 2.603 7.142 ( -0.207 0.000 -4.424) 4.428 7.736 ( -1.345 0.000 5.715) 5.872 7.882 ( 3.145 0.000 0.878) 3.265 8.162 ( 4.479 0.000 4.322) 6.225 8.445 ( -4.475 0.000 -3.667) 5.785 8.500 ( -0.080 0.000 14.365) 14.365 8.916 ( -0.840 0.000 -3.909) 3.998 9.198 ( 2.508 0.000 3.164) 4.037 9.285 ( 1.546 0.000 -0.111) 1.550 9.344 ( -1.685 0.000 -1.611) 2.331 9.472 ( 2.016 0.000 -3.438) 3.986 9.580 ( -3.437 0.000 -1.354) 3.694 9.868 ( 3.241 0.000 -6.764) 7.500 10.041 ( -3.331 0.000 13.480) 13.886 10.447 ( 0.867 0.000 0.260) 0.905 10.634 ( 8.494 0.000 -0.385) 8.503 10.660 ( -3.082 0.000 -7.351) 7.971 10.722 ( -5.053 0.000 -4.145) 6.536 10.742 ( -2.134 0.000 -3.075) 3.743 11.115 ( -0.458 0.000 7.427) 7.441 11.169 ( 4.471 0.000 9.274) 10.295 11.462 ( 0.121 0.000 -6.658) 6.659 11.500 ( -2.294 0.000 -6.392) 6.791 11.730 ( 0.363 0.000 2.816) 2.840 11.900 ( -1.459 0.000 -4.692) 4.913 11.997 ( 2.082 0.000 0.523) 2.147 12.018 ( -1.048 0.000 -0.452) 1.142 12.716 ( 0.668 0.000 1.204) 1.377 12.739 ( -0.086 0.000 0.773) 0.778 12.921 ( -1.909 0.000 2.130) 2.860 12.973 ( 1.843 0.000 -0.158) 1.849 14.294 ( 0.917 0.000 0.194) 0.938 14.333 ( -0.585 0.000 -1.069) 1.219 14.365 ( 0.531 0.000 3.388) 3.429 14.496 ( -1.036 0.000 -2.021) 2.271 15.229 ( -4.114 0.000 1.015) 4.237 15.277 ( -2.226 0.000 -1.515) 2.693 15.295 ( 5.218 0.000 -1.143) 5.342 15.386 ( 1.233 0.000 -5.270) 5.412 15.785 ( -1.510 0.000 7.676) 7.823 15.801 ( -2.668 0.000 3.091) 4.083 15.916 ( 1.242 0.000 -1.132) 1.680 16.052 ( 1.948 0.000 -3.063) 3.630 16.246 ( 0.139 0.000 1.183) 1.191 16.321 ( -0.625 0.000 -2.572) 2.647 16.421 ( 1.161 0.000 1.745) 2.096 16.421 ( -0.122 0.000 2.265) 2.268 16.906 ( -0.628 0.000 2.197) 2.285 17.047 ( 1.331 0.000 -2.788) 3.089 17.270 ( -1.835 0.000 -1.622) 2.449 17.291 ( -0.458 0.000 -2.781) 2.819 18.068 ( 2.437 0.000 1.886) 3.081 18.161 ( -1.218 0.000 -2.427) 2.715 18.287 ( 0.623 0.000 3.427) 3.483 18.389 ( -1.259 0.000 -1.236) 1.764 21.591 ( -1.566 0.000 1.296) 2.033 21.654 ( 2.375 0.000 -1.234) 2.676 21.763 ( -2.809 0.000 1.071) 3.006 21.816 ( 2.263 0.000 -1.043) 2.491 27.477 ( 1.882 0.000 2.082) 2.807 27.543 ( 3.399 0.000 3.070) 4.580 27.602 ( -2.013 0.000 -3.177) 3.760 27.678 ( -3.189 0.000 -2.038) 3.784 29.264 ( 0.756 0.000 -0.375) 0.844 29.269 ( -0.375 0.000 -0.764) 0.851 29.308 ( 0.236 0.000 0.729) 0.767 29.319 ( -0.891 0.000 0.506) 1.025 30.264 ( 0.609 0.000 1.997) 2.088 30.372 ( -0.051 0.000 -2.292) 2.293 30.378 ( 2.093 0.000 2.003) 2.897 30.458 ( -2.221 0.000 -1.198) 2.523 31.700 ( -1.067 0.000 -0.441) 1.155 31.725 ( 0.139 0.000 -1.312) 1.320 31.764 ( -0.434 0.000 3.014) 3.045 31.896 ( 1.236 0.000 -1.883) 2.252 32.318 ( 1.493 0.000 0.054) 1.494 32.384 ( -4.685 0.000 -3.864) 6.073 32.428 ( -2.519 0.000 7.071) 7.506 32.635 ( 7.497 0.000 1.281) 7.605 33.084 ( -0.636 0.000 -3.359) 3.419 33.098 ( -0.158 0.000 -2.157) 2.163 33.724 ( -0.897 0.000 -3.097) 3.224 33.777 ( -1.237 0.000 -2.998) 3.243 34.075 ( 0.135 0.000 10.477) 10.478 34.261 ( 0.594 0.000 0.757) 0.962 34.737 ( -4.819 0.000 -0.579) 4.854 34.802 ( 5.165 0.000 -3.193) 6.072 ======================= Grid point 83 (31/88) ======================= q-point: (-0.40 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.284 ( -8.757 0.000 2.346) 9.066 2.305 ( -8.405 0.000 0.407) 8.414 2.450 ( -12.315 0.000 2.601) 12.586 2.557 ( -13.043 0.000 -1.100) 13.090 2.652 ( -5.536 0.000 -10.823) 12.156 2.679 ( -0.400 0.000 -1.524) 1.576 2.887 ( -0.926 0.000 2.603) 2.763 2.934 ( -5.117 0.000 7.099) 8.750 2.966 ( -1.898 0.000 -1.295) 2.297 3.107 ( -5.998 0.000 9.510) 11.243 3.246 ( 5.180 0.000 -5.747) 7.737 3.334 ( 10.500 0.000 2.652) 10.830 3.531 ( 8.141 0.000 -2.073) 8.401 3.657 ( -0.858 0.000 -4.442) 4.524 3.687 ( -6.458 0.000 9.344) 11.358 3.725 ( -2.365 0.000 -1.789) 2.966 3.929 ( 4.907 0.000 6.737) 8.334 3.933 ( -7.364 0.000 -5.585) 9.242 4.033 ( 7.490 0.000 -1.726) 7.686 4.125 ( -6.135 0.000 -7.463) 9.661 4.177 ( -2.947 0.000 3.061) 4.249 4.200 ( -0.687 0.000 -0.597) 0.910 4.434 ( -3.142 0.000 2.782) 4.197 4.554 ( -12.282 0.000 0.892) 12.314 4.753 ( -0.288 0.000 17.624) 17.626 4.764 ( -1.312 0.000 -5.412) 5.568 4.911 ( 3.248 0.000 4.557) 5.596 4.946 ( 1.806 0.000 0.830) 1.988 5.125 ( -0.633 0.000 3.671) 3.726 5.175 ( 1.264 0.000 -17.460) 17.505 5.391 ( -1.297 0.000 -6.143) 6.279 5.459 ( -6.474 0.000 -2.523) 6.948 5.504 ( -5.713 0.000 -8.875) 10.555 5.672 ( -8.876 0.000 -0.688) 8.903 5.718 ( -0.505 0.000 -2.761) 2.807 5.775 ( -2.253 0.000 -0.249) 2.267 5.888 ( -4.502 0.000 -0.356) 4.516 6.133 ( 9.289 0.000 -5.032) 10.565 6.313 ( -14.431 0.000 12.188) 18.889 6.321 ( -3.996 0.000 7.188) 8.225 6.633 ( -0.940 0.000 1.122) 1.464 6.741 ( -3.191 0.000 2.410) 3.999 6.962 ( 2.868 0.000 -3.856) 4.806 7.024 ( 5.557 0.000 -2.675) 6.167 7.194 ( 8.863 0.000 -4.937) 10.145 7.203 ( 6.841 0.000 0.771) 6.885 7.777 ( 1.797 0.000 4.753) 5.082 7.938 ( 3.838 0.000 -3.582) 5.250 8.340 ( -1.365 0.000 -7.527) 7.650 8.378 ( 10.637 0.000 10.277) 14.790 8.644 ( 3.979 0.000 13.403) 13.981 8.890 ( 2.364 0.000 -6.407) 6.829 9.270 ( 2.386 0.000 1.271) 2.704 9.302 ( 0.454 0.000 -4.459) 4.482 9.329 ( 1.878 0.000 1.475) 2.388 9.494 ( -2.249 0.000 5.375) 5.826 9.526 ( 4.202 0.000 -7.923) 8.968 9.904 ( 5.226 0.000 -4.763) 7.071 10.091 ( -2.933 0.000 15.272) 15.551 10.437 ( -2.604 0.000 -1.848) 3.193 10.488 ( -5.910 0.000 -9.115) 10.864 10.614 ( -4.046 0.000 2.478) 4.744 10.668 ( 0.992 0.000 -2.366) 2.565 10.882 ( 11.493 0.000 -3.398) 11.985 11.177 ( 0.971 0.000 7.777) 7.837 11.323 ( 3.449 0.000 10.459) 11.012 11.337 ( -4.720 0.000 -8.226) 9.484 11.470 ( 3.165 0.000 -9.096) 9.631 11.758 ( -0.179 0.000 3.975) 3.979 11.833 ( -1.931 0.000 -4.291) 4.705 11.988 ( -1.281 0.000 -0.989) 1.619 12.037 ( 1.709 0.000 0.126) 1.713 12.715 ( -2.182 0.000 2.092) 3.023 12.740 ( -0.071 0.000 -0.698) 0.701 12.887 ( -2.549 0.000 0.648) 2.630 12.989 ( -0.467 0.000 0.563) 0.731 14.311 ( -0.584 0.000 -1.561) 1.666 14.315 ( 0.866 0.000 0.690) 1.107 14.410 ( 0.928 0.000 4.532) 4.626 14.455 ( -1.137 0.000 -3.082) 3.285 15.155 ( -3.928 0.000 0.348) 3.943 15.188 ( -3.736 0.000 -2.423) 4.453 15.403 ( 5.537 0.000 2.027) 5.896 15.431 ( 5.535 0.000 -4.348) 7.038 15.792 ( -0.263 0.000 1.835) 1.854 15.805 ( -2.325 0.000 6.962) 7.340 15.927 ( 0.340 0.000 -0.134) 0.365 16.060 ( 1.787 0.000 -4.233) 4.595 16.242 ( -1.641 0.000 2.043) 2.620 16.261 ( -3.607 0.000 -2.169) 4.209 16.413 ( -2.342 0.000 1.900) 3.016 16.454 ( 1.270 0.000 1.130) 1.700 16.910 ( -0.630 0.000 2.654) 2.727 17.049 ( 1.177 0.000 -4.055) 4.223 17.222 ( -1.874 0.000 -1.269) 2.263 17.269 ( -0.250 0.000 -0.730) 0.772 18.113 ( -1.238 0.000 -3.780) 3.978 18.144 ( 3.337 0.000 2.247) 4.023 18.345 ( 2.221 0.000 4.220) 4.768 18.365 ( 0.332 0.000 -1.966) 1.994 21.555 ( -2.626 0.000 0.101) 2.628 21.618 ( -4.118 0.000 0.707) 4.178 21.790 ( 4.007 0.000 -1.258) 4.200 21.872 ( 3.667 0.000 0.278) 3.677 27.552 ( -0.124 0.000 -4.297) 4.299 27.568 ( 5.269 0.000 3.658) 6.414 27.605 ( -1.766 0.000 -4.605) 4.932 27.676 ( 7.006 0.000 4.817) 8.502 29.251 ( -0.789 0.000 -0.911) 1.205 29.272 ( 0.354 0.000 -0.119) 0.374 29.308 ( -0.375 0.000 0.095) 0.387 29.327 ( 0.909 0.000 1.187) 1.495 30.275 ( -0.720 0.000 2.327) 2.435 30.304 ( -3.591 0.000 -2.892) 4.611 30.457 ( 2.696 0.000 -2.762) 3.860 30.482 ( 5.889 0.000 3.193) 6.699 31.598 ( -6.903 0.000 1.706) 7.110 31.675 ( -3.727 0.000 -1.484) 4.011 31.841 ( 3.418 0.000 0.849) 3.522 31.927 ( 2.852 0.000 -1.863) 3.407 32.254 ( -6.253 0.000 -1.245) 6.375 32.323 ( -3.218 0.000 1.658) 3.620 32.397 ( -3.813 0.000 6.038) 7.141 32.757 ( 4.712 0.000 -4.375) 6.430 33.016 ( -4.053 0.000 -1.180) 4.221 33.066 ( -1.637 0.000 -2.035) 2.612 33.683 ( -2.086 0.000 0.202) 2.096 33.702 ( -3.867 0.000 -2.170) 4.434 34.142 ( -1.049 0.000 10.163) 10.217 34.291 ( 2.527 0.000 -2.135) 3.308 34.628 ( -4.600 0.000 -3.795) 5.963 34.886 ( 4.967 0.000 0.076) 4.968 ======================= Grid point 84 (32/88) ======================= q-point: (-0.30 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.904 ( -29.956 0.000 -6.292) 30.609 1.979 ( -28.819 0.000 5.385) 29.318 2.257 ( -10.383 0.000 -5.871) 11.928 2.292 ( -1.522 0.000 3.597) 3.906 2.511 ( -1.201 0.000 -10.993) 11.058 2.717 ( -8.162 0.000 4.845) 9.492 2.867 ( -4.968 0.000 0.477) 4.991 2.935 ( 2.188 0.000 1.403) 2.599 2.988 ( 2.612 0.000 8.120) 8.529 3.053 ( -5.116 0.000 6.207) 8.044 3.205 ( -6.248 0.000 -10.150) 11.919 3.487 ( -16.017 0.000 -0.255) 16.019 3.551 ( 10.821 0.000 -1.178) 10.885 3.559 ( -9.224 0.000 -3.713) 9.944 3.608 ( -6.405 0.000 8.841) 10.917 3.673 ( 5.401 0.000 0.553) 5.429 3.772 ( -3.160 0.000 -6.422) 7.158 3.970 ( -6.290 0.000 3.185) 7.050 4.025 ( -0.670 0.000 -6.126) 6.163 4.073 ( -10.477 0.000 -0.190) 10.478 4.097 ( -1.232 0.000 -4.359) 4.530 4.173 ( -1.944 0.000 8.933) 9.142 4.291 ( -7.621 0.000 -2.122) 7.910 4.348 ( -6.577 0.000 1.167) 6.680 4.632 ( -5.964 0.000 -7.250) 9.387 4.850 ( -2.452 0.000 12.816) 13.048 4.904 ( -6.749 0.000 1.305) 6.874 5.041 ( 2.853 0.000 1.458) 3.204 5.112 ( 0.199 0.000 -2.087) 2.097 5.223 ( 11.629 0.000 -20.177) 23.288 5.312 ( -4.947 0.000 1.138) 5.076 5.376 ( -2.447 0.000 2.859) 3.763 5.399 ( 1.903 0.000 -2.684) 3.290 5.478 ( -6.250 0.000 -0.085) 6.251 5.680 ( -2.509 0.000 0.717) 2.609 5.807 ( 4.831 0.000 2.806) 5.586 5.818 ( -1.520 0.000 -1.327) 2.018 6.087 ( -10.453 0.000 3.727) 11.097 6.256 ( -1.477 0.000 3.307) 3.622 6.303 ( -2.865 0.000 5.224) 5.958 6.592 ( -4.941 0.000 4.745) 6.850 6.660 ( -6.401 0.000 2.941) 7.044 6.986 ( 2.567 0.000 -5.114) 5.722 7.117 ( 3.728 0.000 0.007) 3.728 7.338 ( 9.079 0.000 -4.004) 9.923 7.369 ( 10.384 0.000 0.788) 10.414 7.910 ( 9.647 0.000 3.060) 10.121 7.993 ( 5.374 0.000 -3.900) 6.641 8.295 ( 3.158 0.000 -8.461) 9.031 8.632 ( 7.620 0.000 7.550) 10.727 8.858 ( 9.360 0.000 8.641) 12.738 8.912 ( 6.034 0.000 -8.392) 10.337 9.282 ( 1.234 0.000 -4.639) 4.800 9.285 ( 0.202 0.000 -2.656) 2.664 9.386 ( 2.643 0.000 1.823) 3.211 9.513 ( -1.257 0.000 10.585) 10.660 9.586 ( 6.680 0.000 -7.656) 10.161 9.984 ( 6.279 0.000 -4.078) 7.487 10.161 ( -2.726 0.000 16.676) 16.897 10.236 ( -10.615 0.000 -6.711) 12.559 10.429 ( 3.546 0.000 -9.404) 10.051 10.591 ( -0.944 0.000 4.553) 4.649 10.694 ( 0.495 0.000 4.343) 4.371 11.018 ( 5.926 0.000 -7.862) 9.846 11.205 ( -2.200 0.000 -5.558) 5.978 11.271 ( 2.594 0.000 7.851) 8.269 11.442 ( 0.466 0.000 10.197) 10.207 11.448 ( 1.882 0.000 -10.818) 10.981 11.767 ( -1.813 0.000 -3.504) 3.945 11.784 ( -0.546 0.000 4.586) 4.618 11.962 ( -0.568 0.000 -1.050) 1.194 12.059 ( 0.661 0.000 -0.291) 0.722 12.666 ( -5.078 0.000 3.194) 5.999 12.720 ( -0.417 0.000 -3.540) 3.564 12.852 ( -0.806 0.000 -0.530) 0.965 12.961 ( -2.751 0.000 0.073) 2.752 14.294 ( 0.136 0.000 -1.340) 1.347 14.335 ( 0.636 0.000 0.695) 0.942 14.412 ( -0.770 0.000 -3.134) 3.227 14.460 ( 0.539 0.000 4.102) 4.137 15.103 ( -2.348 0.000 2.712) 3.587 15.132 ( -0.176 0.000 -1.551) 1.561 15.496 ( 4.511 0.000 -4.244) 6.194 15.522 ( 4.073 0.000 4.660) 6.189 15.804 ( -3.060 0.000 6.029) 6.761 15.816 ( 2.208 0.000 -0.484) 2.261 15.925 ( -0.901 0.000 1.168) 1.475 16.053 ( 1.688 0.000 -6.299) 6.521 16.163 ( -5.228 0.000 -0.773) 5.284 16.216 ( -3.160 0.000 2.498) 4.028 16.369 ( -3.608 0.000 2.173) 4.212 16.498 ( 3.650 0.000 -0.894) 3.758 16.928 ( 0.025 0.000 3.434) 3.434 17.019 ( -0.398 0.000 -5.365) 5.379 17.189 ( -1.570 0.000 1.500) 2.171 17.270 ( -0.474 0.000 1.800) 1.861 18.060 ( -1.150 0.000 -3.924) 4.089 18.198 ( 1.264 0.000 -0.628) 1.411 18.389 ( 3.419 0.000 -0.494) 3.454 18.429 ( 3.101 0.000 4.440) 5.416 21.500 ( -2.650 0.000 -1.113) 2.875 21.551 ( -3.602 0.000 1.548) 3.921 21.857 ( 4.311 0.000 -2.143) 4.814 21.946 ( 3.532 0.000 0.747) 3.610 27.533 ( 1.297 0.000 -4.178) 4.374 27.551 ( 0.095 0.000 -3.852) 3.853 27.717 ( 7.195 0.000 3.324) 7.926 27.864 ( 9.051 0.000 3.567) 9.729 29.227 ( -0.990 0.000 -0.744) 1.239 29.275 ( 0.020 0.000 -0.203) 0.204 29.309 ( 0.338 0.000 0.275) 0.435 29.356 ( 1.108 0.000 1.324) 1.727 30.224 ( -2.396 0.000 -2.556) 3.504 30.277 ( -0.776 0.000 1.642) 1.817 30.499 ( 3.974 0.000 -2.686) 4.797 30.620 ( 5.975 0.000 2.465) 6.463 31.487 ( -6.668 0.000 2.775) 7.222 31.583 ( -4.278 0.000 -1.940) 4.697 31.881 ( 0.457 0.000 0.071) 0.462 31.952 ( 0.627 0.000 -1.417) 1.549 32.140 ( -5.755 0.000 1.303) 5.901 32.198 ( -9.381 0.000 1.230) 9.462 32.428 ( 0.725 0.000 6.944) 6.982 32.676 ( -6.080 0.000 -12.857) 14.222 32.962 ( -3.303 0.000 4.442) 5.535 33.000 ( -4.213 0.000 -1.167) 4.371 33.619 ( -3.474 0.000 -0.401) 3.497 33.650 ( -2.323 0.000 1.821) 2.952 34.201 ( -0.754 0.000 10.043) 10.072 34.310 ( 2.641 0.000 -6.013) 6.567 34.528 ( -1.870 0.000 -4.663) 5.024 34.986 ( 4.874 0.000 1.336) 5.054 ======================= Grid point 85 (33/88) ======================= q-point: (-0.20 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.231 ( -33.803 0.000 -7.097) 34.540 1.418 ( -34.582 0.000 8.304) 35.565 2.010 ( -13.101 0.000 -4.360) 13.807 2.270 ( -41.851 0.000 7.179) 42.463 2.347 ( -1.779 0.000 6.442) 6.684 2.402 ( 2.014 0.000 -17.399) 17.515 2.740 ( -8.381 0.000 -5.174) 9.850 2.889 ( -6.662 0.000 3.044) 7.324 2.904 ( -6.860 0.000 -1.655) 7.057 3.072 ( -12.865 0.000 -0.632) 12.880 3.087 ( 5.653 0.000 -1.780) 5.927 3.279 ( 1.925 0.000 8.193) 8.416 3.488 ( -0.610 0.000 3.368) 3.423 3.559 ( -5.959 0.000 9.067) 10.850 3.635 ( -7.386 0.000 -1.495) 7.536 3.638 ( -6.692 0.000 -4.541) 8.087 3.724 ( -1.308 0.000 -2.300) 2.645 3.831 ( -5.512 0.000 2.908) 6.232 3.875 ( -6.949 0.000 -3.827) 7.933 3.991 ( -3.733 0.000 0.629) 3.785 4.008 ( -0.171 0.000 -2.951) 2.956 4.061 ( -11.055 0.000 -1.877) 11.213 4.237 ( 3.863 0.000 -4.603) 6.009 4.351 ( 3.425 0.000 8.241) 8.925 4.487 ( -2.713 0.000 -6.025) 6.607 4.786 ( -0.704 0.000 -7.087) 7.122 4.912 ( -4.031 0.000 11.966) 12.626 5.064 ( -0.112 0.000 -6.543) 6.544 5.077 ( -7.890 0.000 3.024) 8.450 5.096 ( 1.063 0.000 -6.628) 6.713 5.237 ( -7.313 0.000 -0.016) 7.313 5.272 ( 0.269 0.000 -7.655) 7.660 5.484 ( 3.057 0.000 -12.063) 12.445 5.532 ( 0.869 0.000 7.650) 7.699 5.730 ( 4.699 0.000 6.095) 7.696 5.810 ( 4.270 0.000 -2.418) 4.907 5.879 ( -5.704 0.000 -0.907) 5.776 5.982 ( 2.317 0.000 5.003) 5.514 6.210 ( -5.637 0.000 3.765) 6.779 6.291 ( -1.235 0.000 1.741) 2.135 6.537 ( -5.324 0.000 6.079) 8.081 6.580 ( -5.805 0.000 7.612) 9.573 6.973 ( 0.385 0.000 -4.000) 4.019 7.141 ( -0.160 0.000 -2.889) 2.893 7.482 ( 8.720 0.000 -1.670) 8.878 7.600 ( 13.072 0.000 0.426) 13.079 8.078 ( 5.710 0.000 -1.708) 5.960 8.141 ( 11.129 0.000 -0.478) 11.140 8.344 ( 8.738 0.000 -4.934) 10.035 8.783 ( 4.912 0.000 3.169) 5.845 8.983 ( 7.815 0.000 -8.017) 11.195 9.081 ( 8.646 0.000 3.382) 9.284 9.261 ( -0.788 0.000 -1.711) 1.883 9.264 ( -1.271 0.000 -1.996) 2.366 9.459 ( 3.922 0.000 0.292) 3.933 9.583 ( -0.566 0.000 10.357) 10.372 9.647 ( 5.432 0.000 -6.218) 8.256 9.943 ( -8.427 0.000 -14.827) 17.054 10.083 ( 2.669 0.000 -1.052) 2.869 10.238 ( -2.622 0.000 16.460) 16.667 10.467 ( 7.218 0.000 -7.159) 10.166 10.649 ( 2.770 0.000 5.397) 6.066 10.747 ( -0.266 0.000 9.215) 9.218 10.974 ( -0.190 0.000 -11.557) 11.558 11.190 ( 0.454 0.000 -0.493) 0.670 11.364 ( -1.129 0.000 -11.448) 11.504 11.390 ( 2.899 0.000 7.739) 8.264 11.491 ( -2.615 0.000 9.433) 9.789 11.717 ( -1.000 0.000 -2.343) 2.548 11.806 ( -0.710 0.000 3.787) 3.854 11.952 ( 0.447 0.000 -1.424) 1.492 12.056 ( -0.444 0.000 -0.854) 0.963 12.581 ( -6.247 0.000 3.411) 7.117 12.669 ( -0.853 0.000 -7.032) 7.084 12.855 ( 1.464 0.000 -0.685) 1.617 12.886 ( -4.535 0.000 -1.660) 4.829 14.301 ( 1.374 0.000 -0.440) 1.443 14.350 ( 0.510 0.000 0.391) 0.642 14.380 ( -0.392 0.000 -2.379) 2.411 14.484 ( -0.636 0.000 2.320) 2.405 15.127 ( 0.971 0.000 8.923) 8.976 15.163 ( 4.105 0.000 -0.363) 4.121 15.535 ( 2.687 0.000 -2.824) 3.898 15.613 ( 1.353 0.000 4.985) 5.166 15.779 ( -4.135 0.000 5.015) 6.500 15.865 ( 3.972 0.000 -2.407) 4.644 15.917 ( -1.036 0.000 1.783) 2.063 16.029 ( 0.372 0.000 -5.567) 5.580 16.070 ( -3.131 0.000 -1.462) 3.455 16.155 ( -5.024 0.000 1.878) 5.364 16.329 ( -2.414 0.000 4.286) 4.919 16.578 ( 6.395 0.000 -4.255) 7.681 16.960 ( 0.284 0.000 3.812) 3.823 16.974 ( 0.053 0.000 -3.219) 3.219 17.191 ( -1.028 0.000 5.263) 5.362 17.261 ( -2.582 0.000 2.069) 3.309 18.018 ( -0.688 0.000 -1.743) 1.874 18.193 ( 0.294 0.000 -3.035) 3.049 18.469 ( 4.480 0.000 0.309) 4.490 18.522 ( 3.230 0.000 3.711) 4.920 21.442 ( -2.227 0.000 -1.672) 2.785 21.507 ( -2.480 0.000 1.805) 3.067 21.919 ( 4.022 0.000 -1.964) 4.476 22.007 ( 2.398 0.000 0.282) 2.415 27.534 ( 1.952 0.000 0.347) 1.983 27.568 ( 2.473 0.000 0.127) 2.476 27.871 ( 6.770 0.000 1.481) 6.930 28.049 ( 8.638 0.000 0.143) 8.639 29.205 ( -0.829 0.000 -0.252) 0.866 29.270 ( -0.200 0.000 -0.584) 0.617 29.327 ( 0.989 0.000 1.373) 1.692 29.385 ( 0.834 0.000 1.093) 1.375 30.185 ( -0.314 0.000 -0.596) 0.674 30.269 ( -1.046 0.000 0.666) 1.240 30.570 ( 5.191 0.000 -1.075) 5.301 30.730 ( 4.113 0.000 0.762) 4.183 31.392 ( -5.632 0.000 3.070) 6.414 31.496 ( -3.013 0.000 -2.199) 3.730 31.863 ( -2.669 0.000 1.263) 2.953 31.923 ( -2.557 0.000 -0.554) 2.617 32.037 ( -7.357 0.000 0.317) 7.364 32.053 ( -5.087 0.000 1.981) 5.459 32.403 ( -12.080 0.000 -9.894) 15.614 32.503 ( 1.240 0.000 6.468) 6.586 32.895 ( -5.958 0.000 -0.382) 5.970 32.915 ( -4.710 0.000 2.145) 5.175 33.573 ( -1.658 0.000 0.965) 1.919 33.619 ( -2.077 0.000 1.049) 2.327 34.266 ( 0.513 0.000 7.511) 7.529 34.299 ( 2.220 0.000 -8.765) 9.041 34.501 ( 1.632 0.000 -2.479) 2.968 35.075 ( 4.027 0.000 -2.364) 4.670 ======================= Grid point 86 (34/88) ======================= q-point: (-0.10 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.651 ( -23.986 0.000 15.387) 28.498 0.862 ( -32.956 0.000 18.563) 37.824 1.384 ( -52.896 0.000 28.113) 59.903 1.823 ( -6.047 0.000 -12.424) 13.817 2.127 ( -13.330 0.000 -10.296) 16.843 2.408 ( 6.712 0.000 -13.322) 14.917 2.560 ( -5.870 0.000 -0.720) 5.914 2.799 ( -9.819 0.000 1.372) 9.914 2.843 ( -1.740 0.000 1.123) 2.071 2.869 ( 1.873 0.000 0.278) 1.894 3.148 ( 1.013 0.000 -2.335) 2.545 3.345 ( -12.685 0.000 -11.927) 17.412 3.366 ( -4.598 0.000 3.252) 5.632 3.516 ( -9.616 0.000 15.407) 18.162 3.525 ( 3.595 0.000 4.383) 5.668 3.559 ( -8.147 0.000 -4.238) 9.183 3.616 ( 7.484 0.000 12.050) 14.185 3.769 ( -1.958 0.000 2.242) 2.977 3.784 ( -1.309 0.000 9.470) 9.560 3.930 ( -0.630 0.000 -0.502) 0.806 3.961 ( -2.463 0.000 -1.176) 2.730 4.013 ( 0.776 0.000 -0.898) 1.187 4.324 ( 7.706 0.000 -5.375) 9.395 4.443 ( 0.994 0.000 -5.593) 5.680 4.521 ( 5.766 0.000 5.700) 8.108 4.741 ( 3.521 0.000 -8.289) 9.006 4.825 ( -10.618 0.000 7.699) 13.115 4.932 ( -3.718 0.000 -1.744) 4.107 5.073 ( -1.702 0.000 0.093) 1.705 5.090 ( -2.099 0.000 -1.538) 2.603 5.183 ( 6.415 0.000 -5.237) 8.281 5.188 ( -5.261 0.000 -2.820) 5.969 5.347 ( -6.237 0.000 -13.055) 14.468 5.533 ( -5.064 0.000 5.698) 7.623 5.707 ( -12.007 0.000 1.154) 12.062 5.755 ( 1.658 0.000 -5.338) 5.590 5.985 ( 8.910 0.000 -1.023) 8.969 6.075 ( 3.811 0.000 0.675) 3.870 6.130 ( -3.713 0.000 -2.257) 4.345 6.279 ( -0.656 0.000 -1.982) 2.088 6.474 ( -5.470 0.000 3.857) 6.693 6.527 ( -7.875 0.000 4.022) 8.843 6.974 ( 1.558 0.000 0.414) 1.613 7.077 ( -2.671 0.000 -2.183) 3.449 7.626 ( 5.565 0.000 2.303) 6.022 7.816 ( 8.613 0.000 -2.425) 8.948 8.176 ( 4.439 0.000 1.663) 4.740 8.281 ( 6.797 0.000 -3.033) 7.443 8.542 ( 11.478 0.000 0.285) 11.481 8.948 ( 12.852 0.000 7.452) 14.856 9.069 ( 4.966 0.000 -2.625) 5.617 9.176 ( -4.543 0.000 -0.500) 4.571 9.234 ( 0.203 0.000 -3.050) 3.056 9.259 ( 5.797 0.000 7.041) 9.121 9.437 ( -7.388 0.000 -11.183) 13.403 9.629 ( -2.762 0.000 9.164) 9.571 9.694 ( 3.838 0.000 -5.085) 6.371 9.712 ( -2.800 0.000 -3.556) 4.526 10.122 ( 2.903 0.000 -3.090) 4.240 10.297 ( -4.041 0.000 13.782) 14.362 10.565 ( 6.421 0.000 -4.389) 7.778 10.753 ( 2.842 0.000 3.918) 4.840 10.830 ( 2.318 0.000 7.414) 7.768 10.898 ( 0.965 0.000 -7.750) 7.810 11.112 ( -4.926 0.000 -6.829) 8.420 11.331 ( 4.227 0.000 -1.781) 4.587 11.380 ( -7.515 0.000 2.166) 7.821 11.587 ( 3.123 0.000 8.473) 9.030 11.697 ( 0.235 0.000 -0.913) 0.943 11.803 ( -1.609 0.000 0.562) 1.704 11.963 ( 1.539 0.000 -0.033) 1.540 12.039 ( -0.280 0.000 -0.476) 0.552 12.495 ( -5.160 0.000 2.727) 5.837 12.566 ( -3.640 0.000 -9.225) 9.917 12.783 ( -4.152 0.000 -0.174) 4.156 12.883 ( 1.747 0.000 -0.910) 1.970 14.337 ( 2.183 0.000 0.717) 2.298 14.361 ( 0.506 0.000 0.024) 0.506 14.361 ( -0.191 0.000 -1.220) 1.235 14.475 ( -1.522 0.000 0.964) 1.802 15.272 ( 7.056 0.000 0.431) 7.069 15.332 ( 12.515 0.000 15.368) 19.819 15.555 ( -0.361 0.000 1.276) 1.326 15.637 ( -1.687 0.000 1.668) 2.372 15.730 ( -4.128 0.000 3.909) 5.685 15.917 ( 2.832 0.000 -2.543) 3.806 15.920 ( 0.370 0.000 1.093) 1.154 15.981 ( -1.667 0.000 -0.128) 1.671 16.040 ( 2.262 0.000 -6.170) 6.571 16.065 ( -5.585 0.000 1.260) 5.726 16.411 ( 8.554 0.000 10.259) 13.358 16.655 ( 6.501 0.000 -6.970) 9.531 16.986 ( -0.678 0.000 2.930) 3.008 16.996 ( 3.082 0.000 0.478) 3.119 17.186 ( -5.555 0.000 -0.775) 5.609 17.188 ( -6.029 0.000 -0.245) 6.034 18.023 ( 0.710 0.000 3.385) 3.458 18.177 ( 0.980 0.000 -3.904) 4.025 18.543 ( 2.946 0.000 -0.242) 2.956 18.582 ( 0.467 0.000 -2.089) 2.141 21.413 ( 0.718 0.000 2.490) 2.592 21.482 ( -1.674 0.000 1.600) 2.316 21.978 ( 3.244 0.000 -0.787) 3.338 22.039 ( 1.035 0.000 -0.099) 1.039 27.618 ( 2.759 0.000 2.723) 3.877 27.747 ( 16.541 0.000 21.880) 27.429 27.976 ( 3.760 0.000 -1.084) 3.913 28.177 ( 5.804 0.000 -2.511) 6.324 29.195 ( -0.347 0.000 0.447) 0.566 29.261 ( -0.016 0.000 -0.991) 0.991 29.388 ( 4.550 0.000 5.085) 6.823 29.402 ( 0.140 0.000 0.859) 0.870 30.205 ( 1.376 0.000 3.014) 3.313 30.273 ( 2.184 0.000 4.476) 4.980 30.672 ( 5.048 0.000 0.976) 5.141 30.782 ( 1.494 0.000 -0.930) 1.760 31.325 ( -3.741 0.000 2.809) 4.678 31.442 ( -0.850 0.000 -2.293) 2.445 31.826 ( -1.598 0.000 3.821) 4.141 31.869 ( -2.267 0.000 -0.091) 2.269 31.943 ( -3.078 0.000 -0.046) 3.079 31.972 ( -5.095 0.000 1.911) 5.442 32.129 ( -9.302 0.000 -4.615) 10.384 32.552 ( -0.324 0.000 3.232) 3.249 32.751 ( -9.849 0.000 -8.967) 13.319 32.829 ( -4.291 0.000 -0.824) 4.369 33.564 ( -0.666 0.000 1.288) 1.450 33.591 ( -1.264 0.000 0.023) 1.264 34.254 ( -0.207 0.000 -9.196) 9.198 34.325 ( 0.965 0.000 3.116) 3.262 34.528 ( 1.731 0.000 -0.141) 1.737 35.008 ( -8.074 0.000 -18.104) 19.823 ======================= Grid point 87 (35/88) ======================= q-point: ( 0.00 0.17 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.953 ( 4.716 23.548 20.071) 31.299 1.030 ( 6.314 25.519 24.717) 36.083 1.587 ( -11.094 42.019 28.720) 52.092 1.729 ( 1.376 6.500 -15.265) 16.648 1.970 ( -2.949 9.587 -14.683) 17.782 2.491 ( 2.764 -5.004 2.768) 6.352 2.607 ( 10.888 4.708 -14.221) 18.519 2.750 ( 1.884 -0.673 -0.225) 2.013 2.782 ( -5.518 -7.775 -1.809) 9.705 2.843 ( 2.373 3.470 4.823) 6.398 2.979 ( 0.794 5.634 1.285) 5.833 3.216 ( -3.844 7.434 -2.854) 8.843 3.367 ( -1.793 3.347 1.670) 4.148 3.440 ( 1.579 0.642 -2.036) 2.655 3.508 ( 1.259 -7.265 7.063) 10.210 3.624 ( -4.113 -10.444 2.857) 11.583 3.663 ( 2.965 -5.981 -1.926) 6.948 3.735 ( -0.578 -5.067 6.219) 8.042 3.848 ( 1.054 1.985 2.463) 3.334 3.952 ( -1.249 2.075 0.153) 2.427 4.020 ( 1.062 0.881 -2.293) 2.676 4.148 ( 4.713 -2.411 -2.491) 5.851 4.352 ( -4.404 4.967 -2.793) 7.202 4.451 ( 7.859 -7.903 -2.806) 11.493 4.545 ( -3.125 -1.922 -1.766) 4.072 4.584 ( -3.616 -7.687 1.589) 8.643 4.817 ( 7.054 -4.524 3.971) 9.273 4.902 ( -3.123 0.454 5.425) 6.276 4.954 ( -0.750 -6.475 1.673) 6.729 4.990 ( -4.317 1.558 1.629) 4.870 5.126 ( 3.702 -2.232 3.520) 5.574 5.253 ( 1.823 5.625 -2.032) 6.252 5.325 ( 1.906 3.751 -8.333) 9.335 5.466 ( 0.297 0.183 -4.701) 4.714 5.535 ( -2.433 3.988 5.268) 7.041 5.728 ( -1.776 -3.485 2.268) 4.522 5.965 ( 3.161 8.602 -5.079) 10.477 6.035 ( -3.261 0.976 -6.144) 7.024 6.288 ( -0.868 7.161 3.199) 7.891 6.344 ( -6.932 0.645 3.465) 7.776 6.400 ( 5.273 2.792 0.522) 5.990 6.501 ( 2.527 8.940 -3.971) 10.103 6.878 ( 0.616 -9.991 6.920) 12.169 7.117 ( 1.833 -0.647 -5.235) 5.584 7.615 ( -0.668 -8.264 6.346) 10.440 7.793 ( -0.377 -6.418 -2.063) 6.751 8.120 ( -0.259 -11.760 3.468) 12.263 8.285 ( 1.583 -6.288 -4.214) 7.733 8.772 ( -0.037 3.068 4.629) 5.554 8.907 ( 5.494 -2.846 -0.305) 6.194 9.033 ( -7.287 3.508 -3.691) 8.890 9.092 ( 0.130 -4.271 -3.633) 5.609 9.235 ( 2.197 -5.098 -3.184) 6.400 9.253 ( 0.661 -4.099 -1.874) 4.556 9.470 ( -1.261 0.266 10.128) 10.209 9.695 ( 3.239 -1.510 2.194) 4.193 9.774 ( 0.718 5.799 -4.051) 7.110 9.831 ( 0.846 3.316 -2.625) 4.313 10.114 ( 9.912 -14.098 5.407) 18.062 10.251 ( -6.150 -12.221 7.766) 15.732 10.338 ( -8.040 0.344 5.885) 9.970 10.623 ( 2.759 -3.649 -6.615) 8.043 10.813 ( 1.342 -3.476 0.812) 3.814 10.959 ( 0.516 -3.909 -6.946) 7.987 11.074 ( -1.309 -4.329 5.267) 6.942 11.232 ( -2.047 -1.053 1.609) 2.808 11.289 ( -1.755 -5.124 4.744) 7.200 11.341 ( 1.506 -5.095 0.785) 5.371 11.813 ( -0.515 2.353 0.512) 2.463 11.887 ( 4.920 -5.183 -2.279) 7.501 11.978 ( -2.595 1.702 1.752) 3.564 12.135 ( -2.847 3.343 -9.016) 10.028 12.622 ( -1.887 12.786 1.071) 12.969 12.761 ( 7.962 12.222 -2.944) 14.881 12.836 ( -0.880 8.199 1.036) 8.311 12.932 ( -0.197 4.095 -1.485) 4.361 14.359 ( 0.107 -0.055 1.181) 1.187 14.390 ( 0.277 1.797 1.590) 2.415 14.459 ( -1.725 1.161 -1.587) 2.616 14.514 ( 3.308 6.979 -8.068) 11.168 15.180 ( 1.538 -10.916 6.988) 13.052 15.410 ( -3.209 -8.950 -4.904) 10.698 15.524 ( -3.734 1.797 4.985) 6.483 15.700 ( -0.201 -0.763 2.717) 2.829 15.866 ( 4.076 5.396 -7.035) 9.758 15.940 ( 0.201 0.361 -2.671) 2.703 15.965 ( 2.270 2.405 -0.520) 3.348 15.986 ( 0.195 8.228 -4.296) 9.284 16.129 ( -0.021 8.419 0.139) 8.420 16.161 ( 0.711 9.276 -0.445) 9.314 16.617 ( -13.608 -0.486 -3.832) 14.146 16.689 ( -5.909 -2.103 -4.048) 7.465 16.853 ( 11.170 -0.830 3.732) 11.806 16.933 ( -2.173 -3.507 2.236) 4.693 17.074 ( -5.726 3.008 -2.707) 7.012 17.095 ( 4.300 -0.935 -2.343) 4.985 17.983 ( -2.134 -3.449 2.564) 4.798 18.159 ( 2.606 -1.388 -4.914) 5.733 18.434 ( -3.220 -5.269 3.112) 6.915 18.518 ( -0.353 -4.800 -0.579) 4.848 21.548 ( -1.069 8.405 1.981) 8.701 21.620 ( 2.497 6.187 -0.365) 6.682 22.039 ( 0.611 0.588 1.433) 1.665 22.069 ( -0.926 2.006 -0.291) 2.229 27.691 ( 0.927 0.273 5.730) 5.811 27.755 ( 0.112 -6.258 10.063) 11.850 28.245 ( -0.527 3.757 -3.766) 5.346 28.509 ( -0.572 7.523 -17.516) 19.072 29.191 ( 0.146 -0.528 0.767) 0.942 29.228 ( 0.362 -1.973 -0.494) 2.066 29.422 ( -0.391 2.432 1.573) 2.923 29.579 ( -1.355 3.407 -8.318) 9.090 30.275 ( 0.595 0.802 6.001) 6.083 30.465 ( 3.639 -5.789 2.724) 7.361 30.757 ( 0.112 1.836 1.512) 2.381 30.806 ( 0.723 0.956 -0.480) 1.291 31.319 ( -1.265 1.891 2.890) 3.678 31.449 ( 0.277 1.308 -1.590) 2.077 31.762 ( -1.921 -4.756 3.233) 6.063 31.858 ( -0.655 -2.668 -1.933) 3.359 31.920 ( 0.982 1.147 1.389) 2.052 32.041 ( 11.395 2.356 -4.408) 12.443 32.051 ( 2.913 -0.903 0.116) 3.052 32.084 ( -22.114 1.311 -2.572) 22.302 32.582 ( 2.412 0.397 4.185) 4.847 32.754 ( 0.079 -1.018 -2.683) 2.871 33.078 ( 3.660 -19.339 16.915) 25.952 33.353 ( -0.842 -14.743 -1.783) 14.874 34.337 ( -0.933 9.684 6.584) 11.747 34.561 ( -0.029 0.981 1.029) 1.422 34.625 ( 2.292 4.603 -1.893) 5.479 34.837 ( -1.947 11.222 -16.428) 19.990 ======================= Grid point 88 (36/88) ======================= q-point: ( 0.10 0.17 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.336 ( 18.875 19.273 14.974) 30.853 1.378 ( 8.683 19.996 21.868) 30.878 1.754 ( 11.566 6.316 -10.606) 16.916 1.794 ( 5.044 7.891 -11.987) 15.212 1.994 ( 22.207 18.986 6.328) 29.894 2.560 ( 3.042 -7.351 -2.134) 8.237 2.701 ( 7.066 -1.745 0.854) 7.329 2.838 ( 7.943 -3.018 1.865) 8.699 2.876 ( 15.863 10.217 -9.812) 21.268 2.981 ( 7.187 2.602 -0.545) 7.663 3.077 ( 5.545 8.585 7.220) 12.513 3.158 ( 4.929 10.109 1.810) 11.391 3.315 ( -0.434 7.750 -7.941) 11.105 3.456 ( 2.455 3.632 -2.197) 4.904 3.561 ( -3.757 -11.701 -0.691) 12.309 3.592 ( -4.982 -9.218 8.755) 13.655 3.684 ( 3.309 -8.485 6.548) 11.217 3.785 ( 1.019 -2.332 1.554) 2.982 3.853 ( 0.515 -2.454 -0.083) 2.509 4.006 ( 3.810 -0.515 2.548) 4.612 4.051 ( 4.557 4.671 1.459) 6.687 4.153 ( 2.630 -4.631 -13.891) 14.877 4.232 ( -6.244 3.521 2.297) 7.527 4.397 ( -1.373 1.336 -10.727) 10.897 4.499 ( -3.076 -2.386 -1.272) 4.095 4.580 ( -1.495 2.035 6.991) 7.433 4.891 ( 1.188 -4.623 -6.236) 7.853 4.925 ( -2.239 -4.965 7.673) 9.410 4.937 ( -2.238 -4.376 7.572) 9.028 5.004 ( 4.095 -6.447 -0.532) 7.656 5.256 ( 4.020 5.285 -5.129) 8.390 5.299 ( 5.757 -4.673 -2.668) 7.880 5.327 ( 1.824 4.478 -4.597) 6.671 5.516 ( 10.819 -2.914 -5.622) 12.536 5.591 ( 4.472 2.042 3.418) 5.987 5.748 ( -0.772 0.781 5.308) 5.420 5.897 ( -6.055 3.233 -2.437) 7.284 6.044 ( 6.581 5.756 -3.393) 9.378 6.237 ( -3.883 2.461 3.885) 6.019 6.289 ( -0.994 5.209 0.387) 5.317 6.520 ( 5.506 4.243 0.428) 6.964 6.532 ( 1.856 6.410 1.371) 6.813 6.918 ( -0.781 -11.765 3.472) 12.291 7.106 ( 1.399 -2.442 -5.686) 6.344 7.599 ( -6.062 -6.337 5.822) 10.526 7.711 ( -6.868 -4.819 -1.233) 8.480 8.085 ( -4.539 -12.956 0.563) 13.740 8.222 ( -5.256 -6.838 -3.086) 9.160 8.680 ( -10.182 -2.635 3.489) 11.081 8.838 ( -8.064 -1.608 -3.943) 9.119 8.903 ( -7.882 3.476 -4.435) 9.689 9.138 ( 5.321 -0.024 4.763) 7.141 9.228 ( 0.997 -3.032 -5.054) 5.978 9.295 ( 2.473 -6.911 -2.002) 7.609 9.482 ( -3.469 0.813 7.369) 8.185 9.677 ( -3.537 8.034 -1.354) 8.882 9.734 ( -0.269 3.591 -5.178) 6.307 9.875 ( 3.942 -5.510 -1.636) 6.969 10.123 ( -8.056 -14.622 -0.452) 16.701 10.246 ( -6.298 0.858 7.653) 9.949 10.399 ( 9.871 -16.801 6.132) 20.428 10.610 ( -0.198 -0.973 -0.695) 1.212 10.788 ( -4.630 0.983 1.085) 4.856 10.916 ( 2.138 -5.416 -8.836) 10.582 11.096 ( -1.412 -6.255 1.009) 6.491 11.212 ( -3.929 -5.039 1.125) 6.488 11.291 ( 5.973 2.229 4.647) 7.889 11.458 ( 4.714 -6.494 1.738) 8.211 11.801 ( -0.702 0.124 -0.944) 1.183 11.916 ( -3.160 -7.010 1.600) 7.854 11.992 ( 4.714 6.813 -3.153) 8.864 12.020 ( -2.829 7.196 -0.627) 7.757 12.617 ( 0.973 12.785 0.018) 12.822 12.851 ( 1.147 7.483 1.110) 7.651 12.868 ( 5.286 9.329 -5.560) 12.078 12.917 ( 0.750 5.362 -1.084) 5.521 14.345 ( -2.045 0.764 0.275) 2.200 14.401 ( -0.914 2.062 -0.448) 2.299 14.410 ( -1.762 1.203 -0.452) 2.181 14.495 ( 0.714 5.239 -3.120) 6.139 15.228 ( -3.200 -10.199 8.180) 13.460 15.290 ( -4.482 -7.506 -5.378) 10.264 15.515 ( 0.259 0.745 3.482) 3.570 15.702 ( -3.143 0.074 2.541) 4.043 15.758 ( -8.363 8.536 -1.705) 12.071 15.895 ( -2.380 4.351 -1.401) 5.153 15.977 ( 2.793 1.578 -3.390) 4.667 16.009 ( 1.724 2.729 -0.089) 3.229 16.108 ( -0.194 8.284 -0.627) 8.310 16.203 ( 2.831 7.632 -0.259) 8.145 16.320 ( -6.318 10.334 5.878) 13.464 16.640 ( -5.514 -1.191 -2.909) 6.347 16.925 ( 1.896 -4.270 2.456) 5.278 16.973 ( -0.290 -0.609 -0.386) 0.777 17.104 ( 6.121 -3.981 3.727) 8.198 17.165 ( 4.884 -0.875 -3.480) 6.060 17.983 ( 0.649 -4.572 1.750) 4.938 18.170 ( 2.000 -1.534 -4.341) 5.019 18.405 ( -3.522 -5.886 3.287) 7.606 18.483 ( -2.469 -4.603 0.093) 5.224 21.535 ( -1.302 7.407 1.195) 7.615 21.633 ( -0.097 7.392 -0.210) 7.396 22.016 ( -3.577 1.783 -1.269) 4.193 22.032 ( -2.203 0.295 1.637) 2.761 27.738 ( -1.220 -0.155 6.753) 6.864 27.775 ( -3.260 -3.418 3.889) 6.118 28.125 ( -9.807 4.994 -1.644) 11.127 28.220 ( -13.654 7.075 -7.883) 17.281 29.206 ( 0.722 -0.730 0.781) 1.290 29.233 ( 0.610 -1.358 -0.920) 1.750 29.412 ( -1.931 1.959 1.719) 3.243 29.451 ( -4.961 2.937 -1.348) 5.921 30.299 ( -2.371 0.706 4.346) 5.001 30.374 ( -7.156 -0.771 0.373) 7.207 30.725 ( -3.579 1.883 1.665) 4.373 30.753 ( -4.672 1.343 -1.517) 5.093 31.336 ( 0.910 1.711 2.683) 3.309 31.458 ( 2.547 0.986 -1.348) 3.045 31.802 ( 4.184 -3.051 3.031) 6.000 31.868 ( 2.041 -2.997 -1.261) 3.839 31.945 ( 2.239 2.805 -0.372) 3.609 31.979 ( 2.739 2.346 1.209) 3.804 32.188 ( 7.509 -2.355 -8.221) 11.381 32.303 ( 16.775 -3.030 6.060) 18.092 32.735 ( 7.432 0.137 0.847) 7.481 32.760 ( 5.613 1.157 -3.757) 6.853 33.344 ( 8.343 -14.838 3.494) 17.378 33.366 ( 7.682 -16.835 -1.342) 18.553 34.303 ( -7.385 9.066 4.237) 12.437 34.543 ( -3.318 3.462 1.341) 4.979 34.595 ( -1.208 1.108 -0.495) 1.712 34.766 ( 3.389 6.338 -10.334) 12.588 ======================= Grid point 89 (37/88) ======================= q-point: ( 0.20 0.17 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.642 ( 8.226 9.126 -2.255) 12.492 1.812 ( 20.184 12.320 8.810) 25.235 1.829 ( 14.320 6.975 -1.778) 16.027 1.967 ( 18.151 4.792 -8.484) 20.601 2.461 ( 15.531 6.839 1.105) 17.006 2.621 ( 4.812 -3.760 -4.298) 7.468 2.814 ( 4.235 0.924 3.848) 5.796 2.943 ( 1.837 1.424 -1.213) 2.621 3.023 ( 5.039 2.222 -0.428) 5.524 3.170 ( 3.804 9.447 -2.863) 10.579 3.220 ( 12.778 5.910 1.504) 14.159 3.325 ( 7.722 14.138 -1.543) 16.183 3.445 ( 0.035 -12.464 2.164) 12.650 3.525 ( 3.372 -0.333 3.273) 4.711 3.561 ( 14.142 2.164 -7.419) 16.116 3.640 ( 10.601 1.432 7.745) 13.207 3.727 ( -0.415 1.397 4.015) 4.271 3.757 ( 2.075 -7.657 1.146) 8.016 3.926 ( 4.725 -3.492 -0.546) 5.901 4.000 ( -5.968 0.253 2.819) 6.605 4.104 ( 6.199 -5.332 -8.575) 11.848 4.178 ( 3.372 4.560 -1.563) 5.883 4.260 ( -2.317 3.608 -3.818) 5.741 4.307 ( 8.501 3.277 0.141) 9.111 4.456 ( 0.253 -2.396 -2.908) 3.777 4.624 ( 0.989 16.983 3.846) 17.441 4.845 ( -2.222 -3.675 -3.830) 5.754 4.925 ( -0.578 -5.810 3.018) 6.573 4.991 ( 3.075 -6.113 3.084) 7.505 5.051 ( 2.240 -1.772 -6.067) 6.706 5.250 ( 3.226 -0.591 -6.388) 7.181 5.338 ( 1.873 2.143 -1.086) 3.046 5.417 ( 5.989 -4.807 3.344) 8.376 5.666 ( 6.291 -0.636 -1.273) 6.450 5.694 ( 4.546 -0.728 -6.520) 7.981 5.765 ( -3.315 -2.833 4.669) 6.389 5.832 ( 1.849 6.813 8.326) 10.915 6.103 ( 0.167 2.344 0.682) 2.447 6.243 ( -0.690 2.142 6.230) 6.624 6.302 ( 4.208 3.349 -3.115) 6.215 6.605 ( 2.984 0.558 5.399) 6.194 6.613 ( 3.129 4.511 2.525) 6.042 6.911 ( -0.666 -10.381 -0.890) 10.440 7.081 ( 0.689 -4.146 -5.955) 7.289 7.470 ( -10.853 -5.288 2.659) 12.362 7.540 ( -9.914 0.009 0.489) 9.926 7.976 ( -6.401 -11.565 -2.978) 13.550 8.063 ( -8.467 -8.702 -0.755) 12.165 8.480 ( -9.848 -2.311 -5.629) 11.576 8.639 ( -12.070 -2.993 0.487) 12.445 8.728 ( -6.947 2.487 0.247) 7.383 9.141 ( -7.480 -4.816 3.761) 9.659 9.195 ( 0.571 -2.350 -5.272) 5.800 9.357 ( 1.032 -1.525 0.621) 1.943 9.491 ( 2.154 1.966 2.996) 4.181 9.599 ( -3.983 10.958 0.078) 11.660 9.695 ( -0.458 3.359 -3.306) 4.736 9.900 ( -0.584 -4.762 -4.317) 6.454 10.012 ( -0.158 -10.857 -2.061) 11.052 10.194 ( -4.615 1.282 6.769) 8.292 10.557 ( 1.760 -10.551 4.543) 11.621 10.642 ( 3.628 -8.392 2.995) 9.621 10.697 ( -5.254 3.715 2.970) 7.087 10.898 ( 2.720 -5.060 -9.394) 11.011 11.045 ( -2.659 -7.394 -2.155) 8.147 11.174 ( -1.425 -3.573 0.479) 3.877 11.435 ( 1.739 -1.716 3.926) 4.624 11.511 ( 2.113 -6.130 0.078) 6.484 11.757 ( -2.699 -0.358 -2.563) 3.739 11.854 ( -3.813 -8.096 1.880) 9.145 11.985 ( 0.281 10.516 0.689) 10.542 12.085 ( 4.003 2.873 -0.066) 4.928 12.658 ( 3.248 11.823 -0.251) 12.263 12.856 ( -0.291 6.526 0.517) 6.553 12.925 ( 3.959 9.778 -2.052) 10.747 12.947 ( 3.423 9.524 -2.904) 10.529 14.301 ( -2.150 -0.013 -0.051) 2.151 14.352 ( -1.434 0.070 -2.576) 2.949 14.393 ( -1.179 2.828 0.790) 3.164 14.507 ( 0.808 1.712 0.879) 2.087 15.176 ( -2.246 -4.975 -3.521) 6.496 15.226 ( -3.272 -5.074 6.544) 8.904 15.552 ( -0.103 -3.872 0.115) 3.875 15.579 ( -6.338 9.911 3.242) 12.203 15.722 ( -0.787 -0.747 3.268) 3.444 15.854 ( -1.244 2.488 -1.272) 3.058 15.978 ( -1.491 1.599 0.960) 2.388 16.035 ( 2.371 3.720 -2.761) 5.204 16.130 ( 2.867 4.962 -0.874) 5.797 16.261 ( 3.531 6.777 -0.145) 7.643 16.333 ( 1.647 8.200 3.520) 9.074 16.502 ( -4.484 2.651 -4.398) 6.818 16.918 ( -1.703 0.904 1.308) 2.330 17.027 ( 2.330 -5.133 0.142) 5.639 17.220 ( 2.384 -4.511 1.360) 5.280 17.222 ( 3.519 -3.151 2.198) 5.210 18.017 ( 1.465 -6.191 0.336) 6.371 18.154 ( 0.214 -1.568 -5.097) 5.337 18.346 ( -5.025 -6.529 3.289) 8.871 18.444 ( -2.406 -3.949 1.976) 5.029 21.527 ( 0.066 6.191 0.147) 6.193 21.632 ( 0.075 7.268 0.251) 7.272 21.930 ( -3.799 0.591 -2.282) 4.471 21.991 ( -3.248 0.143 1.442) 3.556 27.700 ( -4.814 0.256 -3.449) 5.928 27.734 ( -3.714 -1.201 2.544) 4.659 27.929 ( -9.800 4.374 4.208) 11.528 27.934 ( -11.903 4.820 -2.922) 13.171 29.226 ( 0.847 -1.028 -0.053) 1.333 29.238 ( 0.777 -0.648 -0.790) 1.283 29.381 ( -2.377 1.451 0.428) 2.818 29.381 ( -2.535 1.379 1.221) 3.133 30.271 ( -3.174 0.735 -1.429) 3.558 30.288 ( -0.576 0.326 1.322) 1.479 30.627 ( -6.265 1.049 -2.576) 6.854 30.675 ( -3.958 0.578 2.381) 4.655 31.398 ( 3.526 1.699 2.409) 4.596 31.519 ( 4.763 1.018 -1.197) 5.016 31.898 ( 1.644 -3.357 0.135) 3.741 31.927 ( 4.451 -2.975 1.841) 5.661 32.015 ( 6.356 2.057 -2.205) 7.035 32.062 ( 4.592 2.113 2.817) 5.786 32.223 ( 3.060 0.510 -3.874) 4.963 32.689 ( 14.733 -5.240 8.535) 17.815 32.761 ( 2.979 2.009 -6.828) 7.715 32.946 ( 9.589 1.931 0.373) 9.788 33.445 ( 6.828 -10.702 0.251) 12.698 33.578 ( 10.151 -7.030 -1.282) 12.413 34.155 ( -9.385 9.194 2.096) 13.305 34.475 ( -4.185 2.362 -0.606) 4.843 34.587 ( -0.099 -4.994 -0.292) 5.004 34.766 ( 1.840 0.284 -2.426) 3.058 ======================= Grid point 90 (38/88) ======================= q-point: ( 0.30 0.17 -0.75) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.844 ( 17.412 4.881 -2.395) 18.241 2.144 ( 14.167 5.272 4.937) 15.902 2.195 ( 16.272 6.844 0.561) 17.661 2.294 ( 20.787 2.155 -6.091) 21.768 2.558 ( 0.102 5.599 -5.017) 7.519 2.712 ( 7.568 -2.278 -1.251) 8.001 2.900 ( 1.261 -0.127 1.672) 2.098 2.964 ( -0.026 0.294 6.029) 6.036 3.067 ( -0.279 6.576 -2.025) 6.887 3.244 ( -0.591 9.135 5.486) 10.672 3.269 ( 3.606 -0.570 -5.476) 6.582 3.364 ( -4.677 -3.508 -1.855) 6.133 3.502 ( 6.334 5.303 -3.063) 8.810 3.535 ( -2.931 -1.411 0.212) 3.260 3.595 ( 1.271 6.095 3.908) 7.351 3.771 ( 1.574 -7.342 1.028) 7.579 3.890 ( -1.305 0.420 -2.239) 2.625 3.951 ( 3.329 1.327 1.819) 4.018 4.006 ( 6.618 2.117 -2.613) 7.424 4.091 ( 8.412 -1.978 2.328) 8.950 4.199 ( 14.650 3.710 -3.455) 15.502 4.227 ( 5.814 -0.593 -1.991) 6.174 4.309 ( 6.059 3.546 9.591) 11.885 4.405 ( 4.903 1.230 -4.028) 6.464 4.522 ( 3.304 2.454 4.999) 6.475 4.635 ( 0.217 14.697 -3.682) 15.153 4.790 ( 1.283 -1.025 -3.751) 4.095 4.957 ( 3.062 1.471 1.981) 3.932 4.999 ( -1.172 -0.370 -3.720) 3.918 5.111 ( 7.768 -4.060 -1.970) 8.984 5.309 ( 6.322 1.320 -4.576) 7.915 5.405 ( 6.981 -4.391 -1.002) 8.308 5.549 ( 3.396 -6.048 5.898) 9.104 5.661 ( -1.197 -0.295 0.400) 1.296 5.741 ( 2.840 0.905 -2.044) 3.615 5.785 ( 2.356 -3.518 -3.478) 5.479 5.932 ( 0.932 3.448 2.398) 4.302 6.109 ( 0.285 0.571 3.374) 3.433 6.292 ( 0.511 -0.829 6.630) 6.701 6.372 ( 3.626 2.448 -0.319) 4.387 6.670 ( -0.349 1.286 4.620) 4.808 6.693 ( 1.790 -1.977 3.582) 4.466 6.891 ( 0.617 -7.572 -3.506) 8.367 7.047 ( 0.394 -3.903 -5.169) 6.489 7.284 ( -8.719 -1.182 0.324) 8.805 7.359 ( -9.627 0.358 1.271) 9.717 7.810 ( -8.261 -6.220 -0.630) 10.360 7.915 ( -6.768 -12.431 -2.676) 14.405 8.254 ( -6.844 -1.324 -8.984) 11.371 8.439 ( -10.041 -3.222 5.003) 11.672 8.636 ( -5.975 2.243 5.396) 8.357 9.011 ( -7.680 -5.683 2.250) 9.816 9.171 ( 0.742 0.002 -3.776) 3.849 9.329 ( -1.235 -1.252 -2.878) 3.373 9.479 ( -4.755 7.326 0.662) 8.759 9.613 ( 2.914 1.942 1.374) 3.762 9.656 ( -2.120 3.986 -0.932) 4.610 9.840 ( -1.244 -4.787 -2.757) 5.663 10.041 ( 2.360 -1.733 -0.238) 2.938 10.195 ( 0.247 -2.288 5.061) 5.560 10.572 ( -1.311 2.616 0.691) 3.006 10.651 ( -0.581 -3.212 1.150) 3.461 10.762 ( 4.077 -13.866 4.049) 15.009 10.865 ( 0.219 -4.556 -6.090) 7.609 10.989 ( -1.793 -7.319 -0.240) 7.539 11.127 ( -4.349 -1.618 -0.497) 4.667 11.372 ( -5.231 -9.406 -1.978) 10.943 11.580 ( 1.909 -0.355 1.623) 2.531 11.680 ( -2.864 -1.099 -1.770) 3.542 11.821 ( -0.833 -9.654 0.073) 9.690 12.010 ( 1.084 5.804 1.268) 6.039 12.135 ( 1.587 4.661 -0.604) 4.961 12.725 ( 3.602 10.378 0.081) 10.986 12.858 ( 0.056 8.894 0.419) 8.904 12.982 ( 1.925 9.052 2.140) 9.498 12.998 ( 4.582 10.708 -3.808) 12.254 14.273 ( -0.704 -0.957 -0.318) 1.230 14.320 ( -0.472 -0.718 -0.723) 1.123 14.378 ( -0.891 1.920 0.304) 2.138 14.525 ( 0.304 0.901 0.655) 1.155 15.143 ( 1.228 -3.523 -2.592) 4.543 15.232 ( -0.885 -2.104 4.811) 5.325 15.486 ( -4.103 7.808 0.083) 8.821 15.520 ( -4.145 -3.734 -0.602) 5.612 15.738 ( -0.370 0.944 2.847) 3.022 15.842 ( 0.526 0.044 0.225) 0.574 15.948 ( -3.135 2.811 2.814) 5.064 16.055 ( 2.120 3.130 -3.111) 4.896 16.190 ( 3.587 3.334 -0.201) 4.902 16.323 ( 2.932 4.436 -0.465) 5.338 16.405 ( 3.273 8.235 2.457) 9.196 16.424 ( -0.936 2.926 -2.950) 4.259 16.911 ( -0.229 2.105 1.408) 2.543 17.040 ( 0.314 -3.409 -1.736) 3.838 17.233 ( -0.012 -5.690 -1.204) 5.816 17.301 ( 1.414 -3.552 3.392) 5.111 18.018 ( -0.724 -5.594 -2.046) 6.001 18.131 ( 1.185 -2.467 -3.020) 4.076 18.276 ( -4.853 -6.020 3.214) 8.374 18.416 ( -2.391 -4.154 1.821) 5.127 21.545 ( 1.956 4.213 -0.255) 4.652 21.642 ( 0.627 6.268 0.565) 6.325 21.850 ( -2.612 -0.366 -2.377) 3.550 21.934 ( -3.952 0.615 1.281) 4.199 27.567 ( -4.957 1.828 -4.256) 6.784 27.620 ( -5.397 -0.334 -5.095) 7.429 27.774 ( -6.258 3.791 3.448) 8.089 27.828 ( -5.896 1.612 5.268) 8.070 29.235 ( 0.861 -0.573 -1.084) 1.498 29.251 ( 0.750 -1.034 -0.239) 1.300 29.345 ( -1.627 1.083 0.408) 1.997 29.354 ( -1.588 0.797 1.320) 2.213 30.223 ( -0.485 0.723 -1.619) 1.838 30.307 ( 1.457 -0.613 0.186) 1.592 30.493 ( -5.641 1.040 -1.908) 6.045 30.610 ( -4.817 -0.675 2.065) 5.285 31.499 ( 5.172 1.658 2.261) 5.883 31.610 ( 5.557 1.003 -1.227) 5.778 31.900 ( -1.433 -2.608 -0.281) 2.989 31.952 ( -1.005 -1.033 -1.508) 2.086 32.152 ( 6.874 -0.963 1.070) 7.023 32.199 ( 6.002 -0.704 5.321) 8.052 32.287 ( 6.326 4.689 -0.957) 7.932 32.715 ( -1.052 1.014 -7.619) 7.757 32.962 ( 8.002 -1.887 3.864) 9.084 33.099 ( 6.712 3.910 -1.015) 7.834 33.600 ( 7.827 -6.528 2.690) 10.541 33.730 ( 7.560 -0.610 -3.429) 8.324 34.028 ( -5.929 7.746 4.980) 10.952 34.370 ( -5.696 0.225 -1.900) 6.009 34.586 ( 1.063 -9.017 -1.932) 9.283 34.786 ( 0.292 -3.136 1.020) 3.311 ======================= Grid point 91 (39/88) ======================= q-point: ( 0.40 0.17 -0.75) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.187 ( 14.495 1.123 4.871) 15.333 2.409 ( 8.305 0.826 -1.121) 8.421 2.422 ( 10.850 7.696 -0.113) 13.303 2.528 ( 1.617 6.988 -0.081) 7.173 2.585 ( 11.749 -0.701 -3.959) 12.418 2.841 ( 8.269 -2.803 -2.886) 9.196 2.897 ( -0.569 1.096 0.862) 1.506 2.999 ( -3.765 4.072 -1.780) 5.825 3.042 ( 0.347 1.123 6.756) 6.857 3.247 ( 2.116 3.652 0.377) 4.238 3.268 ( -3.326 2.581 -2.666) 4.983 3.318 ( -5.037 1.242 5.791) 7.775 3.435 ( -2.295 0.564 2.342) 3.327 3.569 ( 1.810 4.803 -4.190) 6.626 3.696 ( 7.083 4.159 0.583) 8.234 3.780 ( -2.749 3.149 0.977) 4.293 3.821 ( -1.869 1.682 -0.894) 2.669 3.961 ( -1.042 4.784 -1.748) 5.198 4.081 ( 1.982 0.297 3.339) 3.894 4.134 ( 2.962 -5.031 0.218) 5.842 4.283 ( -3.187 -1.603 -0.767) 3.649 4.302 ( -2.635 -1.136 2.360) 3.715 4.464 ( 2.423 3.183 -0.079) 4.001 4.502 ( 5.578 -0.977 1.449) 5.845 4.575 ( 0.213 10.018 -2.574) 10.345 4.714 ( 4.895 -2.826 6.757) 8.809 4.863 ( 8.357 5.377 -1.680) 10.079 4.942 ( -2.631 2.818 -0.081) 3.856 5.084 ( 6.368 6.523 0.543) 9.133 5.257 ( 9.802 -4.678 -4.616) 11.801 5.411 ( 7.437 1.678 -4.766) 8.991 5.560 ( 9.306 -3.582 -3.547) 10.584 5.603 ( 0.951 -3.552 1.438) 3.948 5.717 ( 3.928 2.080 2.659) 5.179 5.739 ( 1.345 -2.547 -8.142) 8.637 5.771 ( 0.055 -6.033 -3.201) 6.830 5.920 ( 0.236 1.106 -4.659) 4.795 6.106 ( -5.181 1.196 2.030) 5.692 6.348 ( 1.884 -2.447 2.776) 4.153 6.428 ( -0.906 1.115 7.305) 7.445 6.661 ( -3.073 -3.530 3.635) 5.926 6.723 ( -0.147 -0.291 0.600) 0.683 6.885 ( 1.086 -4.234 -2.426) 4.999 7.021 ( 0.803 -3.185 -5.325) 6.256 7.154 ( -5.749 1.108 0.534) 5.879 7.222 ( -5.851 -0.011 1.676) 6.086 7.692 ( -4.253 -5.695 1.517) 7.268 7.782 ( -3.725 -10.270 -2.244) 11.153 8.121 ( -1.494 -0.407 -4.515) 4.774 8.366 ( -3.858 -4.252 10.017) 11.545 8.561 ( -6.066 1.635 4.016) 7.457 8.905 ( -4.500 -5.519 0.162) 7.123 9.177 ( 2.326 2.297 -1.516) 3.604 9.286 ( -1.486 -2.598 -1.582) 3.385 9.418 ( -1.456 7.748 0.207) 7.886 9.601 ( -1.884 3.269 -2.481) 4.516 9.639 ( -1.248 -0.163 1.068) 1.650 9.814 ( 0.888 -2.739 -4.236) 5.122 10.076 ( -0.460 3.289 4.651) 5.715 10.274 ( 3.662 -6.428 3.506) 8.186 10.559 ( 1.094 0.007 -2.078) 2.348 10.649 ( 0.929 -1.997 -2.558) 3.375 10.778 ( -3.580 -6.029 -2.506) 7.446 10.876 ( 2.418 -8.091 1.078) 8.513 10.988 ( -0.726 -7.602 1.881) 7.865 11.009 ( -5.086 -0.766 2.027) 5.529 11.284 ( -2.452 -12.110 -0.972) 12.394 11.587 ( -0.705 0.433 -2.391) 2.530 11.636 ( -0.858 -2.601 -0.226) 2.749 11.805 ( -0.251 -10.498 -2.474) 10.789 12.036 ( 0.599 2.887 1.188) 3.179 12.142 ( 0.248 5.974 -1.254) 6.109 12.785 ( 2.456 9.303 0.505) 9.635 12.864 ( 0.100 10.365 0.587) 10.382 13.022 ( 0.144 8.933 2.750) 9.347 13.054 ( 3.569 10.337 -2.104) 11.136 14.267 ( 0.216 -1.104 -0.148) 1.135 14.323 ( 0.421 -0.894 1.466) 1.768 14.363 ( -0.715 1.226 -0.277) 1.446 14.526 ( -0.224 0.629 -0.743) 0.998 15.180 ( 4.254 -2.227 -1.483) 5.025 15.254 ( -0.320 -0.128 2.834) 2.855 15.393 ( -5.379 3.023 -1.116) 6.271 15.435 ( -2.669 -0.975 -3.135) 4.231 15.757 ( -0.238 1.562 4.005) 4.305 15.861 ( 0.531 0.796 1.361) 1.664 15.907 ( -3.050 2.164 2.313) 4.397 16.069 ( 1.719 2.706 -2.854) 4.292 16.250 ( 2.429 2.736 0.413) 3.681 16.352 ( 0.967 2.018 -1.665) 2.789 16.419 ( 1.666 3.526 -0.488) 3.930 16.477 ( 2.162 8.029 1.814) 8.510 16.923 ( -0.048 2.436 1.693) 2.967 17.029 ( 0.383 -2.199 -2.096) 3.062 17.215 ( -0.435 -6.317 -1.443) 6.494 17.321 ( -0.605 -2.386 0.051) 2.462 17.994 ( 0.098 -4.181 -0.774) 4.254 18.134 ( 0.306 -4.592 -1.691) 4.903 18.225 ( -2.543 -4.923 3.006) 6.304 18.380 ( -2.102 -4.394 0.147) 4.874 21.591 ( 2.604 2.221 0.062) 3.423 21.658 ( 0.498 4.680 0.358) 4.720 21.804 ( -0.469 -0.226 -1.508) 1.596 21.864 ( -4.151 1.538 0.762) 4.491 27.484 ( -1.475 1.608 -0.783) 2.318 27.524 ( -1.578 0.548 -1.364) 2.157 27.694 ( -4.096 2.350 0.155) 4.725 27.760 ( -4.462 0.872 1.778) 4.882 29.245 ( 0.944 -0.479 -0.762) 1.304 29.259 ( 0.429 -1.101 -0.521) 1.292 29.324 ( -0.920 1.021 0.388) 1.428 29.338 ( -1.138 0.547 1.083) 1.664 30.229 ( 1.568 0.358 0.089) 1.611 30.333 ( 1.343 -1.570 -0.745) 2.196 30.403 ( -2.660 1.198 -0.184) 2.923 30.527 ( -4.893 -1.011 0.593) 5.032 31.618 ( 5.578 1.176 1.806) 5.980 31.700 ( 4.672 1.192 -1.395) 5.020 31.838 ( -4.991 -1.387 0.609) 5.215 31.910 ( -1.348 -0.540 -2.071) 2.530 32.250 ( 2.896 -1.502 1.106) 3.444 32.338 ( 3.187 -2.286 6.734) 7.793 32.439 ( 8.748 5.500 -0.027) 10.333 32.611 ( -3.254 1.224 -6.396) 7.280 33.070 ( 2.262 0.238 0.586) 2.349 33.180 ( 3.385 6.426 -2.653) 7.733 33.751 ( 5.263 -3.127 0.860) 6.182 33.787 ( 1.824 3.223 -1.844) 4.136 34.027 ( 0.362 4.739 5.595) 7.341 34.256 ( -4.351 -2.379 -0.939) 5.047 34.597 ( 0.532 -11.433 0.090) 11.445 34.784 ( -0.124 -3.934 -1.669) 4.275 ======================= Grid point 92 (40/88) ======================= q-point: (-0.50 0.17 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.349 ( -2.206 1.987 2.958) 4.191 2.469 ( 0.289 2.243 -0.436) 2.303 2.502 ( 0.808 2.871 1.264) 3.240 2.621 ( 2.197 4.033 0.942) 4.688 2.735 ( 6.649 3.358 -1.716) 7.644 2.870 ( -0.372 -0.773 0.278) 0.902 2.954 ( -1.449 -1.226 3.455) 3.942 3.024 ( 0.662 -0.700 3.594) 3.721 3.043 ( -1.947 2.766 -3.150) 4.622 3.120 ( -2.025 6.210 -1.168) 6.636 3.223 ( -4.198 3.205 -3.692) 6.444 3.268 ( -3.929 1.600 5.668) 7.079 3.464 ( 3.569 2.602 -0.544) 4.450 3.632 ( 6.454 1.838 -1.987) 6.999 3.726 ( -3.035 4.446 4.304) 6.892 3.797 ( -0.127 3.301 -0.974) 3.444 3.827 ( 4.520 2.184 1.997) 5.403 3.958 ( -0.070 5.205 4.365) 6.794 4.081 ( -5.542 -3.209 0.599) 6.432 4.191 ( 2.531 1.551 2.992) 4.215 4.236 ( -1.621 1.362 -6.711) 7.037 4.267 ( 2.673 -1.124 2.271) 3.683 4.457 ( -0.416 3.638 -0.561) 3.705 4.547 ( -1.710 1.968 0.097) 2.609 4.607 ( 2.043 -2.045 4.458) 5.313 4.823 ( 3.135 -2.113 3.468) 5.131 4.839 ( -4.599 2.082 0.777) 5.108 5.014 ( 1.529 7.950 5.059) 9.547 5.147 ( 1.300 4.695 -2.290) 5.383 5.331 ( 1.503 -4.769 -8.701) 10.036 5.453 ( -0.604 0.185 -3.794) 3.847 5.537 ( -2.435 -0.730 -13.962) 14.191 5.641 ( 0.732 -2.265 1.981) 3.097 5.715 ( -1.060 -2.739 -3.710) 4.731 5.764 ( 1.684 -2.515 -1.992) 3.623 5.804 ( -0.692 -1.889 -2.528) 3.230 5.910 ( 1.044 -0.664 -0.933) 1.550 5.988 ( 0.425 -0.164 -5.549) 5.567 6.376 ( -3.661 2.232 5.367) 6.870 6.459 ( -2.721 -4.488 11.441) 12.587 6.619 ( -4.854 0.525 0.822) 4.951 6.716 ( 0.634 0.051 1.866) 1.972 6.900 ( 3.189 -2.352 -3.338) 5.181 6.981 ( 0.778 -3.956 -7.876) 8.848 7.120 ( 2.231 0.281 1.206) 2.552 7.153 ( -2.141 0.621 0.626) 2.315 7.668 ( -0.409 -5.658 2.231) 6.096 7.764 ( 1.984 -11.204 -0.896) 11.414 8.145 ( 4.404 -0.368 4.542) 6.337 8.402 ( -0.328 -3.640 0.689) 3.719 8.492 ( -3.584 1.002 10.076) 10.741 8.843 ( -1.261 -5.154 -2.147) 5.724 9.231 ( 2.123 1.793 0.740) 2.875 9.258 ( 1.130 -2.016 -1.157) 2.585 9.423 ( 0.840 9.278 1.426) 9.424 9.561 ( -0.396 1.786 -1.502) 2.367 9.594 ( -2.327 0.524 -3.241) 4.024 9.808 ( 2.284 -2.669 -4.694) 5.863 10.103 ( -1.086 3.411 6.672) 7.572 10.334 ( -0.147 -8.344 1.695) 8.516 10.566 ( -0.383 -5.520 -0.669) 5.573 10.633 ( -4.159 -1.856 -3.003) 5.455 10.729 ( 5.299 1.219 -2.677) 6.061 10.820 ( -3.655 2.121 -3.473) 5.469 10.976 ( 0.616 -11.209 4.143) 11.966 11.084 ( 3.498 -11.652 4.802) 13.079 11.261 ( -0.160 -8.232 1.210) 8.321 11.527 ( -1.592 1.824 -6.306) 6.755 11.642 ( 0.800 -4.048 1.231) 4.306 11.772 ( -0.494 -10.563 -4.168) 11.366 12.046 ( -0.664 1.868 1.444) 2.452 12.135 ( 0.503 6.388 -1.884) 6.679 12.822 ( 0.737 9.217 0.990) 9.299 12.865 ( -0.459 9.945 0.461) 9.966 13.025 ( -1.834 8.999 2.108) 9.422 13.096 ( 1.985 9.999 -0.739) 10.221 14.277 ( 0.462 -1.268 0.681) 1.512 14.343 ( -0.158 1.272 -1.589) 2.042 14.357 ( 0.431 -0.796 3.717) 3.825 14.504 ( -0.698 0.627 -2.409) 2.586 15.240 ( -2.518 1.001 1.550) 3.122 15.265 ( 0.607 -1.758 0.168) 1.868 15.296 ( 0.100 1.050 -1.887) 2.162 15.389 ( 1.441 0.217 -4.263) 4.505 15.785 ( -0.832 1.995 4.641) 5.119 15.865 ( -2.276 3.827 3.515) 5.673 15.890 ( 0.710 -0.990 0.113) 1.224 16.076 ( 1.579 2.191 -3.111) 4.120 16.278 ( -0.113 2.365 0.882) 2.527 16.344 ( -0.028 1.465 -2.251) 2.686 16.458 ( 1.511 4.172 1.385) 4.649 16.503 ( -0.413 6.700 0.636) 6.743 16.927 ( -0.851 2.016 1.660) 2.747 17.027 ( 1.039 -1.691 -2.039) 2.845 17.207 ( 0.197 -4.633 -0.173) 4.640 17.286 ( -1.768 -1.910 -2.573) 3.660 18.018 ( 1.897 -4.507 1.692) 5.175 18.108 ( -0.920 -5.186 -2.581) 5.865 18.234 ( 0.434 -4.560 3.627) 5.843 18.344 ( -1.105 -4.381 -1.442) 4.743 21.619 ( -0.885 2.555 0.959) 2.869 21.670 ( 1.498 1.526 -1.088) 2.400 21.786 ( -2.530 2.038 0.855) 3.360 21.828 ( 2.125 1.096 -0.837) 2.533 27.496 ( 2.155 1.688 2.067) 3.430 27.547 ( 3.006 0.378 2.682) 4.046 27.624 ( -1.983 1.923 -2.697) 3.861 27.686 ( -3.155 0.678 -2.070) 3.834 29.254 ( 0.168 -0.698 -0.476) 0.861 29.260 ( 0.384 -0.686 -0.641) 1.015 29.319 ( -0.017 0.824 0.667) 1.060 29.326 ( -0.729 0.603 0.553) 1.095 30.265 ( 0.682 0.155 1.861) 1.988 30.353 ( 1.038 -1.334 -0.309) 1.718 30.386 ( 0.756 0.399 0.060) 0.857 30.450 ( -2.023 -0.732 -1.171) 2.449 31.703 ( -1.251 0.383 -0.160) 1.318 31.741 ( -0.351 1.298 -0.936) 1.638 31.763 ( 0.243 -0.024 2.295) 2.308 31.888 ( 1.311 -0.766 -2.033) 2.537 32.287 ( -0.154 -1.243 1.886) 2.264 32.404 ( -1.783 -2.045 6.592) 7.128 32.451 ( -3.700 4.223 -5.505) 7.863 32.642 ( 7.233 0.295 -0.172) 7.241 33.076 ( -1.440 2.142 -0.012) 2.581 33.190 ( 0.502 7.248 -3.980) 8.284 33.745 ( -2.588 2.391 -0.082) 3.525 33.846 ( 1.985 4.361 -1.571) 5.043 34.056 ( -1.687 -0.744 5.223) 5.539 34.230 ( 1.859 -3.325 0.001) 3.809 34.589 ( -2.886 -11.734 2.448) 12.329 34.777 ( 2.488 -4.203 -4.184) 6.432 ======================= Grid point 93 (41/88) ======================= q-point: (-0.40 0.17 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.214 ( -12.400 -0.352 4.681) 13.258 2.426 ( -9.804 3.235 -1.189) 10.392 2.439 ( -7.632 1.788 -0.479) 7.853 2.590 ( -5.984 3.789 -1.027) 7.157 2.676 ( -11.103 0.755 -1.011) 11.175 2.794 ( -4.774 5.672 -7.107) 10.270 2.938 ( 3.098 2.770 0.902) 4.253 2.956 ( -5.889 4.899 6.404) 9.984 2.985 ( 1.959 3.492 -0.828) 4.089 3.169 ( -5.138 4.256 4.441) 8.014 3.218 ( 8.965 -2.330 -0.033) 9.263 3.381 ( 8.522 3.139 0.979) 9.134 3.487 ( 0.631 -2.120 -1.339) 2.586 3.656 ( -1.024 1.409 -3.872) 4.245 3.716 ( -4.456 2.767 6.505) 8.356 3.766 ( -2.991 0.748 -1.975) 3.661 3.872 ( -9.641 0.920 -1.531) 9.805 3.943 ( 3.367 1.809 2.668) 4.661 4.092 ( 4.197 -0.226 -0.749) 4.269 4.162 ( 1.171 2.575 -1.003) 3.001 4.250 ( -1.745 4.427 2.738) 5.490 4.286 ( -2.126 11.533 -3.202) 12.157 4.446 ( -3.699 2.838 1.817) 5.004 4.548 ( -0.262 -3.967 1.968) 4.436 4.601 ( -7.237 -5.942 11.116) 14.534 4.786 ( 0.636 1.419 -3.833) 4.136 4.858 ( -2.353 -3.633 -2.797) 5.153 5.044 ( -0.588 6.016 10.328) 11.967 5.133 ( 3.183 1.191 -8.770) 9.406 5.261 ( -1.412 4.474 -2.755) 5.440 5.340 ( -4.173 -1.967 -7.135) 8.497 5.439 ( -1.879 -2.920 -5.683) 6.660 5.528 ( -8.806 1.563 -5.915) 10.723 5.609 ( -8.322 -6.384 -1.090) 10.545 5.704 ( -1.610 -0.975 -0.916) 2.094 5.772 ( -2.114 0.542 0.953) 2.381 5.863 ( -3.177 -1.995 -0.603) 3.800 6.102 ( 7.833 -2.703 -2.480) 8.650 6.324 ( -5.322 0.290 5.070) 7.356 6.397 ( -11.275 6.269 10.753) 16.794 6.594 ( 1.865 -3.312 -1.363) 4.038 6.737 ( -1.948 -0.655 2.255) 3.052 6.930 ( 1.730 -2.019 -2.321) 3.530 6.997 ( 7.026 -3.875 -6.816) 10.528 7.171 ( 3.752 -0.724 1.029) 3.957 7.224 ( 6.516 -0.303 1.325) 6.656 7.705 ( 3.398 -5.587 1.516) 6.713 7.804 ( 3.733 -11.912 -2.829) 12.800 8.302 ( 1.691 -2.380 -1.118) 3.127 8.370 ( 6.647 0.092 2.596) 7.136 8.611 ( 3.779 -2.720 13.169) 13.968 8.824 ( 1.926 -4.480 -4.330) 6.522 9.229 ( 0.175 -3.160 -1.605) 3.549 9.326 ( 3.873 3.546 -1.937) 5.597 9.453 ( 0.550 9.334 2.694) 9.730 9.524 ( -2.352 0.862 0.195) 2.513 9.581 ( 4.480 1.542 -4.273) 6.381 9.833 ( 3.694 -4.011 -3.352) 6.401 10.141 ( -1.182 1.722 8.725) 8.972 10.301 ( -4.183 -9.240 0.166) 10.144 10.459 ( -5.551 -2.013 -4.978) 7.723 10.593 ( -0.291 -3.913 1.303) 4.135 10.709 ( -2.936 3.670 -0.815) 4.770 10.911 ( 10.189 -0.433 -2.407) 10.478 11.030 ( 1.609 -11.029 4.352) 11.966 11.145 ( 1.988 -16.479 -3.598) 16.984 11.300 ( 0.515 -0.266 6.612) 6.638 11.456 ( 0.294 1.118 -6.695) 6.794 11.680 ( 1.953 -4.711 1.835) 5.420 11.730 ( -0.183 -9.401 -4.336) 10.355 12.033 ( -1.812 3.282 1.487) 4.033 12.135 ( 0.790 5.049 -1.702) 5.387 12.825 ( -1.587 9.520 1.753) 9.809 12.851 ( -1.035 9.068 -0.559) 9.144 12.989 ( -2.863 8.723 0.700) 9.208 13.113 ( 0.008 9.926 -0.175) 9.927 14.291 ( 0.225 -1.165 1.293) 1.755 14.323 ( -0.148 1.138 -2.055) 2.353 14.402 ( 0.679 -0.492 4.056) 4.141 14.471 ( -0.247 0.924 -2.978) 3.128 15.171 ( -4.194 1.172 -0.649) 4.403 15.208 ( -2.347 1.894 1.018) 3.184 15.384 ( 4.879 -0.942 0.080) 4.970 15.428 ( 5.117 -0.602 -2.874) 5.899 15.778 ( -2.563 1.411 2.812) 4.058 15.870 ( -0.121 1.831 3.501) 3.952 15.906 ( 0.256 1.478 1.176) 1.906 16.084 ( 1.926 1.882 -3.598) 4.494 16.253 ( -3.113 1.675 0.630) 3.590 16.326 ( -0.230 3.867 -1.317) 4.092 16.466 ( -2.362 4.808 0.522) 5.382 16.499 ( 0.542 4.110 0.873) 4.237 16.921 ( -0.973 0.889 1.822) 2.249 17.029 ( 0.623 -1.460 -2.503) 2.964 17.192 ( -2.295 -2.935 -1.207) 3.916 17.252 ( 0.444 -1.667 -0.091) 1.728 18.048 ( -0.735 -5.625 -1.417) 5.847 18.100 ( 2.765 -4.479 -0.217) 5.268 18.287 ( 1.814 -5.141 4.481) 7.057 18.322 ( 0.458 -4.185 -2.147) 4.726 21.586 ( -2.393 2.836 0.061) 3.711 21.664 ( -2.195 4.236 0.437) 4.791 21.784 ( 2.735 -0.405 -1.187) 3.009 21.886 ( 3.604 1.064 0.366) 3.776 27.560 ( -0.187 0.855 -3.761) 3.862 27.584 ( 2.535 0.994 0.626) 2.793 27.629 ( 1.951 2.449 -1.489) 3.467 27.688 ( 7.111 1.146 4.404) 8.443 29.242 ( -0.755 -0.707 -0.760) 1.283 29.261 ( -0.044 -0.808 -0.523) 0.964 29.324 ( 0.153 1.091 0.395) 1.170 29.335 ( 0.918 0.658 1.073) 1.558 30.276 ( -0.723 0.112 1.961) 2.093 30.301 ( -3.267 -0.292 -2.641) 4.211 30.453 ( 2.982 -0.391 -2.189) 3.719 30.477 ( 5.808 -0.518 2.630) 6.397 31.610 ( -6.442 1.126 1.675) 6.751 31.686 ( -3.967 0.958 -1.155) 4.241 31.833 ( 3.114 -0.666 0.538) 3.229 31.918 ( 2.562 -0.952 -1.960) 3.363 32.260 ( -4.594 0.814 2.078) 5.107 32.348 ( -5.123 2.033 -0.685) 5.555 32.394 ( -2.698 -0.371 5.775) 6.385 32.719 ( 2.251 -4.309 -7.125) 8.625 33.036 ( -3.277 4.804 2.642) 6.387 33.143 ( -2.340 6.090 -3.529) 7.417 33.677 ( -5.448 1.050 1.997) 5.897 33.819 ( -1.763 8.435 -3.697) 9.377 34.082 ( -0.970 -5.612 8.331) 10.092 34.278 ( 3.771 -2.249 -3.352) 5.524 34.530 ( -3.766 -8.126 0.275) 8.960 34.823 ( 4.391 -6.018 -1.415) 7.583 ======================= Grid point 94 (42/88) ======================= q-point: (-0.30 0.17 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.908 ( -25.459 1.828 2.457) 25.642 2.050 ( -25.397 5.214 -4.634) 26.338 2.242 ( -8.137 2.771 0.541) 8.613 2.408 ( -7.716 4.554 1.784) 9.135 2.561 ( -0.266 4.582 -8.440) 9.607 2.733 ( -3.583 1.306 -0.497) 3.846 2.864 ( -7.082 0.195 2.976) 7.684 2.967 ( 0.786 4.107 0.697) 4.239 3.039 ( -5.605 5.939 3.892) 9.046 3.157 ( 5.454 3.822 -1.056) 6.743 3.335 ( -5.045 10.823 -6.265) 13.485 3.378 ( 0.169 -8.639 -0.013) 8.640 3.505 ( -6.520 -5.266 -0.478) 8.395 3.573 ( -7.705 -3.639 -2.200) 8.801 3.623 ( -6.786 7.133 5.571) 11.312 3.679 ( -5.971 5.920 5.698) 10.157 3.729 ( 2.869 -0.615 -0.057) 2.934 3.932 ( -5.654 0.276 -2.560) 6.213 3.984 ( -12.047 -1.965 -2.339) 12.428 4.160 ( -1.871 3.845 -1.971) 4.708 4.192 ( -3.251 1.402 1.312) 3.776 4.243 ( -4.433 7.488 -0.054) 8.702 4.346 ( -5.406 2.556 0.041) 5.980 4.474 ( -2.032 13.677 1.659) 13.926 4.625 ( -2.749 -1.802 -3.847) 5.060 4.770 ( 0.132 -6.456 10.763) 12.552 4.786 ( -4.336 -6.937 -1.746) 8.365 5.053 ( -5.321 3.959 4.919) 8.257 5.136 ( 4.027 -0.454 -17.730) 18.187 5.189 ( -3.156 -2.528 -2.693) 4.858 5.320 ( -6.541 -0.902 -2.032) 6.909 5.362 ( -0.826 -5.329 -4.338) 6.921 5.402 ( 6.438 0.064 4.416) 7.807 5.460 ( -3.042 0.790 -0.609) 3.201 5.665 ( -3.037 -1.882 2.215) 4.204 5.769 ( 0.017 -1.289 2.361) 2.690 5.834 ( 0.766 0.558 1.736) 1.978 6.139 ( -3.170 1.830 0.490) 3.693 6.285 ( -0.527 -0.408 1.528) 1.667 6.299 ( -7.122 6.698 8.255) 12.796 6.570 ( -4.222 -1.661 0.158) 4.540 6.703 ( -3.211 1.162 4.001) 5.260 6.920 ( -0.890 -6.139 -3.128) 6.947 7.093 ( 6.851 -2.900 -5.502) 9.253 7.267 ( 4.547 -4.814 2.068) 6.938 7.375 ( 8.830 -0.541 0.638) 8.870 7.847 ( 10.776 -5.328 0.515) 12.032 7.869 ( 5.428 -11.176 -2.487) 12.671 8.274 ( 3.484 0.522 -7.556) 8.337 8.599 ( 9.433 -3.108 5.579) 11.391 8.801 ( 6.980 -3.593 8.583) 11.631 8.854 ( 5.119 -4.559 -4.877) 8.413 9.221 ( 1.101 -3.342 -3.823) 5.196 9.332 ( 0.242 3.184 -4.306) 5.361 9.493 ( 1.016 7.531 4.004) 8.589 9.537 ( 1.912 1.413 2.705) 3.601 9.647 ( 5.109 2.271 -4.026) 6.890 9.891 ( 4.464 -6.301 -2.308) 8.060 10.153 ( -8.800 -3.621 -1.873) 9.699 10.187 ( -2.622 -4.354 9.510) 10.783 10.394 ( 2.636 -0.038 -4.666) 5.359 10.591 ( -2.786 -7.619 4.430) 9.243 10.677 ( -0.414 5.768 1.810) 6.059 11.047 ( 5.872 -5.159 -3.617) 8.613 11.078 ( 0.951 -8.698 -4.038) 9.636 11.140 ( 1.936 -7.261 -0.859) 7.563 11.338 ( -0.583 -3.485 3.724) 5.134 11.454 ( 1.192 -0.956 -0.479) 1.602 11.707 ( 1.333 -7.961 -3.339) 8.735 11.747 ( 3.443 -3.454 1.778) 5.191 12.008 ( -1.818 5.285 1.462) 5.777 12.134 ( 0.027 3.978 -0.881) 4.074 12.789 ( -3.886 9.965 2.830) 11.064 12.815 ( -1.614 8.875 -2.610) 9.390 12.941 ( -1.964 7.545 -0.410) 7.807 13.090 ( -2.050 9.834 -1.030) 10.098 14.303 ( 0.663 1.043 -0.581) 1.365 14.315 ( 0.460 -0.202 -0.037) 0.504 14.417 ( -0.024 0.219 -1.303) 1.322 14.476 ( 0.986 0.759 1.698) 2.105 15.098 ( -2.625 0.377 -0.871) 2.791 15.216 ( 1.735 5.608 3.335) 6.751 15.470 ( 3.815 -1.351 1.485) 4.311 15.500 ( 3.598 -1.648 -1.895) 4.388 15.753 ( -1.887 -1.028 2.573) 3.352 15.898 ( 0.741 3.609 1.760) 4.083 15.915 ( -0.217 1.848 1.175) 2.201 16.091 ( 1.904 2.511 -4.075) 5.151 16.180 ( -4.676 2.357 0.241) 5.242 16.309 ( -1.583 6.708 0.127) 6.894 16.417 ( -2.601 3.984 0.747) 4.816 16.519 ( 1.805 2.205 -0.772) 2.953 16.924 ( -0.469 -0.894 2.283) 2.497 17.006 ( -0.779 -0.584 -2.733) 2.902 17.133 ( -2.618 -4.482 -0.283) 5.198 17.276 ( 0.548 -0.021 2.467) 2.527 18.008 ( -1.194 -4.787 -2.950) 5.749 18.147 ( 1.714 -4.969 -0.918) 5.336 18.340 ( 3.002 -4.530 -1.005) 5.527 18.368 ( 2.804 -5.491 4.813) 7.821 21.542 ( -1.933 3.932 -0.323) 4.394 21.621 ( -2.387 6.280 0.506) 6.737 21.842 ( 4.158 -1.259 -1.782) 4.696 21.958 ( 3.436 0.794 0.784) 3.612 27.542 ( 1.204 0.767 -3.733) 3.996 27.557 ( 0.194 0.531 -3.489) 3.535 27.784 ( 9.637 5.621 3.106) 11.581 27.882 ( 9.661 1.701 3.455) 10.401 29.219 ( -0.944 -0.645 -0.640) 1.310 29.251 ( -0.447 -1.396 -0.565) 1.571 29.338 ( 0.928 1.847 0.474) 2.121 29.366 ( 1.412 0.813 1.130) 1.983 30.226 ( -2.167 0.279 -2.396) 3.243 30.275 ( -0.768 -0.240 1.060) 1.331 30.506 ( 4.470 0.725 -2.115) 4.998 30.614 ( 6.170 -0.673 2.160) 6.572 31.504 ( -6.430 1.710 2.693) 7.178 31.593 ( -4.411 0.944 -1.574) 4.777 31.867 ( 0.249 -1.276 -0.164) 1.311 31.936 ( 0.449 -1.588 -1.185) 2.031 32.175 ( -5.531 3.259 2.366) 6.841 32.214 ( -8.807 1.586 0.563) 8.966 32.423 ( 0.159 -0.610 7.178) 7.206 32.600 ( -6.432 -6.525 -11.410) 14.633 32.983 ( -4.935 3.071 1.178) 5.930 33.062 ( -4.516 5.229 0.361) 6.919 33.568 ( -7.378 -2.831 1.534) 8.050 33.741 ( -4.819 4.468 -1.479) 6.736 34.134 ( 0.450 -4.951 5.911) 7.724 34.321 ( 4.249 -0.419 -3.564) 5.562 34.485 ( -0.011 -2.553 -1.408) 2.915 34.908 ( 4.783 -6.964 0.377) 8.457 ======================= Grid point 95 (43/88) ======================= q-point: (-0.20 0.17 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.365 ( -28.863 12.587 -2.965) 31.627 1.518 ( -28.607 9.104 2.006) 30.087 2.080 ( -9.421 6.419 -2.994) 11.787 2.364 ( -4.194 1.463 6.587) 7.944 2.443 ( -16.822 10.511 0.664) 19.847 2.553 ( -6.291 12.510 -8.563) 16.413 2.710 ( -9.469 -2.496 -4.089) 10.612 2.852 ( -10.903 0.569 1.729) 11.054 2.998 ( -0.923 0.297 0.155) 0.982 3.025 ( -10.835 5.788 0.730) 12.306 3.155 ( -17.580 0.712 -0.170) 17.595 3.306 ( 3.027 9.253 -0.653) 9.757 3.432 ( -3.351 -3.778 4.544) 6.794 3.480 ( -1.662 -9.773 1.212) 9.987 3.552 ( -0.959 -4.960 -3.106) 5.930 3.679 ( -7.395 3.376 6.229) 10.241 3.693 ( -4.666 -4.447 2.107) 6.781 3.837 ( -5.213 5.002 -1.756) 7.435 3.863 ( -0.631 -2.675 -3.102) 4.144 4.012 ( -8.543 5.120 0.062) 9.960 4.088 ( -4.477 5.683 1.060) 7.312 4.177 ( -0.094 -1.495 -2.345) 2.782 4.256 ( -2.127 9.100 -5.783) 10.990 4.474 ( -2.508 7.311 3.495) 8.483 4.543 ( -0.168 6.954 -3.176) 7.647 4.721 ( 0.209 -7.713 -3.194) 8.351 4.801 ( -6.838 -7.289 5.593) 11.453 4.966 ( -2.518 -4.429 -2.910) 5.867 5.077 ( -2.010 -0.992 -4.337) 4.882 5.133 ( 1.828 2.814 -1.044) 3.514 5.160 ( -8.493 -2.612 2.601) 9.258 5.338 ( 3.216 -8.715 -8.651) 12.694 5.409 ( -3.152 3.154 -0.047) 4.460 5.575 ( 2.180 2.590 -1.702) 3.789 5.654 ( 0.141 -4.357 0.449) 4.382 5.774 ( -0.611 -2.637 6.546) 7.084 5.938 ( 6.316 -2.023 1.331) 6.764 6.079 ( -1.799 9.492 0.880) 9.701 6.204 ( -7.295 2.006 4.129) 8.619 6.318 ( 0.191 5.088 5.075) 7.188 6.484 ( -3.921 0.278 0.001) 3.931 6.666 ( -5.063 1.443 4.920) 7.206 6.854 ( -2.982 -11.123 -2.459) 11.775 7.136 ( 2.484 0.033 -6.080) 6.568 7.391 ( 6.578 -7.821 3.185) 10.705 7.562 ( 10.286 -3.258 0.352) 10.795 7.962 ( 5.503 -10.459 -0.714) 11.840 8.069 ( 11.620 -5.882 -2.199) 13.208 8.360 ( 10.569 2.727 -3.357) 11.420 8.777 ( 7.700 -1.700 -1.293) 7.991 8.913 ( 5.240 -2.497 -3.439) 6.746 8.992 ( 5.685 -6.172 5.011) 9.773 9.216 ( 1.713 -2.991 -2.848) 4.471 9.320 ( 1.625 1.716 -2.107) 3.167 9.534 ( -1.041 5.088 2.600) 5.807 9.589 ( 0.142 0.310 3.339) 3.357 9.695 ( 4.106 2.151 -5.328) 7.062 9.950 ( 0.513 -9.393 0.707) 9.433 9.966 ( -3.414 2.210 -7.612) 8.631 10.222 ( -2.238 -7.069 10.524) 12.874 10.452 ( 5.462 0.945 -2.614) 6.129 10.552 ( -4.967 -8.880 5.507) 11.569 10.722 ( 1.979 3.742 4.250) 5.999 11.015 ( 0.948 1.272 -10.217) 10.339 11.090 ( 1.343 -14.777 -3.351) 15.212 11.190 ( 0.459 -5.296 3.436) 6.330 11.348 ( -0.585 -2.601 2.324) 3.537 11.442 ( -3.589 -3.151 2.104) 5.219 11.731 ( 3.196 -3.816 -1.932) 5.339 11.827 ( 2.982 -5.298 1.156) 6.188 12.000 ( 0.372 6.858 1.253) 6.981 12.126 ( 0.092 4.730 -0.474) 4.754 12.729 ( -4.693 11.287 3.129) 12.618 12.752 ( -1.994 8.977 -4.374) 10.183 12.918 ( 0.029 5.707 -0.865) 5.773 13.017 ( -3.983 9.502 -2.929) 10.711 14.313 ( 1.297 0.576 -1.207) 1.863 14.342 ( 1.701 1.618 1.024) 2.562 14.416 ( 2.186 1.994 -2.704) 4.008 14.500 ( 0.047 0.795 1.266) 1.496 15.069 ( -0.341 -1.305 1.037) 1.701 15.327 ( 6.895 6.179 3.607) 9.936 15.527 ( 0.963 -0.542 -0.224) 1.128 15.553 ( 2.973 0.396 2.675) 4.019 15.747 ( -1.279 -1.691 3.182) 3.824 15.912 ( 0.058 3.615 0.675) 3.678 15.934 ( 2.310 2.080 -1.468) 3.437 16.085 ( -2.712 1.756 -1.663) 3.634 16.099 ( -0.425 5.506 -1.959) 5.859 16.258 ( -3.567 8.449 -0.034) 9.171 16.400 ( -0.252 5.815 3.304) 6.693 16.561 ( 4.271 -1.329 -4.096) 6.065 16.928 ( -0.897 -3.176 1.800) 3.759 16.985 ( 0.429 1.109 -0.042) 1.190 17.093 ( -2.807 -6.638 2.516) 7.634 17.294 ( -0.903 0.791 2.107) 2.425 17.971 ( -0.810 -4.135 -0.708) 4.273 18.153 ( 1.006 -3.924 -3.204) 5.164 18.409 ( 3.940 -5.752 0.786) 7.017 18.455 ( 2.545 -5.571 3.527) 7.068 21.513 ( -0.729 6.290 -0.191) 6.335 21.587 ( -1.497 7.017 0.534) 7.195 21.910 ( 4.342 -0.685 -1.361) 4.601 22.021 ( 2.535 0.894 0.533) 2.740 27.546 ( 1.767 1.087 -0.088) 2.076 27.572 ( 2.322 0.417 -0.136) 2.363 28.017 ( 13.601 10.364 1.186) 17.141 28.082 ( 9.823 3.424 -0.340) 10.409 29.199 ( -0.781 -0.533 -0.211) 0.969 29.239 ( -0.456 -1.933 -0.425) 2.031 29.365 ( 1.459 2.566 0.909) 3.088 29.405 ( 2.227 1.781 0.716) 2.940 30.192 ( -0.099 0.718 -0.487) 0.873 30.264 ( -0.910 -0.427 0.433) 1.094 30.589 ( 5.555 1.815 -0.849) 5.905 30.727 ( 4.498 -0.304 0.614) 4.550 31.411 ( -5.615 1.810 2.860) 6.557 31.508 ( -3.117 1.031 -1.591) 3.648 31.841 ( -2.928 -1.875 0.592) 3.526 31.919 ( -1.450 -1.095 -0.078) 1.818 32.048 ( -8.176 1.541 -0.611) 8.342 32.094 ( -5.208 3.824 2.707) 7.006 32.349 ( -10.791 -4.697 -8.722) 14.649 32.492 ( 0.853 -1.243 7.186) 7.343 32.869 ( -6.668 -0.949 -0.051) 6.736 32.965 ( -6.560 3.369 -0.047) 7.375 33.427 ( -8.809 -10.155 -0.229) 13.445 33.591 ( -10.319 -7.204 -1.029) 12.627 34.191 ( 2.461 0.387 2.450) 3.494 34.400 ( 5.544 3.137 -0.222) 6.373 34.507 ( 3.271 1.816 -1.627) 4.080 34.992 ( 4.247 -6.718 -2.188) 8.244 ======================= Grid point 96 (44/88) ======================= q-point: (-0.10 0.17 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.912 ( -17.163 22.330 10.031) 29.896 1.067 ( -22.048 20.760 11.489) 32.390 1.842 ( -22.010 23.069 9.859) 33.374 1.927 ( -20.726 21.373 0.135) 29.772 2.219 ( -12.516 7.632 -6.029) 15.851 2.493 ( -1.397 -0.991 -3.201) 3.631 2.555 ( 3.293 6.311 -12.163) 14.093 2.753 ( -3.270 -4.415 1.747) 5.765 2.844 ( -7.640 3.715 2.065) 8.742 2.921 ( -4.972 -10.315 6.121) 12.984 2.998 ( -3.173 1.642 -3.870) 5.268 3.292 ( -2.249 5.167 -0.603) 5.668 3.405 ( -4.533 -2.382 3.618) 6.269 3.447 ( -5.127 -2.333 6.980) 8.970 3.519 ( -2.981 -3.623 -3.245) 5.704 3.565 ( 3.341 -4.730 5.408) 7.923 3.673 ( -1.374 2.668 -1.790) 3.495 3.702 ( -5.000 -3.343 -0.738) 6.060 3.828 ( -0.920 2.335 2.505) 3.546 3.959 ( -0.515 3.265 1.485) 3.623 4.046 ( -2.248 4.914 -1.640) 5.647 4.094 ( -0.842 2.819 -1.766) 3.431 4.310 ( 6.264 2.228 -1.351) 6.784 4.426 ( -1.355 2.672 -2.419) 3.850 4.631 ( 7.131 -1.315 1.840) 7.481 4.644 ( -5.075 -4.864 1.718) 7.236 4.692 ( -4.216 -3.167 -6.642) 8.481 4.944 ( -1.245 -9.274 1.081) 9.419 5.008 ( -4.343 -1.708 2.024) 5.087 5.039 ( -4.075 1.159 1.313) 4.436 5.197 ( 2.947 8.618 -5.403) 10.590 5.243 ( -8.389 -10.628 0.999) 13.577 5.382 ( 1.500 5.858 -6.513) 8.887 5.491 ( -5.327 0.906 -0.388) 5.418 5.619 ( -3.777 -4.096 -1.833) 5.866 5.787 ( -6.015 -5.296 7.223) 10.789 5.966 ( 2.302 8.447 -8.932) 12.507 6.121 ( -3.474 -0.199 0.338) 3.497 6.169 ( 6.066 2.752 7.112) 9.745 6.348 ( -0.593 9.037 2.746) 9.463 6.437 ( -1.464 3.367 -0.141) 3.674 6.562 ( -6.466 -0.541 -2.251) 6.868 6.821 ( -0.754 -10.311 5.121) 11.537 7.123 ( 1.670 1.081 -5.719) 6.055 7.534 ( 4.303 -8.735 5.311) 11.092 7.739 ( 7.312 -6.169 -0.543) 9.582 8.057 ( 3.990 -10.868 1.687) 11.700 8.226 ( 7.638 -4.758 -3.898) 9.806 8.588 ( 12.830 4.724 0.791) 13.695 8.873 ( 3.867 -4.568 -3.334) 6.851 8.995 ( 5.894 -2.061 0.488) 6.263 9.081 ( 3.061 -2.489 -1.631) 4.269 9.252 ( 0.163 -1.922 1.953) 2.745 9.366 ( 2.814 1.815 4.255) 5.415 9.398 ( -9.176 -1.520 -6.673) 11.447 9.621 ( -0.329 1.106 6.514) 6.615 9.746 ( 4.275 3.715 -3.057) 6.436 9.867 ( -1.577 7.271 -3.062) 8.046 9.994 ( 3.804 -10.299 -3.437) 11.504 10.259 ( -2.810 -11.404 10.682) 15.877 10.449 ( -7.694 -3.698 6.358) 10.644 10.575 ( 6.532 -4.339 -4.648) 9.116 10.775 ( 0.890 0.235 1.885) 2.098 10.994 ( 2.353 3.045 -7.279) 8.233 11.072 ( -0.413 -16.337 0.769) 16.360 11.199 ( -0.338 -1.116 1.954) 2.276 11.337 ( -5.111 -1.313 3.718) 6.455 11.375 ( -3.215 -7.676 2.428) 8.669 11.786 ( 3.392 1.518 -0.824) 3.806 11.852 ( -0.027 -6.381 -0.027) 6.381 12.012 ( -1.378 1.822 0.851) 2.438 12.164 ( 5.104 3.782 -4.203) 7.617 12.667 ( -3.862 11.724 1.892) 12.488 12.696 ( 0.315 13.060 -3.151) 13.438 12.892 ( -3.262 7.883 -3.126) 9.086 12.938 ( -0.313 6.000 -0.859) 6.070 14.335 ( 1.325 -0.110 0.371) 1.380 14.374 ( 0.677 1.592 0.923) 1.961 14.470 ( 6.339 5.383 -5.986) 10.247 14.494 ( -1.122 1.176 -0.146) 1.632 15.101 ( 1.666 -5.167 3.964) 6.722 15.455 ( 2.721 -8.610 -1.950) 9.238 15.537 ( -1.562 2.039 4.817) 5.459 15.657 ( 5.634 6.414 0.215) 8.540 15.768 ( 4.114 4.664 0.525) 6.241 15.927 ( 1.412 3.405 -0.057) 3.686 15.970 ( 3.338 2.293 -3.721) 5.499 16.003 ( -3.934 2.602 -0.229) 4.723 16.106 ( 1.604 6.107 -1.528) 6.496 16.193 ( -2.757 9.959 -0.426) 10.343 16.510 ( 10.187 7.017 5.722) 13.629 16.606 ( 4.617 -3.882 -5.523) 8.179 16.930 ( -1.206 -4.344 2.480) 5.145 17.005 ( -1.421 -2.090 0.552) 2.587 17.044 ( -2.704 -4.915 1.086) 5.714 17.246 ( -5.249 0.261 -2.885) 5.996 17.978 ( 0.214 -3.615 3.213) 4.841 18.149 ( 1.909 -2.480 -4.286) 5.307 18.475 ( 0.301 -7.912 1.473) 8.053 18.499 ( 1.196 -4.325 0.285) 4.497 21.526 ( 1.602 9.580 1.889) 9.895 21.576 ( 0.097 6.600 0.652) 6.632 21.984 ( 3.875 0.326 0.238) 3.895 22.060 ( 1.361 1.583 0.164) 2.094 27.622 ( 2.905 0.148 4.186) 5.098 27.637 ( 2.718 -1.886 7.867) 8.534 28.217 ( 6.069 3.778 -3.082) 7.785 28.347 ( 22.109 15.457 -6.684) 27.793 29.189 ( -0.361 -0.487 0.384) 0.717 29.229 ( -0.184 -2.136 -0.315) 2.167 29.403 ( 1.120 2.444 1.541) 3.099 29.492 ( 8.319 5.060 -0.375) 9.744 30.219 ( 1.651 1.126 2.563) 3.250 30.272 ( 2.339 -0.071 4.479) 5.053 30.694 ( 4.972 2.052 0.816) 5.441 30.787 ( 1.950 0.495 -0.726) 2.139 31.343 ( -3.623 1.716 2.668) 4.816 31.459 ( -0.801 1.274 -1.386) 2.046 31.786 ( -3.215 -2.826 2.056) 4.748 31.895 ( -0.623 0.550 0.385) 0.916 31.915 ( -4.532 -1.073 -1.608) 4.927 32.021 ( -4.364 4.035 2.404) 6.411 32.112 ( -7.866 -1.532 -3.765) 8.854 32.546 ( -0.072 -0.992 4.229) 4.344 32.728 ( -12.882 -2.490 -11.452) 17.415 32.801 ( -7.137 -4.074 -0.788) 8.256 33.137 ( -22.177 -22.491 7.413) 32.444 33.417 ( -5.718 -12.292 0.170) 13.558 34.268 ( 2.938 7.364 4.049) 8.902 34.510 ( 5.072 2.681 0.824) 5.796 34.564 ( 4.002 5.889 -2.127) 7.431 34.994 ( 0.048 -2.081 -11.254) 11.445 ======================= Grid point 97 (45/88) ======================= q-point: ( 0.00 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.414 ( 3.773 22.149 11.667) 25.316 1.629 ( 3.188 30.094 13.405) 33.099 1.879 ( -1.420 5.245 -10.240) 11.592 2.176 ( -7.055 8.931 -2.413) 11.634 2.259 ( -1.119 10.039 -0.277) 10.105 2.401 ( 0.945 1.982 2.438) 3.281 2.545 ( -0.205 -4.378 -1.043) 4.505 2.725 ( 1.581 5.507 12.432) 13.688 2.823 ( 3.454 4.930 -2.038) 6.355 2.964 ( 2.267 7.415 -2.703) 8.211 3.151 ( -2.498 -15.857 5.045) 16.827 3.209 ( 2.497 4.397 0.591) 5.091 3.371 ( -3.861 7.695 -2.469) 8.956 3.395 ( -1.058 0.406 -0.416) 1.207 3.407 ( 3.416 -7.788 -1.591) 8.652 3.488 ( 3.676 -0.978 -0.667) 3.862 3.627 ( -5.137 6.223 0.549) 8.088 3.680 ( 3.416 -3.511 1.101) 5.021 3.851 ( -2.416 -0.931 2.217) 3.409 3.924 ( 1.783 -3.202 -5.480) 6.592 3.961 ( 1.330 -1.950 0.834) 2.504 4.229 ( 2.664 2.567 0.658) 3.758 4.258 ( -1.792 -9.574 3.168) 10.242 4.405 ( -2.171 -7.372 -5.537) 9.472 4.495 ( -3.778 4.961 -0.404) 6.248 4.566 ( 0.085 1.539 0.489) 1.617 4.712 ( 0.356 -2.506 2.407) 3.493 4.840 ( 1.548 -1.515 -3.291) 3.940 4.955 ( -0.472 1.804 3.387) 3.866 4.992 ( 0.607 -6.192 0.692) 6.260 5.137 ( 1.776 8.285 0.675) 8.500 5.304 ( 1.689 -2.355 -9.955) 10.368 5.381 ( -1.577 3.056 -2.477) 4.239 5.581 ( 0.803 8.834 -4.616) 10.000 5.642 ( -0.726 8.377 2.545) 8.785 5.744 ( 2.114 4.304 1.289) 4.966 6.054 ( -4.338 0.031 0.308) 4.349 6.081 ( 2.079 0.600 -0.091) 2.165 6.243 ( -5.616 -6.211 3.184) 8.958 6.433 ( 3.232 -12.711 -1.374) 13.187 6.466 ( -0.671 7.766 3.744) 8.648 6.518 ( 2.247 4.219 3.445) 5.892 6.880 ( -0.689 8.936 1.694) 9.121 7.069 ( 0.239 -1.678 -6.878) 7.083 7.474 ( 0.737 -3.448 7.165) 7.985 7.650 ( -1.587 -6.031 0.398) 6.249 7.838 ( -0.545 -14.004 2.293) 14.201 8.106 ( 2.426 -12.790 -8.067) 15.314 8.831 ( -3.312 4.610 -1.755) 5.942 8.965 ( 9.742 0.678 -1.106) 9.828 9.036 ( -2.416 -1.553 -2.712) 3.950 9.069 ( 4.471 -4.282 -0.287) 6.198 9.178 ( 0.720 1.416 -3.819) 4.136 9.183 ( -9.075 4.788 -0.508) 10.273 9.456 ( 0.141 -1.707 9.846) 9.993 9.656 ( 1.323 -2.117 1.928) 3.154 9.731 ( 2.712 -10.392 3.515) 11.300 9.821 ( 3.172 -10.823 2.804) 11.621 9.896 ( -4.899 2.792 -1.368) 5.802 10.039 ( -2.407 -9.194 -1.083) 9.566 10.403 ( -2.690 4.054 0.473) 4.889 10.549 ( 2.708 -3.483 -5.370) 6.950 10.747 ( 1.470 -1.098 -0.826) 2.012 10.853 ( 2.160 -4.364 0.184) 4.873 11.012 ( -4.552 -0.679 4.185) 6.221 11.143 ( -4.079 -5.885 3.478) 7.961 11.258 ( 1.839 2.449 0.010) 3.063 11.346 ( 3.130 0.347 -0.820) 3.254 11.775 ( 2.431 -4.194 -0.443) 4.868 11.790 ( -0.363 -2.050 -1.076) 2.343 12.023 ( -2.362 0.134 1.452) 2.775 12.086 ( 0.183 -4.144 -1.213) 4.322 12.854 ( -1.243 9.667 1.568) 9.872 12.948 ( 2.868 6.174 -1.554) 6.983 13.002 ( 0.500 5.740 -0.104) 5.762 13.028 ( -1.055 4.144 -0.496) 4.305 14.375 ( 0.478 1.712 1.406) 2.266 14.455 ( -0.893 4.509 2.415) 5.192 14.465 ( -0.663 -1.032 -2.133) 2.461 14.570 ( 1.942 -0.070 -2.336) 3.039 15.072 ( 0.292 -1.320 2.261) 2.634 15.225 ( -0.739 -8.185 -3.769) 9.042 15.580 ( -3.074 3.018 4.010) 5.886 15.676 ( -1.182 -1.526 2.203) 2.929 15.932 ( 2.547 1.999 -4.610) 5.633 15.958 ( 0.850 0.698 -3.695) 3.855 16.047 ( -0.086 6.249 1.320) 6.387 16.173 ( 1.573 6.516 -2.281) 7.080 16.285 ( 4.111 7.308 -1.848) 8.587 16.350 ( -2.206 7.330 -1.284) 7.762 16.569 ( 2.010 -1.069 -1.334) 2.639 16.646 ( -7.604 -2.660 -4.280) 9.122 16.839 ( 0.891 -0.442 3.512) 3.650 16.871 ( 2.171 -2.147 3.684) 4.785 17.056 ( -0.003 -1.920 -2.578) 3.215 17.102 ( -0.270 -1.379 -5.115) 5.304 17.944 ( -1.881 0.890 2.810) 3.497 18.129 ( 3.441 -2.004 -5.290) 6.621 18.299 ( -3.320 -6.483 3.556) 8.105 18.395 ( -1.152 -6.833 -0.889) 6.986 21.708 ( -0.778 6.315 2.106) 6.702 21.759 ( 1.239 6.269 1.733) 6.621 22.044 ( 0.209 0.561 1.450) 1.569 22.100 ( -0.561 0.509 -0.679) 1.017 27.696 ( 0.634 0.181 5.889) 5.926 27.703 ( 0.495 -0.520 7.544) 7.578 28.340 ( -0.633 5.363 -5.716) 7.863 28.535 ( -0.759 -2.703 -13.308) 13.601 29.181 ( 0.133 -0.403 0.614) 0.746 29.195 ( 0.347 -1.244 0.257) 1.317 29.485 ( -0.114 3.503 -0.558) 3.549 29.597 ( -0.430 -1.130 -6.757) 6.865 30.297 ( 0.752 1.311 5.516) 5.720 30.376 ( 1.481 -3.126 5.261) 6.297 30.799 ( 0.266 2.086 1.021) 2.337 30.828 ( 0.286 0.836 -0.316) 0.938 31.368 ( -1.276 2.821 3.011) 4.319 31.458 ( -0.871 -0.632 1.030) 1.490 31.706 ( 0.025 -0.879 0.159) 0.894 31.789 ( 0.232 -3.791 -2.228) 4.404 31.951 ( 1.162 1.863 0.938) 2.387 32.026 ( 2.138 -1.559 0.161) 2.651 32.066 ( 1.982 0.910 -2.920) 3.645 32.098 ( -10.157 -0.153 -3.807) 10.848 32.600 ( 3.021 1.414 3.652) 4.946 32.709 ( 2.906 -3.440 1.336) 4.697 32.893 ( -0.218 -1.815 4.919) 5.247 33.087 ( -1.063 -10.741 -2.587) 11.099 34.497 ( -0.781 5.628 5.952) 8.229 34.577 ( -0.154 0.410 2.957) 2.989 34.728 ( 0.251 5.583 -2.437) 6.097 34.909 ( 0.258 -1.466 -9.103) 9.224 ======================= Grid point 98 (46/88) ======================= q-point: ( 0.10 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.650 ( 9.157 12.498 9.993) 18.437 1.763 ( 4.141 12.940 3.786) 14.104 1.924 ( 8.524 15.061 0.900) 17.329 2.072 ( 0.385 13.984 -5.012) 14.860 2.375 ( 11.112 9.607 -2.328) 14.872 2.445 ( 7.053 -2.415 -1.789) 7.667 2.687 ( 10.593 2.366 3.653) 11.453 2.864 ( 4.087 3.958 7.343) 9.289 2.910 ( 7.226 -3.173 -6.384) 10.151 3.070 ( 10.449 2.778 -3.806) 11.462 3.161 ( -0.863 -13.352 7.027) 15.112 3.283 ( 2.843 8.421 -3.022) 9.388 3.338 ( 0.194 -0.321 7.128) 7.138 3.402 ( 7.555 -3.019 1.974) 8.372 3.485 ( 6.319 -2.263 -4.957) 8.344 3.601 ( 1.859 5.732 0.655) 6.061 3.629 ( 9.787 8.564 0.620) 13.020 3.732 ( 1.114 -1.548 -0.864) 2.093 3.808 ( -2.022 -1.912 0.859) 2.912 3.940 ( 2.645 -1.542 -1.479) 3.400 4.073 ( 8.787 -0.292 3.280) 9.384 4.186 ( -1.014 1.068 -7.769) 7.908 4.287 ( -1.538 -6.352 2.675) 7.062 4.294 ( -0.951 -2.334 -8.527) 8.891 4.490 ( -0.027 5.693 3.736) 6.809 4.616 ( 3.226 -5.257 3.481) 7.083 4.736 ( 1.791 -5.420 0.113) 5.709 4.859 ( 3.826 0.060 -2.061) 4.346 4.968 ( -3.038 3.201 4.650) 6.411 5.019 ( 2.921 2.837 -5.183) 6.591 5.207 ( 3.375 -0.863 -2.453) 4.261 5.291 ( 4.981 -2.317 -7.353) 9.178 5.383 ( 1.363 5.462 2.656) 6.224 5.575 ( 3.218 8.412 -4.416) 10.031 5.648 ( 1.458 3.368 -0.403) 3.692 5.809 ( 1.019 4.649 4.262) 6.389 5.950 ( -6.625 -0.107 0.191) 6.628 6.074 ( -4.187 -4.279 4.254) 7.345 6.204 ( 1.099 -1.756 -0.698) 2.186 6.446 ( -1.740 3.152 3.032) 4.708 6.518 ( 5.004 -8.345 -1.024) 9.784 6.609 ( 3.624 2.356 2.051) 4.784 6.825 ( -6.077 7.553 3.471) 10.296 7.028 ( 0.549 -2.081 -6.086) 6.456 7.502 ( -4.143 -3.589 7.104) 8.973 7.577 ( -5.671 -6.397 0.173) 8.550 7.804 ( -3.928 -12.819 0.297) 13.411 8.034 ( -4.000 -12.020 -6.686) 14.324 8.711 ( -8.781 4.963 -0.633) 10.107 8.822 ( -9.487 -0.093 -5.453) 10.942 8.960 ( -10.422 1.333 -0.348) 10.513 9.096 ( -2.130 -7.354 0.064) 7.657 9.171 ( 5.817 -3.685 -4.778) 8.382 9.246 ( 3.346 6.572 5.364) 9.119 9.475 ( -0.338 0.864 4.164) 4.266 9.701 ( -3.217 -4.152 0.265) 5.259 9.776 ( 4.804 -6.548 0.621) 8.145 9.828 ( -0.208 0.313 0.180) 0.416 9.883 ( -5.219 -4.368 -0.876) 6.862 10.021 ( 5.152 -14.548 4.055) 15.957 10.358 ( -1.857 4.985 -0.102) 5.321 10.534 ( -0.889 -4.559 -2.729) 5.388 10.786 ( 0.771 0.252 2.118) 2.268 10.856 ( 1.782 -1.838 -7.643) 8.061 10.983 ( -3.768 -3.265 6.257) 8.001 11.080 ( -3.744 -5.923 0.648) 7.037 11.335 ( 5.024 2.338 3.151) 6.374 11.412 ( 3.701 -0.383 -1.478) 4.004 11.743 ( -2.896 -5.176 -0.838) 5.990 11.776 ( -2.927 -4.624 -0.171) 5.475 12.021 ( 2.795 0.551 0.654) 2.923 12.115 ( 1.853 -0.694 -0.028) 1.978 12.857 ( 0.563 10.417 0.896) 10.471 13.004 ( 2.002 6.219 -1.014) 6.612 13.015 ( 2.335 3.232 -0.949) 4.098 13.037 ( 3.105 5.937 -0.181) 6.702 14.371 ( -2.151 1.552 0.702) 2.744 14.415 ( -2.179 -0.185 -2.489) 3.313 14.457 ( -0.957 3.459 2.695) 4.488 14.568 ( -0.316 0.531 -2.109) 2.198 15.100 ( 0.322 -2.537 3.317) 4.188 15.169 ( -1.385 -4.194 -4.659) 6.420 15.545 ( -2.937 2.022 3.160) 4.765 15.660 ( -2.375 -2.938 2.073) 4.309 15.915 ( -0.286 5.525 -3.204) 6.393 15.976 ( 1.984 1.210 -2.724) 3.581 16.057 ( -0.439 5.795 -0.442) 5.828 16.133 ( -3.419 9.509 -2.376) 10.380 16.262 ( -4.931 4.745 0.657) 6.875 16.334 ( 2.999 6.644 -2.284) 7.640 16.492 ( -2.384 5.326 -0.882) 5.901 16.604 ( -0.510 -2.231 1.300) 2.632 16.846 ( 0.323 -1.395 2.369) 2.768 16.977 ( 1.333 0.042 0.176) 1.346 17.012 ( 1.468 -4.338 2.107) 5.041 17.130 ( 4.461 -3.063 -5.796) 7.930 17.918 ( -2.362 -0.210 2.813) 3.679 18.133 ( 1.438 -2.739 -5.815) 6.586 18.257 ( -4.685 -7.000 4.785) 9.687 18.359 ( -1.809 -6.958 0.624) 7.216 21.700 ( -1.706 7.814 2.093) 8.267 21.780 ( 0.192 5.946 0.333) 5.959 22.023 ( -3.636 -0.613 1.624) 4.030 22.047 ( -3.648 0.433 -1.148) 3.849 27.737 ( -1.326 -0.006 5.686) 5.839 27.742 ( -1.861 -0.473 5.279) 5.617 28.214 ( -8.455 4.015 -3.373) 9.950 28.303 ( -11.787 1.016 -10.233) 15.642 29.193 ( 0.643 -0.419 0.476) 0.903 29.208 ( 0.838 -1.046 -0.052) 1.341 29.457 ( -2.503 2.185 0.325) 3.338 29.494 ( -4.621 0.986 -2.716) 5.450 30.317 ( -2.403 0.992 3.572) 4.419 30.356 ( -4.283 -0.954 1.665) 4.693 30.766 ( -4.162 1.955 0.907) 4.687 30.782 ( -4.553 1.231 -0.937) 4.809 31.384 ( 0.933 2.835 2.501) 3.894 31.469 ( 2.028 -0.249 0.537) 2.113 31.754 ( 4.250 -1.374 0.485) 4.493 31.805 ( 2.724 -3.078 -1.966) 4.556 32.001 ( 3.299 2.680 -1.185) 4.413 32.020 ( 2.328 1.711 -0.468) 2.927 32.141 ( 8.151 -1.833 -2.728) 8.788 32.223 ( 12.721 -4.550 4.509) 14.243 32.747 ( 7.516 1.303 -0.411) 7.639 32.789 ( 8.979 1.373 -3.866) 9.872 33.068 ( 12.337 -9.682 5.073) 16.483 33.114 ( 6.895 -9.138 -1.616) 11.561 34.462 ( -7.217 5.985 5.005) 10.628 34.568 ( -3.747 -0.144 4.714) 6.024 34.665 ( -4.365 4.822 -2.795) 7.080 34.817 ( -2.228 -0.828 -7.974) 8.321 ======================= Grid point 99 (47/88) ======================= q-point: ( 0.20 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.809 ( 8.077 8.504 -0.884) 11.762 1.963 ( 9.814 6.082 -0.468) 11.556 2.081 ( 13.152 12.148 1.615) 17.976 2.207 ( 10.329 14.724 5.016) 18.672 2.520 ( 9.876 0.755 -3.494) 10.503 2.610 ( 5.286 0.949 -5.090) 7.399 2.790 ( 3.044 -5.518 -5.535) 8.388 2.992 ( 4.278 -4.154 3.066) 6.705 3.011 ( 4.823 0.592 1.454) 5.072 3.139 ( 3.682 -7.972 -1.119) 8.852 3.305 ( 1.014 0.617 1.458) 1.880 3.396 ( 7.284 -1.797 0.249) 7.507 3.431 ( 10.556 12.779 0.128) 16.576 3.547 ( 5.496 -3.916 -2.973) 7.375 3.620 ( 9.277 2.441 -1.398) 9.694 3.685 ( -1.765 4.548 -0.344) 4.890 3.756 ( 10.405 3.233 11.094) 15.549 3.857 ( 4.514 -1.734 -1.205) 4.983 3.886 ( 15.776 11.701 -2.349) 19.782 3.962 ( 0.494 1.639 0.982) 1.974 4.123 ( 2.299 4.574 -0.562) 5.150 4.177 ( -0.302 -0.318 -4.540) 4.561 4.301 ( 6.996 -7.576 1.998) 10.504 4.376 ( 8.445 0.340 0.572) 8.471 4.534 ( 3.917 12.595 -3.226) 13.579 4.680 ( -0.233 -6.390 3.754) 7.414 4.811 ( 4.881 -3.502 0.115) 6.009 4.896 ( -0.661 -1.722 -1.706) 2.512 4.959 ( 4.836 -0.750 1.290) 5.061 5.092 ( 8.496 9.591 -3.922) 13.400 5.158 ( -0.839 -0.135 -4.656) 4.733 5.360 ( 0.028 2.614 -3.614) 4.461 5.410 ( 1.832 0.264 1.011) 2.109 5.647 ( 4.188 0.851 0.169) 4.277 5.670 ( 1.253 1.455 -2.039) 2.801 5.791 ( -4.767 2.173 3.557) 6.333 5.903 ( 1.375 -1.106 2.853) 3.355 6.027 ( -3.840 -8.922 4.857) 10.860 6.244 ( 2.043 -0.408 1.256) 2.432 6.441 ( -0.572 3.432 1.517) 3.795 6.605 ( 4.218 -3.821 0.287) 5.699 6.684 ( 3.739 -3.122 -0.939) 4.961 6.747 ( -4.854 5.386 4.893) 8.747 6.990 ( 0.080 -1.918 -5.478) 5.805 7.405 ( -9.612 -0.678 4.217) 10.518 7.478 ( -6.312 -7.035 2.498) 9.777 7.710 ( -4.670 -10.743 -2.746) 12.032 7.867 ( -8.641 -11.285 -4.185) 14.817 8.486 ( -11.327 2.489 -4.675) 12.504 8.611 ( -10.636 -0.257 -2.324) 10.890 8.791 ( -7.486 4.037 2.870) 8.977 9.018 ( -6.931 -6.977 2.531) 10.155 9.201 ( 3.174 1.093 -6.698) 7.493 9.284 ( -1.760 -3.577 3.774) 5.489 9.567 ( 4.228 6.072 2.124) 7.697 9.620 ( -3.942 -5.983 -0.167) 7.167 9.739 ( -2.318 -9.266 -6.288) 11.435 9.817 ( -2.836 3.638 0.676) 4.662 9.897 ( 4.919 -0.607 1.927) 5.318 10.147 ( 2.339 -9.733 5.257) 11.306 10.351 ( 1.350 0.803 1.015) 1.870 10.508 ( -0.059 -5.798 0.102) 5.799 10.779 ( -2.522 0.054 1.529) 2.950 10.822 ( 0.858 -0.972 -7.702) 7.811 10.940 ( -3.878 -2.408 0.467) 4.588 11.036 ( -2.998 -7.227 4.557) 9.055 11.401 ( -0.431 0.403 -2.020) 2.104 11.486 ( 4.859 -0.388 1.701) 5.163 11.669 ( -4.221 -6.149 0.699) 7.491 11.711 ( -2.797 -4.027 -1.705) 5.191 12.100 ( 3.155 0.622 1.441) 3.523 12.134 ( 0.534 1.574 -0.159) 1.670 12.888 ( 2.074 10.344 0.445) 10.559 13.019 ( 1.272 7.406 0.241) 7.518 13.079 ( 3.508 3.781 -0.327) 5.168 13.110 ( 5.100 5.825 -2.099) 8.022 14.318 ( -3.069 1.169 -0.250) 3.293 14.351 ( -2.268 -0.243 -2.189) 3.162 14.454 ( -1.514 3.328 1.793) 4.072 14.545 ( -0.410 0.974 -0.693) 1.264 15.118 ( -0.250 -1.360 -2.906) 3.218 15.134 ( 0.576 -2.474 2.867) 3.831 15.522 ( -1.925 0.279 1.903) 2.721 15.619 ( -3.467 -3.327 1.474) 5.026 15.871 ( -2.395 11.271 0.179) 11.524 15.957 ( -1.947 6.235 -1.615) 6.728 16.025 ( -1.134 3.629 1.314) 4.022 16.114 ( 1.035 5.313 -1.667) 5.663 16.206 ( -1.129 0.706 0.080) 1.334 16.368 ( 2.021 3.132 -1.507) 4.021 16.498 ( 2.529 5.400 -1.228) 6.088 16.567 ( -2.677 4.011 0.326) 4.833 16.900 ( 2.051 -2.853 3.426) 4.907 16.970 ( 0.747 2.050 -1.684) 2.756 17.091 ( 2.203 -7.426 2.677) 8.195 17.158 ( 2.633 -3.888 -3.533) 5.877 17.910 ( -0.603 -2.977 1.802) 3.532 18.087 ( -1.506 -6.278 -5.030) 8.185 18.212 ( -3.766 -3.972 4.467) 7.065 18.335 ( -2.168 -6.335 2.143) 7.030 21.678 ( -1.735 7.882 0.925) 8.123 21.779 ( 0.003 6.201 -0.418) 6.215 21.929 ( -5.439 -0.786 -1.132) 5.611 21.985 ( -3.240 -1.037 1.096) 3.574 27.707 ( -3.516 0.417 -1.077) 3.701 27.720 ( -3.497 -0.301 0.600) 3.561 28.011 ( -10.948 3.216 1.570) 11.518 28.020 ( -12.074 3.094 -1.312) 12.533 29.210 ( 0.922 -0.437 -0.123) 1.028 29.222 ( 0.914 -0.796 -0.604) 1.354 29.408 ( -2.763 1.120 0.659) 3.053 29.409 ( -3.231 1.139 -0.108) 3.427 30.286 ( -2.471 0.679 -0.829) 2.693 30.295 ( -1.433 0.245 0.435) 1.518 30.654 ( -6.887 1.504 -1.181) 7.148 30.685 ( -5.547 0.260 1.103) 5.661 31.447 ( 3.807 3.118 2.100) 5.351 31.536 ( 4.411 0.150 0.129) 4.415 31.833 ( 2.569 -2.615 -0.017) 3.666 31.859 ( 4.249 -3.313 -0.847) 5.454 32.059 ( 4.947 1.874 -2.722) 5.949 32.088 ( 3.491 0.429 0.828) 3.613 32.265 ( 6.888 4.098 1.135) 8.095 32.546 ( 12.352 -8.182 8.343) 17.004 32.832 ( 7.497 4.840 -7.122) 11.417 32.989 ( 12.028 1.306 -3.066) 12.481 33.257 ( 11.292 -6.550 -1.041) 13.096 33.401 ( 15.739 -9.233 2.250) 18.386 34.326 ( -9.693 7.119 3.128) 12.426 34.506 ( -6.260 -3.285 3.373) 7.833 34.543 ( -6.061 4.157 -2.114) 7.647 34.728 ( -2.154 -3.641 -3.585) 5.545 ======================= Grid point 100 (48/88) ======================= q-point: ( 0.30 0.33 -0.75) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.012 ( 13.446 10.939 1.254) 17.379 2.171 ( 12.822 1.783 -1.000) 12.984 2.367 ( 13.049 5.756 2.044) 14.408 2.442 ( 11.758 8.058 -0.633) 14.268 2.587 ( 1.007 -1.410 -4.584) 4.900 2.691 ( 9.112 2.131 -3.529) 10.002 2.862 ( 6.800 -4.159 -0.120) 7.972 3.017 ( -2.563 -1.656 0.323) 3.069 3.072 ( 1.542 -1.016 2.854) 3.399 3.208 ( 2.063 -2.336 -4.084) 5.137 3.311 ( -0.241 -3.349 3.778) 5.055 3.428 ( -0.491 -4.867 0.113) 4.893 3.487 ( 0.308 8.351 -2.510) 8.726 3.609 ( -0.906 7.941 -4.104) 8.985 3.721 ( 7.386 1.180 0.094) 7.480 3.796 ( 0.315 12.021 1.251) 12.090 3.889 ( 7.885 1.630 -1.270) 8.151 3.927 ( 1.858 -2.583 1.028) 3.344 4.026 ( 4.461 -3.021 2.155) 5.803 4.091 ( 2.194 3.601 0.736) 4.280 4.258 ( 7.511 0.925 3.101) 8.178 4.339 ( 11.078 6.782 7.671) 15.085 4.375 ( 2.873 -4.136 -4.496) 6.751 4.463 ( -3.102 -3.073 3.443) 5.561 4.596 ( 7.309 16.540 -4.709) 18.686 4.759 ( 11.105 2.258 1.142) 11.390 4.848 ( -0.577 4.367 -0.181) 4.409 4.947 ( 4.410 -2.814 -2.080) 5.630 5.086 ( 7.383 3.537 0.469) 8.200 5.198 ( 8.645 -6.483 -4.099) 11.557 5.227 ( 3.163 16.650 0.981) 16.976 5.326 ( 8.653 -2.563 -7.879) 11.980 5.477 ( 4.849 -3.539 -0.752) 6.050 5.593 ( -6.489 -2.571 3.980) 8.035 5.718 ( 2.050 -1.191 -1.199) 2.656 5.799 ( 0.324 0.852 2.486) 2.648 5.915 ( 0.355 -5.021 -5.501) 7.457 6.034 ( -0.518 -7.868 7.169) 10.657 6.278 ( -1.058 -0.219 3.979) 4.123 6.445 ( -1.259 -0.267 3.402) 3.637 6.668 ( -0.867 0.043 -0.581) 1.045 6.682 ( 0.718 1.429 2.547) 3.008 6.774 ( 4.484 -2.001 -2.042) 5.318 6.954 ( 0.117 -2.989 -3.823) 4.854 7.260 ( -7.842 0.219 2.679) 8.290 7.355 ( -8.726 -3.382 2.858) 9.785 7.600 ( -3.803 -11.080 -4.190) 12.441 7.674 ( -8.498 -10.991 -2.232) 14.071 8.272 ( -7.131 3.120 -3.675) 8.608 8.408 ( -9.158 -0.758 1.056) 9.250 8.701 ( -5.564 4.551 3.766) 8.115 8.898 ( -7.114 -5.490 2.633) 9.364 9.215 ( 2.689 4.068 -3.904) 6.247 9.270 ( -1.199 -3.901 0.091) 4.083 9.541 ( -3.445 -4.044 -2.061) 5.698 9.568 ( -2.046 -5.356 -0.399) 5.748 9.713 ( -2.293 2.090 -1.983) 3.682 9.785 ( 1.811 2.133 0.498) 2.842 10.001 ( 4.763 -1.302 1.343) 5.117 10.189 ( 0.085 -3.284 2.288) 4.003 10.410 ( 2.690 -5.239 1.509) 6.079 10.532 ( 1.916 -7.914 0.544) 8.160 10.744 ( -2.700 0.819 3.672) 4.631 10.770 ( -0.884 -1.723 -5.783) 6.099 10.861 ( -3.321 -4.079 -2.146) 5.680 11.008 ( -4.942 -7.043 6.329) 10.681 11.334 ( -3.528 3.667 -3.072) 5.944 11.564 ( 2.094 -1.965 -0.204) 2.879 11.614 ( -1.714 -5.893 0.259) 6.142 11.647 ( -2.315 -4.187 -2.030) 5.197 12.114 ( -1.238 3.269 1.468) 3.791 12.169 ( 2.169 -0.346 -0.742) 2.319 12.936 ( 2.552 9.897 0.454) 10.231 13.049 ( 1.161 8.176 0.897) 8.307 13.139 ( 3.092 4.679 -0.256) 5.614 13.183 ( 4.231 6.025 -2.188) 7.680 14.270 ( -1.731 0.586 0.200) 1.839 14.307 ( -1.264 -0.718 -0.173) 1.463 14.433 ( -1.135 3.707 -0.154) 3.880 14.541 ( -0.038 0.115 -0.176) 0.214 15.116 ( 1.927 0.528 -1.281) 2.374 15.178 ( 1.765 -2.458 2.653) 4.024 15.482 ( -3.572 -0.037 0.262) 3.582 15.549 ( -4.650 -1.591 0.369) 4.929 15.855 ( -0.458 9.590 1.549) 9.725 15.904 ( -2.551 5.801 0.353) 6.347 16.011 ( -1.935 3.450 1.913) 4.394 16.112 ( 0.935 2.315 -2.391) 3.457 16.231 ( 2.636 0.239 0.499) 2.694 16.379 ( 0.183 -0.880 -1.344) 1.617 16.514 ( 1.440 6.606 -2.882) 7.349 16.582 ( 3.023 7.315 1.433) 8.044 16.954 ( 1.091 -1.587 2.654) 3.279 16.976 ( 1.082 2.253 -1.571) 2.952 17.103 ( -0.196 -7.264 -2.990) 7.858 17.200 ( 1.684 -5.725 2.557) 6.492 17.910 ( -0.379 -3.934 0.166) 3.956 18.030 ( -1.143 -7.427 -2.485) 7.914 18.174 ( -3.172 -2.268 2.860) 4.836 18.305 ( -2.534 -6.317 1.398) 6.948 21.657 ( -0.583 6.168 -0.168) 6.198 21.778 ( -0.275 6.502 0.042) 6.508 21.830 ( -3.302 -1.777 -1.666) 4.103 21.935 ( -3.091 -0.914 1.191) 3.436 27.602 ( -4.471 1.407 -4.308) 6.366 27.620 ( -4.410 0.148 -4.323) 6.178 27.848 ( -8.125 2.973 4.174) 9.606 27.865 ( -7.307 1.693 4.680) 8.841 29.224 ( 0.966 -0.395 -0.809) 1.321 29.233 ( 0.806 -0.720 -0.852) 1.377 29.365 ( -1.943 0.783 0.752) 2.225 29.370 ( -1.878 0.603 0.850) 2.148 30.243 ( -0.665 1.153 -1.661) 2.129 30.290 ( 0.508 -1.021 -0.662) 1.319 30.521 ( -5.985 1.708 -0.687) 6.262 30.589 ( -5.561 -1.339 1.424) 5.895 31.548 ( 4.839 3.010 2.114) 6.078 31.628 ( 5.250 0.406 -0.183) 5.269 31.851 ( -0.345 -1.842 -0.626) 1.976 31.904 ( 1.081 -3.203 -1.754) 3.809 32.144 ( 4.860 0.178 0.575) 4.897 32.178 ( 4.586 -1.193 2.986) 5.601 32.414 ( 7.174 7.529 1.767) 10.548 32.692 ( 1.284 -4.076 -2.811) 5.115 32.978 ( 9.713 4.413 0.024) 10.669 33.182 ( 11.122 2.376 -3.377) 11.864 33.474 ( 10.474 -3.959 1.561) 11.305 33.676 ( 12.216 -5.368 0.156) 13.344 34.176 ( -7.650 6.200 2.113) 10.071 34.374 ( -7.021 -2.675 -3.306) 8.209 34.441 ( -5.245 -0.907 3.177) 6.199 34.681 ( -1.175 -6.742 -1.218) 6.951 ======================= Grid point 101 (49/88) ======================= q-point: ( 0.40 0.33 -0.75) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.287 ( 11.825 7.895 3.624) 14.673 2.383 ( 8.857 0.110 0.676) 8.883 2.512 ( 3.369 -1.106 -2.506) 4.342 2.601 ( 7.753 -0.325 -2.051) 8.027 2.722 ( 10.072 8.492 3.592) 13.655 2.792 ( 6.100 2.136 -4.527) 7.891 2.955 ( -1.540 2.341 0.850) 2.928 3.009 ( 1.694 -3.214 2.110) 4.202 3.042 ( -1.459 2.740 -2.307) 3.868 3.240 ( 3.326 -0.410 -1.375) 3.622 3.317 ( -0.855 -3.881 0.065) 3.975 3.416 ( -3.419 -1.314 1.914) 4.133 3.454 ( -3.852 7.556 7.294) 11.186 3.628 ( 5.617 2.718 -3.019) 6.932 3.755 ( 0.073 3.498 -0.590) 3.548 3.855 ( -2.302 0.145 -2.458) 3.371 3.889 ( 1.926 4.506 6.450) 8.101 3.973 ( -2.934 -3.628 1.698) 4.965 4.055 ( 1.717 5.994 -4.272) 7.558 4.167 ( -0.608 -1.238 4.315) 4.530 4.262 ( -2.215 3.552 -0.215) 4.192 4.388 ( 4.629 -1.427 0.864) 4.920 4.441 ( 2.678 0.683 -1.647) 3.217 4.540 ( 1.242 2.213 0.106) 2.540 4.695 ( 2.207 6.303 -4.035) 7.802 4.856 ( 2.385 14.275 7.721) 16.404 4.974 ( 6.542 5.350 -1.718) 8.624 4.998 ( 2.651 -1.290 -0.387) 2.973 5.214 ( 4.579 4.141 0.993) 6.253 5.261 ( 4.727 8.360 -4.823) 10.747 5.365 ( 6.957 -5.617 -0.726) 8.971 5.491 ( 10.939 -0.952 -10.186) 14.977 5.544 ( -0.746 -4.803 4.051) 6.328 5.587 ( 6.341 -2.394 0.042) 6.778 5.704 ( -0.934 -1.109 -3.629) 3.908 5.796 ( -0.475 -0.465 -0.439) 0.797 5.891 ( 2.433 -3.610 -6.243) 7.611 6.049 ( -4.305 -7.359 5.159) 9.965 6.271 ( -0.658 -2.541 1.393) 2.971 6.425 ( -4.039 -5.284 3.936) 7.729 6.645 ( 0.567 5.454 0.301) 5.492 6.738 ( 2.446 1.551 0.829) 3.013 6.831 ( 3.150 -1.871 -1.486) 3.954 6.931 ( -0.313 -3.637 -2.894) 4.659 7.145 ( -7.344 -0.559 2.271) 7.708 7.221 ( -6.977 -1.992 3.277) 7.961 7.520 ( -1.331 -10.932 -2.888) 11.385 7.543 ( -3.401 -10.611 -1.205) 11.207 8.170 ( -1.827 4.558 -1.281) 5.075 8.311 ( -3.916 -1.572 6.307) 7.588 8.626 ( -4.857 4.944 2.332) 7.312 8.804 ( -4.232 -4.262 0.998) 6.089 9.240 ( -1.627 -1.165 1.076) 2.272 9.247 ( 2.746 3.666 -2.401) 5.171 9.478 ( -1.054 -4.844 -2.943) 5.765 9.545 ( -0.281 -8.086 -0.008) 8.091 9.644 ( -3.287 5.668 0.638) 6.583 9.817 ( 1.389 1.086 -2.287) 2.887 10.085 ( 2.661 -1.692 1.005) 3.310 10.207 ( 0.360 -2.469 1.481) 2.902 10.449 ( 1.518 -4.360 -1.009) 4.726 10.576 ( 2.278 -10.514 0.013) 10.758 10.703 ( -1.869 -0.820 -3.236) 3.826 10.742 ( -1.679 -2.540 2.430) 3.896 10.792 ( -1.814 -5.819 -0.559) 6.121 10.952 ( -5.299 -5.117 5.929) 9.456 11.262 ( -1.875 6.617 -0.374) 6.888 11.561 ( -0.313 -2.075 -1.928) 2.850 11.596 ( -1.147 -2.475 -2.058) 3.417 11.606 ( -0.019 -7.890 -1.609) 8.052 12.102 ( -0.909 3.204 0.798) 3.425 12.187 ( 0.774 -0.543 -1.281) 1.592 12.985 ( 1.975 9.459 0.731) 9.691 13.067 ( -0.114 8.242 0.918) 8.294 13.186 ( 1.615 5.622 0.429) 5.865 13.234 ( 2.929 5.679 -2.046) 6.709 14.256 ( -0.393 0.261 1.062) 1.162 14.304 ( -0.149 -1.215 2.463) 2.750 14.412 ( -0.424 3.830 -1.401) 4.100 14.533 ( -0.219 -0.357 -1.390) 1.452 15.170 ( 4.068 1.022 0.137) 4.197 15.236 ( 2.171 -1.501 1.867) 3.233 15.394 ( -5.011 0.638 -0.713) 5.101 15.455 ( -4.511 -0.657 -1.690) 4.862 15.852 ( -0.321 6.797 0.514) 6.824 15.889 ( -1.213 2.688 3.142) 4.309 15.987 ( -1.681 5.083 1.415) 5.538 16.117 ( 1.159 1.445 -2.160) 2.846 16.286 ( 2.396 0.493 0.499) 2.496 16.362 ( -0.643 -1.546 -1.166) 2.041 16.536 ( 2.491 7.421 -1.867) 8.048 16.641 ( 1.954 6.268 -0.493) 6.584 16.979 ( 0.922 -2.091 -0.150) 2.290 16.988 ( 0.160 4.169 0.925) 4.273 17.081 ( 0.285 -6.473 -0.911) 6.543 17.233 ( -0.144 -5.844 1.356) 6.002 17.904 ( 0.105 -3.652 -0.059) 3.654 18.001 ( -0.871 -7.548 -0.998) 7.663 18.144 ( -1.642 -2.197 1.851) 3.309 18.264 ( -2.091 -6.440 -0.156) 6.772 21.658 ( 0.887 3.947 -0.270) 4.054 21.741 ( -2.707 2.142 -0.257) 3.461 21.812 ( 1.389 1.700 -0.678) 2.298 21.885 ( -2.889 0.236 0.615) 2.963 27.519 ( -1.510 1.540 -1.164) 2.451 27.536 ( -1.443 0.506 -1.267) 1.986 27.746 ( -5.160 2.401 0.937) 5.767 27.778 ( -4.985 0.698 1.666) 5.303 29.235 ( 0.941 -0.405 -0.812) 1.307 29.240 ( 0.653 -0.670 -0.739) 1.192 29.342 ( -1.122 0.689 0.711) 1.497 29.349 ( -1.186 0.372 0.902) 1.536 30.241 ( 1.223 0.904 -0.199) 1.534 30.299 ( 1.031 -1.777 -0.687) 2.167 30.430 ( -3.304 1.518 -0.002) 3.636 30.499 ( -4.687 -1.665 0.434) 4.993 31.652 ( 4.435 2.114 1.858) 5.253 31.721 ( 4.368 0.306 -0.171) 4.382 31.814 ( -2.681 -0.243 -0.559) 2.750 31.887 ( -0.762 -1.819 -2.399) 3.106 32.233 ( 2.766 -0.154 2.669) 3.847 32.286 ( 3.059 -2.556 5.072) 6.451 32.547 ( 6.037 4.559 -0.328) 7.573 32.633 ( -2.402 0.417 -6.679) 7.110 33.127 ( 5.321 6.152 1.259) 8.231 33.339 ( 7.212 7.332 -2.669) 10.625 33.647 ( 5.390 -4.988 3.940) 8.334 33.858 ( 6.495 1.376 0.587) 6.665 34.084 ( -2.120 -1.253 -1.366) 2.816 34.219 ( -6.090 -1.720 -4.095) 7.538 34.390 ( -3.717 -4.198 5.818) 8.080 34.656 ( -0.076 -8.105 -2.557) 8.499 ======================= Grid point 102 (50/88) ======================= q-point: (-0.50 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.433 ( -2.500 5.991 2.617) 6.999 2.493 ( 2.623 1.505 2.779) 4.107 2.556 ( 2.027 0.522 0.018) 2.093 2.682 ( 2.691 0.226 -2.355) 3.584 2.776 ( -7.167 -0.247 2.141) 7.484 2.885 ( 6.320 3.717 -3.070) 7.949 2.942 ( -4.488 -1.054 2.865) 5.428 2.987 ( 3.396 0.746 0.836) 3.576 3.140 ( 7.460 4.172 -1.492) 8.676 3.228 ( -6.386 -1.580 -4.589) 8.021 3.282 ( -1.666 7.507 2.090) 7.969 3.319 ( -1.915 4.778 2.447) 5.700 3.490 ( -1.391 -0.430 6.599) 6.758 3.731 ( 8.647 0.627 -5.730) 10.393 3.755 ( -0.675 -0.370 -0.554) 0.948 3.790 ( -1.046 -1.845 -1.202) 2.438 3.905 ( -2.203 4.672 6.691) 8.453 3.986 ( -1.284 -3.706 9.263) 10.059 4.034 ( -10.602 -0.031 5.038) 11.738 4.131 ( 8.711 4.444 -2.163) 10.015 4.354 ( 5.844 4.477 -5.264) 9.051 4.407 ( -1.582 3.671 -1.927) 4.438 4.487 ( 3.333 4.675 -1.413) 5.913 4.556 ( -0.143 -3.636 4.471) 5.764 4.676 ( 0.205 8.846 -4.392) 9.878 4.908 ( -0.826 8.520 -0.268) 8.564 4.959 ( -5.740 9.245 1.890) 11.045 5.046 ( 0.599 -3.484 0.485) 3.568 5.251 ( -0.985 1.832 0.586) 2.161 5.296 ( 2.706 4.100 -5.009) 7.016 5.401 ( -1.139 -0.444 -1.301) 1.785 5.539 ( -1.909 -5.340 2.168) 6.071 5.571 ( -3.406 -0.331 -4.157) 5.384 5.595 ( 4.027 -6.786 -10.203) 12.898 5.712 ( 1.453 -2.315 -0.353) 2.756 5.801 ( 0.121 0.470 -2.581) 2.626 5.903 ( -2.541 -0.483 0.331) 2.608 5.972 ( 0.814 -2.216 -2.251) 3.262 6.303 ( 2.037 -6.927 2.563) 7.661 6.368 ( -4.116 -4.901 2.354) 6.819 6.683 ( 1.359 4.898 3.080) 5.943 6.770 ( -1.494 5.666 1.291) 6.000 6.881 ( 3.769 -0.442 -4.148) 5.622 6.886 ( -0.967 -3.375 -2.973) 4.601 7.066 ( -0.362 -3.382 3.826) 5.119 7.143 ( -3.443 -3.224 1.561) 4.969 7.508 ( 1.162 -10.933 -0.863) 11.028 7.529 ( 1.874 -9.426 -0.806) 9.644 8.181 ( 1.851 3.815 4.120) 5.912 8.337 ( 1.407 -2.758 4.142) 5.171 8.564 ( -3.277 5.910 2.959) 7.378 8.756 ( -0.923 -3.485 -0.991) 3.739 9.211 ( -1.408 -0.238 0.723) 1.601 9.312 ( 4.631 3.549 -0.076) 5.835 9.446 ( -0.310 -8.672 -2.326) 8.984 9.542 ( -0.164 -5.986 -1.245) 6.116 9.620 ( -0.205 8.522 1.940) 8.742 9.809 ( 0.548 0.807 -3.316) 3.457 10.106 ( -0.713 -2.586 0.573) 2.743 10.211 ( -0.911 -4.600 -0.001) 4.689 10.471 ( 0.039 -2.900 1.139) 3.116 10.574 ( -3.402 -4.633 -0.931) 5.823 10.682 ( 2.775 -8.100 -2.736) 8.989 10.684 ( -0.643 -8.154 -2.320) 8.502 10.831 ( 2.441 -1.436 4.309) 5.156 10.922 ( -1.220 -1.918 3.306) 4.012 11.267 ( 0.550 5.199 4.067) 6.624 11.535 ( -0.411 -1.286 -4.177) 4.390 11.564 ( -0.727 -6.386 -2.156) 6.779 11.592 ( 0.990 -3.338 -2.573) 4.330 12.093 ( -0.735 2.624 1.055) 2.922 12.184 ( 0.275 -0.682 -1.965) 2.098 13.017 ( 0.583 8.921 1.034) 9.000 13.061 ( -1.080 8.153 0.764) 8.259 13.197 ( -0.955 6.437 0.405) 6.520 13.265 ( 1.738 4.863 -1.606) 5.408 14.268 ( 0.246 0.709 2.263) 2.384 14.333 ( 0.401 -1.508 4.149) 4.433 14.394 ( 0.064 3.757 -2.311) 4.411 14.510 ( -0.448 -0.469 -3.005) 3.074 15.243 ( 0.779 0.147 1.132) 1.382 15.260 ( -1.911 0.157 1.646) 2.527 15.321 ( 0.403 1.659 -1.539) 2.298 15.387 ( 0.481 -0.646 -2.630) 2.751 15.866 ( 0.287 4.874 2.345) 5.416 15.874 ( -1.893 1.506 1.547) 2.872 15.982 ( -0.044 6.177 1.625) 6.387 16.118 ( 0.899 1.213 -2.671) 3.068 16.311 ( -0.631 0.573 0.562) 1.021 16.352 ( 0.813 -0.985 -0.837) 1.527 16.567 ( 1.613 5.768 -0.715) 6.032 16.634 ( -1.110 4.658 -2.830) 5.562 16.978 ( -1.866 2.171 1.052) 3.050 17.004 ( 1.500 0.837 -0.170) 1.726 17.111 ( 1.760 -4.285 2.503) 5.265 17.215 ( -1.556 -4.780 -1.083) 5.142 17.918 ( 0.798 -4.377 1.090) 4.581 17.976 ( -0.559 -6.798 -1.517) 6.988 18.145 ( 0.045 -3.305 2.170) 3.954 18.230 ( -0.796 -6.194 -1.410) 6.402 21.677 ( -0.034 2.792 0.250) 2.804 21.704 ( 0.368 1.446 -0.768) 1.678 21.830 ( -1.693 2.011 0.433) 2.664 21.851 ( 1.465 0.922 -0.401) 1.777 27.533 ( 2.577 1.707 2.086) 3.729 27.556 ( 2.738 0.402 2.380) 3.650 27.666 ( -2.379 2.013 -2.286) 3.865 27.699 ( -3.046 0.409 -2.114) 3.730 29.242 ( 0.114 -0.417 -0.582) 0.725 29.247 ( 0.582 -0.585 -0.641) 1.045 29.334 ( -0.197 0.621 0.692) 0.951 29.338 ( -0.531 0.426 0.651) 0.942 30.273 ( 0.874 0.648 1.488) 1.843 30.322 ( 1.180 -1.602 0.340) 2.019 30.395 ( -0.040 0.527 -0.458) 0.699 30.431 ( -1.517 -1.099 -1.068) 2.157 31.716 ( -1.494 0.814 0.662) 1.825 31.748 ( -1.572 -0.521 2.299) 2.833 31.786 ( 1.710 2.143 -1.916) 3.345 31.866 ( 1.444 -1.448 -2.353) 3.118 32.282 ( -0.259 0.586 4.007) 4.058 32.354 ( -0.602 -2.618 6.338) 6.883 32.523 ( -3.430 2.959 -6.500) 7.923 32.626 ( 3.407 -1.930 -3.641) 5.348 33.205 ( 1.360 10.496 3.201) 11.057 33.388 ( 0.770 11.860 -4.836) 12.831 33.730 ( -1.540 -5.994 7.177) 9.477 33.917 ( 0.169 4.609 0.854) 4.690 34.084 ( -3.593 -6.085 -2.498) 7.495 34.093 ( 3.757 -4.490 -6.563) 8.794 34.389 ( -2.018 -3.680 7.718) 8.785 34.643 ( 1.629 -8.404 -4.057) 9.474 ======================= Grid point 103 (51/88) ======================= q-point: (-0.40 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.281 ( -13.448 6.233 3.162) 15.156 2.455 ( -8.960 2.539 2.101) 9.547 2.532 ( -7.833 4.897 -3.634) 9.927 2.638 ( -7.166 -3.845 -1.734) 8.315 2.654 ( -2.432 1.146 -0.043) 2.689 2.803 ( -6.243 -4.169 -2.067) 7.787 2.955 ( -2.563 2.387 2.606) 4.365 3.058 ( 0.413 3.835 1.767) 4.242 3.121 ( 1.617 0.937 -3.040) 3.568 3.185 ( 0.632 1.571 -2.682) 3.171 3.251 ( 0.918 3.969 1.639) 4.391 3.410 ( -1.054 0.484 6.922) 7.018 3.493 ( 1.877 4.502 0.513) 4.905 3.723 ( -0.949 2.104 -1.680) 2.855 3.776 ( -1.472 1.381 -1.292) 2.397 3.838 ( 4.687 2.758 -5.843) 7.982 3.880 ( -7.110 2.200 3.504) 8.227 3.950 ( -0.683 2.391 5.632) 6.157 4.060 ( 2.313 -3.246 5.198) 6.551 4.257 ( 3.082 4.744 -0.535) 5.683 4.335 ( 0.338 4.646 -3.761) 5.987 4.414 ( -0.140 -3.504 2.449) 4.278 4.473 ( -5.804 1.193 -1.478) 6.107 4.520 ( -7.283 -0.077 6.761) 9.938 4.680 ( 1.856 11.565 0.427) 11.721 4.832 ( -1.773 0.131 -10.738) 10.884 4.857 ( -5.584 7.256 1.411) 9.264 5.055 ( 0.322 0.206 3.043) 3.067 5.210 ( -3.482 3.423 -0.838) 4.954 5.272 ( -2.788 -2.453 -1.978) 4.207 5.350 ( -4.047 4.320 2.845) 6.568 5.445 ( -4.184 -5.058 -4.314) 7.855 5.467 ( -2.086 2.282 -9.740) 10.219 5.515 ( -10.496 -3.955 -0.248) 11.219 5.676 ( -2.725 -2.072 0.799) 3.516 5.776 ( 0.990 -4.029 -2.434) 4.810 5.836 ( -2.060 2.540 -0.047) 3.271 6.047 ( 3.692 -2.648 1.514) 4.789 6.305 ( -2.404 -2.939 0.638) 3.850 6.374 ( 0.109 -6.703 6.386) 9.258 6.683 ( -3.319 11.716 -0.390) 12.183 6.727 ( -1.960 0.176 1.686) 2.591 6.825 ( -1.601 -6.994 -3.638) 8.045 6.969 ( 6.942 1.974 -4.047) 8.274 7.127 ( 0.302 -4.202 2.855) 5.088 7.176 ( 6.723 -4.007 3.297) 8.492 7.543 ( 3.346 -11.486 -1.126) 12.016 7.580 ( 5.134 -8.111 -2.076) 9.821 8.285 ( 4.182 1.306 4.479) 6.265 8.395 ( 5.077 0.292 -3.744) 6.315 8.586 ( 1.030 2.477 9.967) 10.321 8.756 ( 2.407 -2.606 -2.512) 4.346 9.199 ( -0.390 0.413 0.050) 0.571 9.394 ( 4.364 2.875 -4.834) 7.118 9.441 ( -0.026 -10.395 3.464) 10.957 9.521 ( 0.517 -2.006 -3.375) 3.960 9.646 ( 1.127 7.728 1.285) 7.915 9.804 ( 1.431 -0.574 -2.132) 2.631 10.087 ( -2.403 -4.411 2.630) 5.670 10.171 ( -2.859 -6.153 -1.215) 6.893 10.427 ( -3.832 -0.917 0.296) 3.951 10.500 ( -2.812 -4.156 -0.288) 5.026 10.710 ( 2.193 -4.705 0.644) 5.231 10.743 ( 4.828 -9.487 -1.834) 10.802 10.907 ( 2.421 -1.355 2.576) 3.786 10.980 ( 5.687 -1.126 1.759) 6.058 11.315 ( -0.313 1.760 5.153) 5.454 11.473 ( -1.191 -1.753 -6.727) 7.053 11.547 ( 0.476 -4.123 -1.305) 4.350 11.616 ( 3.127 -2.903 -1.953) 4.693 12.091 ( -0.677 2.401 1.622) 2.976 12.172 ( 0.154 -0.896 -1.895) 2.101 13.012 ( -2.109 8.177 1.320) 8.547 13.049 ( -0.597 8.631 0.493) 8.666 13.158 ( -2.952 6.723 -0.620) 7.368 13.269 ( -0.393 3.809 -1.154) 3.999 14.298 ( 0.810 1.873 3.175) 3.775 14.357 ( -0.008 1.359 -0.755) 1.554 14.397 ( 0.794 0.676 2.174) 2.411 14.477 ( 0.058 -0.528 -3.879) 3.915 15.190 ( -4.138 0.699 -0.643) 4.245 15.226 ( -2.037 -0.631 2.887) 3.589 15.392 ( 5.327 1.277 -0.416) 5.494 15.424 ( 4.257 0.548 -2.114) 4.784 15.832 ( -2.420 4.311 0.907) 5.026 15.916 ( 1.897 3.743 2.864) 5.080 15.998 ( 0.081 5.509 1.652) 5.752 16.117 ( 1.524 0.935 -2.961) 3.459 16.281 ( -2.742 0.816 0.795) 2.969 16.368 ( 1.418 -0.477 -0.997) 1.798 16.571 ( -2.158 4.460 -2.372) 5.493 16.585 ( -0.190 3.395 -0.270) 3.411 16.937 ( -2.799 1.050 0.410) 3.018 17.026 ( 0.491 1.388 0.255) 1.494 17.121 ( -2.732 -3.120 -0.468) 4.173 17.209 ( 2.055 -2.477 1.174) 3.426 17.926 ( -0.822 -5.399 -0.140) 5.463 17.977 ( 1.789 -6.889 -0.702) 7.152 18.179 ( 1.435 -4.443 3.308) 5.722 18.217 ( 0.835 -5.405 -1.807) 5.760 21.655 ( -1.192 3.705 -0.240) 3.900 21.746 ( 3.387 1.346 -0.366) 3.663 21.791 ( -1.796 2.815 -0.398) 3.362 21.898 ( 2.845 -0.242 0.414) 2.885 27.581 ( -0.444 1.065 -3.114) 3.321 27.598 ( 0.033 0.397 -1.895) 1.936 27.686 ( 6.113 2.623 1.606) 6.843 27.713 ( 7.378 1.041 3.573) 8.264 29.231 ( -0.726 -0.279 -0.758) 1.086 29.245 ( -0.293 -0.787 -0.767) 1.137 29.343 ( 0.639 0.765 0.675) 1.204 29.348 ( 0.984 0.529 0.906) 1.438 30.280 ( -0.910 0.282 0.912) 1.319 30.294 ( -2.474 -0.370 -1.871) 3.124 30.446 ( 3.758 -0.183 -1.020) 3.899 30.463 ( 5.505 -0.818 1.536) 5.773 31.642 ( -5.372 1.964 1.582) 5.935 31.701 ( -4.281 0.100 0.058) 4.283 31.824 ( 2.286 0.243 -0.667) 2.393 31.889 ( 1.813 -1.851 -2.071) 3.316 32.289 ( -2.931 1.940 5.761) 6.749 32.368 ( -3.340 -1.189 7.300) 8.115 32.407 ( -3.961 2.957 -4.635) 6.776 32.604 ( -1.479 -6.281 -7.763) 10.095 33.225 ( -2.779 13.094 3.692) 13.886 33.304 ( -4.671 9.918 -5.204) 12.136 33.671 ( -9.043 -3.355 4.275) 10.550 33.908 ( -7.370 -11.353 1.339) 13.602 33.996 ( 3.108 6.691 -1.956) 7.632 34.169 ( 6.168 -6.478 -3.210) 9.503 34.425 ( 0.836 -0.469 4.386) 4.490 34.667 ( 3.788 -8.794 -2.510) 9.898 ======================= Grid point 104 (52/88) ======================= q-point: (-0.30 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.005 ( -18.078 8.093 3.495) 20.113 2.174 ( -19.645 7.097 -4.608) 21.390 2.336 ( -7.252 3.867 2.021) 8.463 2.445 ( -10.297 0.999 -0.343) 10.351 2.630 ( -1.420 -2.214 -2.257) 3.466 2.693 ( -3.338 -4.284 -3.550) 6.489 2.887 ( -5.620 4.043 -0.496) 6.941 3.025 ( -2.976 0.927 -0.241) 3.126 3.137 ( 0.425 0.613 -0.865) 1.142 3.182 ( -7.402 -1.306 3.974) 8.502 3.283 ( 3.344 -0.319 -2.385) 4.120 3.373 ( -3.093 -5.288 1.839) 6.396 3.510 ( -0.215 8.469 -1.791) 8.659 3.598 ( -10.274 4.943 -6.009) 12.888 3.719 ( -3.310 2.667 -0.248) 4.258 3.827 ( -5.937 7.718 6.396) 11.650 3.848 ( 0.721 3.816 0.102) 3.885 3.914 ( -2.385 -3.290 -3.748) 5.529 4.068 ( -8.006 5.757 1.820) 10.027 4.183 ( -18.458 8.913 2.653) 20.668 4.287 ( 2.791 3.819 0.006) 4.730 4.292 ( -7.290 -0.314 2.050) 7.579 4.434 ( 0.208 1.142 -3.378) 3.572 4.495 ( -2.214 -3.343 8.665) 9.548 4.653 ( -6.737 -0.289 1.874) 6.999 4.750 ( -0.139 2.408 -7.219) 7.612 4.817 ( -0.869 10.176 2.892) 10.614 5.032 ( -6.826 -5.203 -2.837) 9.040 5.120 ( -2.589 0.265 0.780) 2.717 5.173 ( -3.877 -3.684 -2.779) 6.027 5.262 ( -13.947 -4.942 1.319) 14.855 5.311 ( 3.547 2.144 -14.131) 14.726 5.382 ( 3.174 -1.348 4.971) 6.049 5.468 ( 4.725 6.274 -3.353) 8.540 5.631 ( -4.534 -1.288 4.148) 6.279 5.796 ( -0.160 -0.808 3.094) 3.202 5.821 ( 0.603 0.418 0.074) 0.737 6.097 ( -0.277 -5.852 2.762) 6.477 6.296 ( 1.331 -0.626 -0.606) 1.591 6.400 ( -3.399 -2.146 9.087) 9.936 6.615 ( -2.420 10.508 -3.815) 11.438 6.691 ( -2.289 -2.016 0.115) 3.052 6.757 ( -4.056 -6.283 0.333) 7.485 7.071 ( 7.816 2.113 -6.080) 10.125 7.166 ( 0.388 -5.805 4.609) 7.422 7.334 ( 7.443 -3.362 2.326) 8.491 7.618 ( 5.510 -11.255 -1.395) 12.609 7.712 ( 10.709 -8.928 -2.705) 14.202 8.355 ( 5.793 6.075 -6.365) 10.535 8.531 ( 9.254 -3.212 1.391) 9.894 8.735 ( 5.350 -0.812 10.630) 11.928 8.810 ( 5.403 -1.442 -2.372) 6.074 9.187 ( -0.360 0.404 -1.925) 2.000 9.382 ( -0.226 2.337 -5.971) 6.416 9.471 ( 0.186 -11.396 2.749) 11.724 9.547 ( 3.849 -0.340 -2.289) 4.492 9.675 ( 0.636 4.491 1.416) 4.752 9.828 ( 2.538 -1.879 -2.228) 3.865 10.039 ( -5.609 -3.889 2.747) 7.357 10.102 ( -3.192 -6.940 1.309) 7.750 10.400 ( 1.245 0.027 -0.638) 1.399 10.460 ( -2.170 -4.198 2.242) 5.231 10.748 ( 1.343 -0.205 0.835) 1.595 10.803 ( 2.540 -8.612 -1.843) 9.166 10.986 ( 4.543 0.179 1.380) 4.751 11.121 ( 6.846 -1.430 0.644) 7.023 11.294 ( -4.017 -0.457 0.891) 4.140 11.420 ( -0.904 -3.583 -2.295) 4.350 11.561 ( 1.890 -2.881 -0.522) 3.485 11.670 ( 3.914 -3.919 -1.767) 5.814 12.092 ( -0.521 2.858 1.676) 3.354 12.163 ( -0.054 -0.804 -0.776) 1.119 12.970 ( -3.213 8.108 1.330) 8.822 13.036 ( -1.190 9.523 -0.086) 9.597 13.086 ( -3.630 5.818 -1.038) 6.936 13.229 ( -2.861 2.724 -1.258) 4.145 14.344 ( 0.515 2.397 -2.829) 3.744 14.346 ( 1.488 2.985 3.273) 4.673 14.421 ( 1.004 0.297 -1.011) 1.455 14.473 ( 1.127 -1.125 0.205) 1.605 15.114 ( -3.057 1.217 -0.851) 3.398 15.231 ( 0.009 -3.648 2.430) 4.383 15.481 ( 3.231 0.098 0.387) 3.255 15.510 ( 6.417 2.279 0.023) 6.810 15.809 ( -0.449 8.349 1.189) 8.445 15.968 ( 1.582 3.803 1.106) 4.265 16.006 ( -0.274 5.415 1.325) 5.581 16.134 ( 2.524 1.540 -2.597) 3.935 16.226 ( -3.594 1.570 0.695) 3.984 16.394 ( 2.253 -0.553 -1.120) 2.576 16.507 ( -2.092 4.870 -2.135) 5.714 16.576 ( -1.216 2.398 0.650) 2.766 16.889 ( -2.624 -0.982 1.014) 2.980 17.012 ( -1.881 -2.472 -0.627) 3.169 17.061 ( -2.140 1.759 -0.892) 2.910 17.259 ( 1.467 -2.039 1.366) 2.860 17.902 ( -0.997 -4.424 -0.662) 4.583 18.011 ( 2.180 -7.815 -0.820) 8.155 18.236 ( 2.062 -4.818 -0.519) 5.267 18.248 ( 2.869 -5.384 3.825) 7.201 21.639 ( -0.257 5.187 -0.146) 5.195 21.758 ( -1.273 4.926 -0.475) 5.110 21.818 ( 4.565 0.298 -0.717) 4.630 21.959 ( 3.174 -1.055 0.721) 3.422 27.559 ( 0.978 0.843 -3.133) 3.389 27.568 ( 0.354 0.461 -3.136) 3.190 27.891 ( 12.086 4.098 3.240) 13.167 27.922 ( 11.314 1.860 3.263) 11.921 29.208 ( -0.942 -0.292 -0.633) 1.171 29.227 ( -0.806 -1.042 -0.813) 1.548 29.370 ( 1.651 1.273 0.554) 2.157 29.382 ( 1.956 0.653 0.807) 2.215 30.236 ( -1.625 0.656 -1.994) 2.655 30.266 ( -0.840 -0.622 -0.186) 1.061 30.528 ( 5.581 1.459 -0.825) 5.827 30.593 ( 6.517 -1.345 1.424) 6.805 31.551 ( -5.823 2.679 2.319) 6.816 31.612 ( -4.769 0.515 -0.349) 4.809 31.841 ( -0.159 -0.914 -0.838) 1.250 31.892 ( -0.086 -2.562 -1.210) 2.835 32.251 ( -5.813 3.685 -0.433) 6.896 32.267 ( -6.411 3.877 4.431) 8.704 32.399 ( -1.166 -1.840 7.906) 8.200 32.458 ( -6.734 -6.938 -8.882) 13.129 33.093 ( -9.190 7.858 -4.883) 13.041 33.199 ( -6.468 8.065 1.522) 10.450 33.486 ( -12.110 -5.706 0.453) 13.395 33.690 ( -14.679 -10.480 0.322) 18.039 34.112 ( 7.198 3.950 1.692) 8.384 34.277 ( 6.831 -3.037 -0.473) 7.491 34.488 ( 4.158 2.807 0.377) 5.031 34.745 ( 5.483 -8.581 -0.745) 10.210 ======================= Grid point 105 (53/88) ======================= q-point: (-0.20 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.685 ( -17.955 18.163 2.408) 25.653 1.774 ( -16.770 15.743 -2.356) 23.122 2.220 ( -8.948 4.033 -1.235) 9.893 2.317 ( -3.434 -5.600 6.717) 9.395 2.552 ( -6.706 -5.738 0.241) 8.829 2.564 ( -7.105 -1.439 -5.338) 9.003 2.781 ( -2.122 6.714 -8.232) 10.833 2.903 ( -8.799 -3.498 -3.984) 10.272 2.983 ( -12.728 3.860 5.191) 14.277 3.132 ( -0.933 3.786 -2.391) 4.574 3.244 ( -7.474 -0.221 0.502) 7.494 3.323 ( -6.064 -0.392 6.303) 8.755 3.400 ( -3.104 -0.200 -1.005) 3.269 3.565 ( 1.852 8.038 -0.516) 8.265 3.584 ( -8.314 -4.879 -1.732) 9.794 3.651 ( -20.470 20.003 3.682) 28.856 3.746 ( -4.868 3.073 2.108) 6.131 3.855 ( -2.265 3.746 -1.824) 4.742 3.903 ( -3.657 2.336 0.506) 4.369 3.973 ( -7.836 -4.725 -0.526) 9.166 4.118 ( -8.691 -3.050 -1.530) 9.337 4.336 ( -7.945 8.662 0.143) 11.755 4.361 ( 2.333 2.671 0.302) 3.559 4.500 ( -10.628 -5.669 2.049) 12.218 4.558 ( 3.792 -5.994 -0.568) 7.115 4.687 ( -0.568 6.513 -5.974) 8.856 4.750 ( -7.482 -1.679 4.818) 9.056 4.888 ( -3.664 1.031 -0.518) 3.842 5.012 ( -8.647 -8.205 -0.488) 11.931 5.099 ( -3.319 1.822 -0.345) 3.802 5.180 ( 3.643 -0.657 -3.807) 5.310 5.340 ( 7.702 6.855 -11.932) 15.769 5.514 ( 0.247 8.925 -0.371) 8.936 5.518 ( 4.670 -3.415 4.887) 7.573 5.577 ( -1.951 -2.626 0.606) 3.328 5.781 ( -3.471 1.085 2.963) 4.691 5.882 ( 4.036 -3.282 3.464) 6.250 6.110 ( -0.452 -6.092 4.029) 7.318 6.302 ( -0.465 0.856 -0.460) 1.077 6.405 ( -2.803 -0.238 7.744) 8.239 6.521 ( -4.079 -0.358 -5.490) 6.849 6.633 ( -3.837 0.945 0.115) 3.953 6.729 ( 0.729 4.608 3.298) 5.713 7.125 ( 2.973 -2.646 -6.725) 7.814 7.253 ( 4.631 -1.921 5.568) 7.492 7.489 ( 6.948 -3.921 2.472) 8.352 7.715 ( 5.341 -11.420 -0.917) 12.641 7.909 ( 11.970 -11.562 -4.479) 17.234 8.470 ( 11.401 7.237 -4.480) 14.228 8.720 ( 10.782 -4.334 -2.430) 11.871 8.869 ( 4.571 0.810 -1.441) 4.860 8.962 ( 7.634 -1.085 8.285) 11.319 9.155 ( -0.477 -0.538 -3.869) 3.935 9.331 ( -0.668 1.583 -3.113) 3.556 9.495 ( -1.357 -12.668 4.090) 13.381 9.591 ( 2.252 -1.863 -2.195) 3.655 9.667 ( -2.066 3.556 -0.135) 4.115 9.854 ( 1.442 -3.274 -2.698) 4.480 9.961 ( -1.897 -2.668 0.615) 3.331 10.066 ( -4.350 -6.934 6.017) 10.159 10.446 ( 4.478 -1.269 -2.538) 5.302 10.452 ( -1.290 -2.505 3.465) 4.466 10.771 ( 0.292 0.074 0.298) 0.424 10.814 ( 0.623 -5.899 -1.884) 6.224 11.079 ( 4.355 3.478 -2.024) 5.930 11.165 ( -1.860 1.840 -0.658) 2.698 11.277 ( 0.441 -4.619 5.836) 7.456 11.360 ( -4.035 -5.581 -2.585) 7.356 11.617 ( 4.113 -3.059 0.179) 5.129 11.730 ( 3.598 -4.950 -1.112) 6.220 12.085 ( -1.894 2.601 1.237) 3.447 12.158 ( -0.374 -1.028 0.138) 1.102 12.918 ( -3.197 8.381 1.412) 9.080 12.988 ( -2.639 10.065 -2.058) 10.607 13.034 ( -1.481 4.461 0.211) 4.705 13.148 ( -4.385 2.743 -1.267) 5.326 14.338 ( 0.944 2.192 -1.888) 3.044 14.392 ( 0.972 2.228 2.131) 3.232 14.451 ( 4.395 1.270 -4.078) 6.129 14.500 ( 0.407 -0.494 2.525) 2.605 15.068 ( -1.380 1.024 -0.181) 1.728 15.249 ( 0.664 -7.705 -0.031) 7.734 15.535 ( 1.879 1.241 1.728) 2.838 15.627 ( 3.923 -1.287 1.771) 4.493 15.852 ( 4.402 12.244 -0.152) 13.012 15.986 ( 0.729 2.385 -1.419) 2.869 16.020 ( 1.534 7.309 0.705) 7.501 16.141 ( -1.886 4.243 -1.456) 4.867 16.186 ( 0.716 1.983 0.073) 2.110 16.414 ( 0.170 3.319 -2.303) 4.043 16.489 ( 2.363 2.037 -0.683) 3.193 16.562 ( -0.208 2.828 0.810) 2.949 16.858 ( -1.988 -2.358 2.329) 3.865 16.963 ( -3.063 -5.826 0.418) 6.596 17.029 ( -0.628 3.702 -0.694) 3.818 17.270 ( -0.699 -3.541 -1.078) 3.767 17.893 ( 0.084 -2.167 1.564) 2.674 18.046 ( 2.891 -6.356 -2.401) 7.384 18.282 ( 2.243 -5.225 1.209) 5.813 18.334 ( 2.997 -5.921 3.202) 7.368 21.647 ( 0.999 6.262 0.742) 6.385 21.735 ( -0.818 5.555 -0.127) 5.616 21.906 ( 5.156 1.131 -0.586) 5.311 22.025 ( 3.161 -0.909 0.469) 3.322 27.569 ( 1.747 1.058 -0.142) 2.048 27.581 ( 2.115 0.382 -0.148) 2.155 28.143 ( 11.617 4.068 0.584) 12.322 28.192 ( 16.553 4.085 -0.533) 17.058 29.189 ( -0.741 -0.358 -0.185) 0.843 29.206 ( -0.767 -1.240 -0.448) 1.525 29.413 ( 2.543 2.063 0.281) 3.286 29.439 ( 3.988 1.124 0.187) 4.148 30.211 ( 0.185 1.106 -0.320) 1.166 30.252 ( -0.503 -0.783 0.044) 0.932 30.636 ( 6.199 2.616 -0.417) 6.742 30.715 ( 5.481 -0.970 0.303) 5.574 31.460 ( -5.518 2.855 2.315) 6.630 31.527 ( -3.773 0.490 -0.122) 3.807 31.805 ( -2.814 -1.193 -0.549) 3.105 31.870 ( -1.523 -3.289 -0.455) 3.653 32.094 ( -7.521 2.836 -2.418) 8.394 32.204 ( -5.947 6.765 5.207) 10.404 32.246 ( -8.633 -4.950 -5.994) 11.617 32.446 ( -1.008 -3.524 8.754) 9.491 32.872 ( -10.016 1.570 -3.254) 10.648 33.027 ( -11.257 1.148 -5.661) 12.653 33.220 ( -16.040 -7.677 -0.339) 17.786 33.399 ( -15.573 -9.639 2.381) 18.469 34.269 ( 7.314 5.449 2.654) 9.499 34.409 ( 6.410 -1.209 1.361) 6.663 34.588 ( 6.412 5.310 -1.132) 8.402 34.848 ( 6.132 -7.274 -2.050) 9.732 ======================= Grid point 106 (54/88) ======================= q-point: (-0.10 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.412 ( -10.663 25.320 4.359) 27.817 1.576 ( -6.381 27.232 6.586) 28.735 2.034 ( -7.384 3.698 -5.691) 10.029 2.300 ( -4.126 -1.882 3.143) 5.518 2.377 ( -8.935 -4.468 -0.336) 9.995 2.435 ( -6.964 6.604 2.217) 9.850 2.646 ( -2.911 -0.279 -6.734) 7.342 2.687 ( -10.932 -2.908 6.834) 13.216 2.876 ( -6.209 13.232 1.866) 14.735 3.009 ( -5.185 10.103 -3.436) 11.864 3.171 ( -3.191 -7.679 4.748) 9.576 3.218 ( -4.528 11.411 0.309) 12.280 3.380 ( -0.587 -3.498 0.611) 3.599 3.392 ( -3.992 -1.047 1.424) 4.366 3.472 ( -4.753 4.213 1.885) 6.625 3.566 ( -4.879 -2.469 -2.873) 6.177 3.650 ( -3.762 -0.145 -0.550) 3.804 3.750 ( -5.578 6.247 -2.181) 8.654 3.856 ( -0.101 2.988 0.227) 2.998 3.930 ( 1.378 -4.847 -2.954) 5.841 3.992 ( -4.318 -5.285 -0.085) 6.825 4.184 ( -4.094 0.300 1.479) 4.363 4.314 ( -5.642 -3.841 4.252) 8.041 4.449 ( 1.138 -9.509 -3.761) 10.289 4.555 ( -2.324 4.176 2.306) 5.306 4.629 ( -2.336 5.763 -7.715) 9.909 4.704 ( -1.892 -2.533 3.479) 4.701 4.825 ( -0.507 -0.391 0.054) 0.643 4.947 ( -0.751 -2.559 1.578) 3.098 5.036 ( -2.893 -2.875 -1.105) 4.226 5.148 ( -3.780 4.823 -0.004) 6.128 5.358 ( 2.745 0.136 -11.175) 11.508 5.472 ( -5.040 2.474 -1.586) 5.834 5.555 ( 2.033 7.754 2.372) 8.359 5.614 ( 3.588 8.585 -3.731) 10.025 5.748 ( -2.850 -1.530 3.605) 4.844 5.999 ( 5.405 -2.257 1.949) 6.173 6.111 ( -3.059 -2.566 3.248) 5.147 6.313 ( -1.695 1.893 4.279) 4.976 6.388 ( -0.225 -12.915 -1.810) 13.043 6.433 ( -0.371 3.961 -0.399) 3.998 6.550 ( -5.403 3.950 2.385) 7.105 6.819 ( 4.555 9.551 2.651) 10.908 7.111 ( 1.187 -1.859 -6.833) 7.180 7.380 ( 3.518 -2.451 6.431) 7.729 7.617 ( 4.052 -5.382 2.122) 7.063 7.796 ( 3.296 -12.571 0.731) 13.016 8.062 ( 8.335 -13.066 -6.901) 16.966 8.702 ( 14.350 4.920 -0.749) 15.189 8.869 ( 5.281 2.887 -6.202) 8.642 8.933 ( 5.579 -2.542 1.087) 6.226 9.109 ( 1.502 3.228 -5.309) 6.392 9.145 ( 3.078 -5.899 2.398) 7.072 9.342 ( 2.034 -0.588 4.847) 5.289 9.401 ( -10.271 -1.763 0.769) 10.449 9.628 ( 2.462 -7.077 3.096) 8.107 9.650 ( 0.340 -0.715 0.499) 0.936 9.822 ( -2.047 -7.963 -1.302) 8.325 9.976 ( 0.369 1.066 -3.123) 3.321 10.037 ( -2.512 -7.353 7.684) 10.928 10.443 ( -2.171 0.078 1.831) 2.841 10.515 ( 5.349 -2.929 -5.339) 8.105 10.757 ( -0.513 -0.966 -2.253) 2.505 10.814 ( 0.079 -4.205 1.452) 4.449 11.072 ( -1.527 2.370 -2.378) 3.688 11.173 ( -2.528 -1.741 8.001) 8.569 11.256 ( -2.400 -3.068 -3.332) 5.126 11.319 ( 0.608 -1.785 1.553) 2.443 11.703 ( 4.661 -2.929 -0.402) 5.520 11.783 ( 2.198 -3.890 -0.458) 4.492 12.047 ( -2.155 1.166 0.661) 2.538 12.133 ( -2.566 -3.311 -0.123) 4.191 12.877 ( -2.439 8.825 1.782) 9.328 12.938 ( -0.557 8.591 -1.923) 8.821 13.012 ( -0.830 4.559 -0.667) 4.682 13.066 ( -3.048 4.042 -0.423) 5.080 14.351 ( 1.187 1.871 -0.099) 2.219 14.429 ( 1.297 3.004 1.932) 3.800 14.483 ( 1.139 -1.101 -2.696) 3.127 14.536 ( 2.477 1.533 -0.259) 2.924 15.057 ( -0.150 -0.025 0.931) 0.943 15.251 ( 0.264 -9.729 -2.033) 9.943 15.577 ( 0.280 2.363 3.362) 4.119 15.674 ( -0.101 -1.737 2.336) 2.913 15.908 ( 2.850 5.233 -3.772) 7.052 15.982 ( 0.614 0.637 -3.337) 3.452 16.062 ( -1.170 5.641 -0.287) 5.768 16.125 ( 4.691 9.416 -1.865) 10.683 16.219 ( 2.525 4.589 0.464) 5.259 16.385 ( -0.822 6.456 -2.100) 6.839 16.537 ( 3.082 -1.031 -3.122) 4.507 16.626 ( 5.765 3.032 2.769) 7.078 16.844 ( -1.888 -2.806 2.039) 3.949 16.895 ( -4.983 -5.096 1.867) 7.368 17.032 ( 1.829 0.757 -1.470) 2.466 17.207 ( -3.815 -4.313 -4.196) 7.125 17.927 ( 0.931 -0.171 3.131) 3.271 18.088 ( 3.986 -3.804 -3.555) 6.557 18.319 ( -0.297 -5.962 2.047) 6.310 18.394 ( 1.371 -5.890 0.861) 6.109 21.687 ( 1.626 5.678 1.935) 6.215 21.729 ( -0.068 6.898 1.185) 7.000 21.994 ( 3.985 1.294 0.300) 4.201 22.081 ( 2.449 0.005 -0.077) 2.450 27.626 ( 2.019 0.535 4.985) 5.405 27.634 ( 2.040 0.292 3.181) 3.790 28.314 ( 7.242 5.537 -3.874) 9.905 28.479 ( 14.571 0.119 -7.459) 16.370 29.179 ( -0.339 -0.390 0.331) 0.613 29.194 ( -0.378 -1.312 0.057) 1.366 29.464 ( 2.509 3.273 -0.310) 4.135 29.548 ( 7.818 0.393 -2.409) 8.190 30.241 ( 1.523 0.989 2.346) 2.966 30.268 ( 2.211 -0.353 3.999) 4.583 30.744 ( 4.674 2.596 0.472) 5.367 30.797 ( 3.104 0.211 -0.356) 3.132 31.390 ( -3.461 2.765 2.355) 5.017 31.474 ( -1.893 -0.146 0.528) 1.970 31.742 ( -3.171 -1.092 -0.080) 3.354 31.826 ( -2.273 -4.288 -1.349) 5.038 31.965 ( -3.613 3.184 -1.087) 4.937 32.073 ( -5.806 -2.083 -1.983) 6.479 32.119 ( -5.650 5.648 1.840) 8.198 32.447 ( -10.090 -9.657 3.328) 14.357 32.650 ( -15.270 -1.736 -7.581) 17.136 32.709 ( -5.242 -2.897 1.043) 6.080 32.970 ( -10.325 0.341 3.545) 10.922 33.184 ( -8.296 -9.894 0.212) 12.914 34.414 ( 4.882 6.023 4.245) 8.839 34.523 ( 3.789 -0.235 2.227) 4.401 34.691 ( 5.074 6.150 -1.853) 8.186 34.923 ( 4.411 -4.780 -5.896) 8.779 ======================= Grid point 107 (55/88) ======================= q-point: ( 0.00 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.791 ( -0.958 -12.983 1.202) 13.074 1.791 ( -0.958 12.983 1.202) 13.074 2.132 ( -0.966 -12.072 8.939) 15.052 2.132 ( -0.966 12.072 8.939) 15.052 2.338 ( 4.221 -13.402 -2.806) 14.329 2.338 ( 4.221 13.402 -2.806) 14.329 2.645 ( -0.185 -14.236 4.387) 14.898 2.645 ( -0.185 14.236 4.387) 14.898 2.970 ( 0.601 -11.639 -2.869) 12.002 2.970 ( 0.601 11.639 -2.869) 12.002 3.104 ( -2.850 -5.523 -3.381) 7.075 3.104 ( -2.850 5.523 -3.381) 7.075 3.323 ( 1.113 -2.266 1.360) 2.868 3.323 ( 1.113 2.266 1.360) 2.868 3.548 ( 2.992 -7.193 3.574) 8.571 3.548 ( 2.992 7.193 3.574) 8.571 3.680 ( -1.941 -5.300 -7.460) 9.355 3.680 ( -1.941 5.300 -7.460) 9.355 3.914 ( 0.063 -3.079 0.441) 3.111 3.914 ( 0.063 3.079 0.441) 3.111 4.007 ( -0.758 -15.973 5.125) 16.792 4.007 ( -0.758 15.973 5.125) 16.792 4.235 ( 0.050 -2.382 4.295) 4.912 4.235 ( 0.050 2.382 4.295) 4.912 4.575 ( -5.134 -2.185 -2.339) 6.050 4.575 ( -5.134 2.185 -2.339) 6.050 4.818 ( 1.131 -9.087 0.213) 9.159 4.818 ( 1.131 9.087 0.213) 9.159 4.911 ( 4.386 -5.412 -3.950) 8.008 4.911 ( 4.386 5.412 -3.950) 8.008 5.240 ( 2.344 -2.685 -10.879) 11.448 5.240 ( 2.344 2.685 -10.879) 11.448 5.556 ( -1.024 -10.253 5.606) 11.730 5.556 ( -1.024 10.253 5.606) 11.730 5.881 ( 0.754 -7.930 -2.573) 8.371 5.881 ( 0.754 7.930 -2.573) 8.371 5.967 ( -3.999 -5.997 7.429) 10.351 5.967 ( -3.999 5.997 7.429) 10.351 6.207 ( 1.166 -4.195 -2.177) 4.868 6.207 ( 1.166 4.195 -2.177) 4.868 6.576 ( 0.053 -1.213 1.678) 2.072 6.576 ( 0.053 1.214 1.678) 2.072 7.023 ( -0.264 -4.350 -0.514) 4.389 7.023 ( -0.264 4.350 -0.514) 4.389 7.524 ( -2.490 -7.396 4.473) 8.995 7.524 ( -2.490 7.396 4.473) 8.995 7.798 ( 2.855 -13.288 -5.487) 14.657 7.798 ( 2.855 13.288 -5.487) 14.657 8.932 ( 2.337 -2.034 -3.974) 5.039 8.932 ( 2.337 2.034 -3.974) 5.039 8.983 ( -1.124 -2.641 -0.106) 2.872 8.983 ( -1.124 2.641 -0.106) 2.872 9.280 ( -1.855 -3.230 3.173) 4.893 9.280 ( -1.855 3.230 3.173) 4.893 9.518 ( 0.684 -12.224 -0.030) 12.243 9.518 ( 0.684 12.224 -0.030) 12.243 9.640 ( 4.021 -1.712 3.276) 5.462 9.640 ( 4.021 1.712 3.276) 5.462 9.932 ( -4.862 -2.251 0.340) 5.369 9.932 ( -4.862 2.251 0.340) 5.369 10.481 ( 0.895 -3.470 -3.133) 4.760 10.481 ( 0.895 3.470 -3.133) 4.760 10.777 ( 1.789 -3.262 -0.264) 3.729 10.777 ( 1.789 3.262 -0.264) 3.729 11.048 ( -4.241 -3.724 3.282) 6.529 11.048 ( -4.241 3.724 3.282) 6.529 11.317 ( 2.836 -2.882 -0.202) 4.048 11.317 ( 2.836 2.882 -0.202) 4.048 11.752 ( -0.208 -1.523 -0.333) 1.573 11.752 ( -0.208 1.523 -0.333) 1.573 12.025 ( -0.121 -1.541 -0.909) 1.793 12.025 ( -0.121 1.541 -0.909) 1.793 12.987 ( 0.184 -2.828 0.503) 2.879 12.987 ( 0.184 2.828 0.503) 2.879 13.061 ( 0.085 -0.931 -0.270) 0.973 13.061 ( 0.085 0.931 -0.270) 0.973 14.422 ( 0.409 -2.659 -0.267) 2.703 14.422 ( 0.409 2.659 -0.267) 2.703 14.540 ( -0.490 -3.091 0.438) 3.160 14.540 ( -0.490 3.091 0.438) 3.160 15.100 ( 0.056 -4.042 0.650) 4.095 15.100 ( 0.056 4.042 0.650) 4.095 15.636 ( -2.108 -2.451 2.328) 3.983 15.636 ( -2.108 2.451 2.328) 3.983 15.958 ( 1.758 -0.680 -3.685) 4.139 15.958 ( 1.758 0.680 -3.685) 4.139 16.176 ( -0.469 -4.912 2.234) 5.416 16.176 ( -0.469 4.912 2.234) 5.416 16.400 ( 2.961 -2.265 -4.205) 5.620 16.400 ( 2.961 2.265 -4.205) 5.620 16.593 ( -2.242 -2.410 -1.580) 3.652 16.593 ( -2.242 2.410 -1.580) 3.652 16.846 ( 0.721 -1.134 3.405) 3.661 16.846 ( 0.721 1.134 3.405) 3.661 17.049 ( 0.143 -2.056 -3.848) 4.365 17.049 ( 0.143 2.056 -3.848) 4.365 18.031 ( 0.540 -6.675 0.473) 6.714 18.031 ( 0.540 6.675 0.473) 6.714 18.275 ( -2.009 -3.983 -0.773) 4.528 18.275 ( -2.009 3.983 -0.773) 4.528 21.799 ( 0.112 -2.191 3.062) 3.767 21.799 ( 0.112 2.192 3.062) 3.767 22.079 ( -0.094 -2.325 -0.812) 2.465 22.079 ( -0.094 2.325 -0.812) 2.465 27.700 ( 0.523 -0.155 6.305) 6.328 27.700 ( 0.523 0.155 6.305) 6.328 28.449 ( -0.749 -5.237 -9.102) 10.528 28.449 ( -0.749 5.237 -9.102) 10.528 29.179 ( 0.231 -0.301 0.545) 0.664 29.179 ( 0.231 0.301 0.545) 0.664 29.553 ( -0.098 -3.007 -3.434) 4.566 29.553 ( -0.098 3.007 -3.434) 4.566 30.328 ( 0.905 -1.876 5.393) 5.781 30.328 ( 0.905 1.876 5.393) 5.781 30.829 ( 0.242 -0.775 0.297) 0.864 30.829 ( 0.242 0.775 0.297) 0.864 31.424 ( -1.249 -2.492 2.614) 3.822 31.424 ( -1.249 2.492 2.614) 3.822 31.724 ( 0.663 -2.366 -1.688) 2.981 31.724 ( 0.663 2.366 -1.688) 2.981 31.990 ( 1.457 -1.918 0.467) 2.453 31.990 ( 1.457 1.918 0.467) 2.453 32.085 ( -3.851 -0.919 -3.190) 5.084 32.085 ( -3.851 0.919 -3.190) 5.084 32.642 ( 3.293 -2.808 3.151) 5.353 32.642 ( 3.293 2.808 3.151) 5.353 32.931 ( -1.127 -4.905 -0.970) 5.125 32.931 ( -1.127 4.905 -0.970) 5.125 34.567 ( -0.520 -1.672 4.530) 4.856 34.567 ( -0.520 1.672 4.530) 4.856 34.837 ( 0.346 -4.946 -4.773) 6.883 34.837 ( 0.346 4.946 -4.773) 6.883 ======================= Grid point 109 (56/88) ======================= q-point: ( 0.10 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.832 ( 3.890 -4.563 1.704) 6.234 1.832 ( 3.890 4.563 1.704) 6.234 2.195 ( 2.345 -3.225 6.173) 7.349 2.195 ( 2.345 3.225 6.173) 7.349 2.477 ( 10.217 -4.990 -3.279) 11.833 2.477 ( 10.217 4.990 -3.279) 11.833 2.680 ( 2.277 -8.433 0.319) 8.741 2.680 ( 2.277 8.433 0.319) 8.741 3.016 ( 2.952 -2.670 -1.184) 4.153 3.016 ( 2.952 2.670 -1.184) 4.153 3.153 ( 9.827 -5.367 0.890) 11.232 3.153 ( 9.827 5.367 0.890) 11.232 3.424 ( 7.306 -3.284 0.878) 8.058 3.424 ( 7.306 3.284 0.878) 8.058 3.573 ( 3.863 -10.533 -3.895) 11.876 3.573 ( 3.863 10.533 -3.895) 11.876 3.698 ( 2.750 -3.474 2.041) 4.879 3.698 ( 2.750 3.474 2.041) 4.879 3.921 ( 3.426 -7.057 -0.688) 7.875 3.921 ( 3.426 7.057 -0.688) 7.875 4.100 ( 4.937 -6.890 4.881) 9.782 4.100 ( 4.937 6.890 4.881) 9.782 4.229 ( -1.223 -1.483 -3.783) 4.243 4.229 ( -1.223 1.483 -3.783) 4.243 4.525 ( 0.144 -2.376 5.232) 5.749 4.525 ( 0.144 2.376 5.232) 5.749 4.831 ( 0.792 -7.257 -2.582) 7.743 4.831 ( 0.792 7.257 -2.582) 7.743 4.986 ( 5.355 -2.058 -4.672) 7.399 4.986 ( 5.355 2.058 -4.672) 7.399 5.233 ( 5.437 -2.253 -8.007) 9.938 5.233 ( 5.437 2.253 -8.007) 9.938 5.614 ( 1.966 -8.871 5.470) 10.606 5.614 ( 1.966 8.871 5.470) 10.606 5.819 ( -5.009 -11.786 -0.492) 12.816 5.819 ( -5.009 11.786 -0.492) 12.816 5.920 ( -5.262 -6.096 3.465) 8.766 5.920 ( -5.262 6.096 3.465) 8.766 6.234 ( 2.491 -5.826 -0.379) 6.348 6.234 ( 2.491 5.826 -0.379) 6.348 6.601 ( 1.164 -2.812 1.670) 3.471 6.601 ( 1.164 2.812 1.670) 3.471 6.987 ( -2.747 -5.743 -0.610) 6.396 6.987 ( -2.747 5.743 -0.610) 6.396 7.478 ( -5.590 -4.773 4.154) 8.444 7.478 ( -5.590 4.773 4.154) 8.444 7.769 ( -1.893 -11.000 -4.809) 12.154 7.769 ( -1.893 11.000 -4.809) 12.154 8.801 ( -9.359 -3.055 -4.379) 10.776 8.801 ( -9.359 3.055 -4.379) 10.776 8.972 ( -3.406 -3.900 0.922) 5.259 8.972 ( -3.406 3.900 0.922) 5.259 9.240 ( -2.565 -6.851 2.686) 7.792 9.240 ( -2.565 6.851 2.686) 7.792 9.600 ( 6.396 -9.784 0.664) 11.708 9.600 ( 6.396 9.784 0.664) 11.708 9.698 ( -1.812 -6.151 -4.418) 7.787 9.698 ( -1.812 6.151 -4.418) 7.787 9.884 ( 0.866 -1.329 6.633) 6.820 9.884 ( 0.866 1.329 6.633) 6.820 10.452 ( -1.324 -4.103 -2.333) 4.902 10.452 ( -1.324 4.103 -2.333) 4.902 10.815 ( 2.258 -2.019 -2.963) 4.237 10.815 ( 2.258 2.019 -2.963) 4.237 10.987 ( -4.803 -3.256 3.690) 6.876 10.987 ( -4.803 3.256 3.690) 6.876 11.385 ( 3.889 -2.404 0.329) 4.583 11.385 ( 3.889 2.404 0.329) 4.583 11.706 ( -3.600 -2.133 0.018) 4.184 11.706 ( -3.600 2.133 0.018) 4.184 12.060 ( 3.527 -3.291 -0.564) 4.857 12.060 ( 3.527 3.291 -0.564) 4.857 13.007 ( 1.415 -3.983 0.326) 4.239 13.007 ( 1.415 3.983 0.326) 4.239 13.083 ( 2.573 -1.241 -0.302) 2.872 13.083 ( 2.573 1.241 -0.302) 2.872 14.400 ( -2.149 -1.229 -1.150) 2.730 14.400 ( -2.149 1.229 -1.150) 2.730 14.531 ( -0.888 -3.362 1.228) 3.688 14.531 ( -0.888 3.362 1.228) 3.688 15.105 ( 0.108 -2.309 0.242) 2.325 15.105 ( 0.108 2.309 0.242) 2.325 15.597 ( -3.218 -3.072 1.774) 4.790 15.597 ( -3.218 3.072 1.774) 4.790 15.978 ( 2.484 -1.118 -2.535) 3.721 15.978 ( 2.484 1.118 -2.535) 3.721 16.175 ( -1.306 -4.626 1.457) 5.022 16.175 ( -1.306 4.626 1.457) 5.022 16.372 ( -2.535 -4.905 -4.741) 7.277 16.372 ( -2.535 4.905 -4.741) 7.277 16.558 ( -0.017 -3.103 1.015) 3.264 16.558 ( -0.017 3.103 1.015) 3.264 16.893 ( 1.269 -4.939 3.125) 5.981 16.893 ( 1.269 4.939 3.125) 5.981 17.042 ( 2.319 -4.594 -4.443) 6.799 17.042 ( 2.319 4.594 -4.443) 6.799 18.003 ( -3.443 -7.778 0.359) 8.513 18.003 ( -3.443 7.778 0.359) 8.513 18.239 ( -1.437 -4.080 0.897) 4.418 18.239 ( -1.437 4.080 0.897) 4.418 21.816 ( -0.645 -2.816 2.408) 3.761 21.816 ( -0.645 2.816 2.408) 3.761 22.031 ( -3.905 -1.493 -0.896) 4.276 22.031 ( -3.905 1.493 -0.896) 4.276 27.738 ( -1.490 -0.105 5.381) 5.585 27.738 ( -1.490 0.105 5.381) 5.585 28.282 ( -9.262 -2.566 -6.969) 11.872 28.282 ( -9.262 2.566 -6.969) 11.872 29.193 ( 0.761 -0.404 0.315) 0.917 29.193 ( 0.761 0.404 0.315) 0.917 29.491 ( -3.434 -1.086 -1.555) 3.923 29.491 ( -3.434 1.086 -1.555) 3.923 30.337 ( -2.834 -0.976 2.699) 4.034 30.337 ( -2.834 0.976 2.699) 4.034 30.792 ( -4.418 -0.411 -0.027) 4.437 30.792 ( -4.418 0.411 -0.027) 4.437 31.440 ( 1.514 -2.474 1.989) 3.517 31.440 ( 1.514 2.474 1.989) 3.517 31.756 ( 3.466 -1.530 -1.503) 4.076 31.756 ( 3.466 1.530 -1.503) 4.076 32.038 ( 3.082 -0.531 -2.462) 3.980 32.038 ( 3.082 0.531 -2.462) 3.980 32.143 ( 9.570 -2.605 2.793) 10.304 32.143 ( 9.570 2.605 2.793) 10.304 32.785 ( 9.895 -1.935 -2.263) 10.334 32.785 ( 9.895 1.935 -2.263) 10.334 32.994 ( 8.333 -2.194 1.591) 8.762 32.994 ( 8.333 2.194 1.591) 8.762 34.544 ( -5.651 -2.435 4.822) 7.817 34.544 ( -5.651 2.435 4.822) 7.817 34.761 ( -4.071 -4.226 -4.752) 7.551 34.761 ( -4.071 4.226 -4.752) 7.551 ======================= Grid point 111 (57/88) ======================= q-point: ( 0.20 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.965 ( 8.909 -5.598 2.149) 10.739 1.965 ( 8.909 5.598 2.149) 10.739 2.318 ( 7.167 -8.221 0.337) 10.912 2.318 ( 7.167 8.221 0.337) 10.912 2.611 ( 8.166 -8.534 -6.610) 13.535 2.611 ( 8.166 8.534 -6.610) 13.535 2.713 ( 1.469 -13.448 2.052) 13.683 2.713 ( 1.469 13.448 2.052) 13.683 3.108 ( 5.447 -2.576 1.480) 6.205 3.108 ( 5.447 2.576 1.480) 6.205 3.298 ( 1.938 -4.163 -1.089) 4.720 3.298 ( 1.938 4.163 -1.089) 4.720 3.569 ( 8.432 -3.887 -0.920) 9.330 3.569 ( 8.432 3.887 -0.920) 9.330 3.715 ( 11.092 -6.624 -2.739) 13.207 3.715 ( 11.092 6.624 -2.739) 13.207 3.793 ( 7.037 -3.017 2.262) 7.984 3.793 ( 7.037 3.017 2.262) 7.984 4.019 ( 3.867 -4.272 -1.088) 5.864 4.019 ( 3.867 4.272 -1.088) 5.864 4.159 ( 2.066 -1.798 0.301) 2.755 4.159 ( 2.066 1.798 0.301) 2.755 4.294 ( 8.270 -8.648 3.512) 12.471 4.294 ( 8.270 8.648 3.512) 12.471 4.618 ( 3.967 -0.154 5.881) 7.095 4.618 ( 3.967 0.154 5.881) 7.095 4.820 ( 2.511 -4.510 -3.666) 6.331 4.820 ( 2.511 4.510 -3.666) 6.331 5.059 ( 6.819 -7.571 -5.255) 11.464 5.059 ( 6.819 7.571 -5.255) 11.464 5.280 ( 3.882 -6.232 -5.232) 9.015 5.280 ( 3.882 6.232 -5.232) 9.015 5.653 ( -4.349 -11.143 3.588) 12.488 5.653 ( -4.349 11.143 3.588) 12.488 5.742 ( -1.397 -3.678 2.041) 4.432 5.742 ( -1.397 3.678 2.041) 4.432 5.855 ( -1.841 -1.132 0.390) 2.196 5.855 ( -1.841 1.132 0.390) 2.196 6.286 ( 1.818 -6.351 2.099) 6.931 6.286 ( 1.818 6.351 2.099) 6.931 6.647 ( 2.316 -2.757 1.978) 4.108 6.647 ( 2.316 2.757 1.978) 4.108 6.921 ( -3.120 -8.928 -1.588) 9.590 6.921 ( -3.120 8.928 -1.588) 9.590 7.389 ( -6.883 -1.324 3.792) 7.969 7.389 ( -6.883 1.324 3.792) 7.969 7.658 ( -5.766 -6.733 -4.432) 9.910 7.658 ( -5.766 6.733 -4.432) 9.910 8.563 ( -11.414 -4.502 -3.434) 12.742 8.563 ( -11.414 4.502 -3.434) 12.742 8.887 ( -5.944 -5.657 2.109) 8.472 8.887 ( -5.944 5.657 2.109) 8.472 9.239 ( 0.024 -3.880 1.695) 4.235 9.239 ( 0.024 3.880 1.695) 4.235 9.570 ( -3.715 -4.897 -6.137) 8.686 9.570 ( -3.715 4.897 -6.137) 8.686 9.732 ( 4.498 -7.291 0.830) 8.607 9.732 ( 4.498 7.291 0.830) 8.607 9.980 ( 2.361 -6.154 5.628) 8.667 9.980 ( 2.361 6.154 5.628) 8.667 10.418 ( -0.465 -3.919 -1.044) 4.083 10.418 ( -0.465 3.919 -1.044) 4.083 10.794 ( -0.957 -2.260 -4.733) 5.332 10.794 ( -0.957 2.260 -4.733) 5.332 10.937 ( -4.190 -2.256 5.038) 6.930 10.937 ( -4.190 2.256 5.038) 6.930 11.442 ( 1.860 -3.129 -0.455) 3.668 11.442 ( 1.860 3.129 -0.455) 3.668 11.642 ( -2.887 -2.569 -0.266) 3.874 11.642 ( -2.887 2.569 -0.266) 3.874 12.120 ( 2.495 -1.591 0.242) 2.969 12.120 ( 2.495 1.591 0.242) 2.969 13.043 ( 2.120 -4.506 0.451) 5.000 13.043 ( 2.120 4.506 0.451) 5.000 13.145 ( 4.049 -2.278 -0.761) 4.708 13.145 ( 4.049 2.278 -0.761) 4.708 14.339 ( -2.817 -0.906 -1.319) 3.239 14.339 ( -2.817 0.906 -1.319) 3.239 14.523 ( -1.079 -2.913 1.165) 3.318 14.523 ( -1.079 2.913 1.165) 3.318 15.112 ( 0.767 -0.625 -0.034) 0.990 15.112 ( 0.767 0.625 -0.034) 0.990 15.553 ( -2.785 -2.693 1.331) 4.096 15.553 ( -2.785 2.693 1.331) 4.096 16.000 ( 0.817 -1.616 -0.877) 2.012 16.000 ( 0.817 1.616 -0.877) 2.012 16.145 ( -2.712 -6.019 0.290) 6.608 16.145 ( -2.712 6.019 0.290) 6.608 16.289 ( -1.829 -9.732 -2.263) 10.157 16.289 ( -1.829 9.732 -2.263) 10.157 16.587 ( 1.697 -2.956 1.067) 3.572 16.587 ( 1.697 2.956 1.067) 3.572 16.940 ( 1.584 -6.335 1.687) 6.745 16.940 ( 1.584 6.335 1.687) 6.745 17.057 ( 2.286 -5.593 -3.416) 6.942 17.057 ( 2.286 5.593 -3.416) 6.942 17.939 ( -3.044 -5.826 0.543) 6.595 17.939 ( -3.044 5.826 0.543) 6.595 18.223 ( -1.857 -3.973 2.010) 4.824 18.223 ( -1.857 3.973 2.010) 4.824 21.808 ( -1.595 -4.039 0.655) 4.392 21.808 ( -1.595 4.039 0.655) 4.392 21.943 ( -4.175 -2.718 -0.320) 4.992 21.943 ( -4.175 2.718 -0.320) 4.992 27.715 ( -3.304 -0.320 -0.116) 3.322 27.715 ( -3.304 0.320 -0.116) 3.322 28.048 ( -11.433 -0.317 0.013) 11.437 28.048 ( -11.433 0.317 0.013) 11.437 29.209 ( 0.961 -0.376 -0.331) 1.084 29.209 ( 0.961 0.376 -0.331) 1.084 29.421 ( -3.202 -0.048 0.041) 3.203 29.421 ( -3.202 0.048 0.041) 3.203 30.295 ( -1.956 -0.213 -0.262) 1.985 30.295 ( -1.956 0.213 -0.262) 1.985 30.680 ( -6.792 -0.847 -0.015) 6.844 30.680 ( -6.792 0.847 -0.015) 6.844 31.510 ( 4.174 -2.646 1.536) 5.175 31.510 ( 4.174 2.646 1.536) 5.175 31.813 ( 3.399 -0.868 -1.389) 3.773 31.813 ( 3.399 0.868 -1.389) 3.773 32.084 ( 3.574 -0.700 -1.516) 3.945 32.084 ( 3.574 0.700 -1.516) 3.945 32.385 ( 10.488 -7.425 5.932) 14.154 32.385 ( 10.488 7.425 5.932) 14.154 32.942 ( 11.480 -5.402 -8.167) 15.089 32.942 ( 11.480 5.402 -8.167) 15.089 33.247 ( 14.281 -5.141 3.649) 15.611 33.247 ( 14.281 5.141 3.649) 15.611 34.436 ( -8.776 -4.102 3.283) 10.229 34.436 ( -8.776 4.102 3.283) 10.229 34.638 ( -5.269 -4.979 -2.783) 7.765 34.638 ( -5.269 4.979 -2.783) 7.765 ======================= Grid point 113 (58/88) ======================= q-point: ( 0.30 -0.50 -0.75) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.194 ( 12.543 -3.839 2.714) 13.396 2.194 ( 12.543 3.839 2.714) 13.396 2.416 ( 5.558 -5.127 -5.971) 9.635 2.416 ( 5.558 5.127 -5.971) 9.635 2.737 ( 7.176 -9.776 2.413) 12.365 2.737 ( 7.176 9.776 2.413) 12.365 2.803 ( 7.230 -9.574 -0.939) 12.034 2.803 ( 7.230 9.574 -0.939) 12.034 3.192 ( 2.245 -4.700 0.312) 5.218 3.192 ( 2.245 4.700 0.312) 5.218 3.265 ( -1.947 -5.216 -0.901) 5.640 3.265 ( -1.947 5.216 -0.901) 5.640 3.681 ( 3.389 -6.090 -1.245) 7.080 3.681 ( 3.389 6.090 -1.245) 7.080 3.788 ( -0.290 -6.596 -3.486) 7.466 3.788 ( -0.290 6.596 -3.486) 7.466 3.939 ( 3.858 -4.595 1.603) 6.210 3.939 ( 3.858 4.595 1.603) 6.210 4.089 ( 5.289 -6.492 0.955) 8.428 4.089 ( 5.289 6.492 0.955) 8.428 4.259 ( 5.098 -3.803 0.339) 6.370 4.259 ( 5.098 3.803 0.339) 6.370 4.422 ( 1.109 -1.381 6.246) 6.492 4.422 ( 1.109 1.381 6.246) 6.492 4.794 ( 9.785 -2.868 -0.168) 10.198 4.794 ( 9.785 2.868 -0.168) 10.198 4.904 ( 9.561 -4.747 -2.114) 10.881 4.904 ( 9.561 4.747 -2.114) 10.881 5.125 ( 1.587 -9.426 1.664) 9.703 5.125 ( 1.587 9.426 1.664) 9.703 5.353 ( 10.287 -6.183 -8.986) 14.994 5.353 ( 10.287 6.183 -8.986) 14.994 5.578 ( -1.888 -6.617 0.678) 6.914 5.578 ( -1.888 6.617 0.678) 6.914 5.733 ( -2.921 -2.881 2.012) 4.570 5.733 ( -2.921 2.881 2.012) 4.570 5.863 ( 0.627 -7.298 1.616) 7.501 5.863 ( 0.627 7.298 1.616) 7.501 6.314 ( -1.210 -5.236 2.975) 6.142 6.314 ( -1.210 5.236 2.975) 6.142 6.713 ( 2.927 -2.554 1.603) 4.203 6.713 ( 2.927 2.554 1.603) 4.203 6.860 ( -1.297 -9.604 -2.408) 9.986 6.860 ( -1.297 9.604 -2.408) 9.986 7.280 ( -7.342 -1.692 3.003) 8.111 7.280 ( -7.342 1.693 3.003) 8.111 7.506 ( -6.254 -2.980 -3.954) 7.977 7.506 ( -6.254 2.980 -3.954) 7.977 8.359 ( -7.953 -4.391 -0.555) 9.101 8.359 ( -7.953 4.391 -0.555) 9.101 8.797 ( -5.161 -4.655 1.930) 7.213 8.797 ( -5.161 4.655 1.930) 7.213 9.253 ( -0.053 -2.031 1.833) 2.736 9.253 ( -0.053 2.031 1.833) 2.736 9.474 ( -2.115 -3.157 -4.797) 6.120 9.474 ( -2.115 3.157 -4.797) 6.120 9.777 ( 0.471 -3.453 -0.395) 3.507 9.777 ( 0.471 3.453 -0.395) 3.507 10.056 ( 2.885 -7.088 2.016) 7.914 10.056 ( 2.885 7.088 2.016) 7.914 10.421 ( 0.848 -3.697 0.079) 3.794 10.421 ( 0.848 3.697 0.079) 3.794 10.734 ( -1.827 -2.553 -2.960) 4.315 10.734 ( -1.827 2.553 -2.960) 4.315 10.889 ( -5.146 -4.708 5.210) 8.705 10.889 ( -5.146 4.708 5.210) 8.705 11.450 ( -0.019 -6.882 -1.381) 7.020 11.450 ( -0.019 6.882 -1.381) 7.020 11.592 ( -1.825 -2.024 -1.043) 2.918 11.592 ( -1.825 2.024 -1.043) 2.918 12.151 ( 0.740 -1.113 0.209) 1.353 12.151 ( 0.740 1.113 0.209) 1.353 13.089 ( 1.963 -4.355 0.945) 4.870 13.089 ( 1.963 4.355 0.945) 4.870 13.212 ( 3.765 -2.637 -1.419) 4.811 13.212 ( 3.765 2.637 -1.419) 4.811 14.289 ( -1.822 -1.080 0.106) 2.121 14.289 ( -1.822 1.080 0.106) 2.121 14.510 ( -0.713 -3.195 0.021) 3.274 14.510 ( -0.713 3.195 0.021) 3.274 15.141 ( 2.279 -1.561 0.429) 2.796 15.141 ( 2.279 1.561 0.429) 2.796 15.503 ( -3.495 -2.032 0.238) 4.049 15.503 ( -3.495 2.032 0.238) 4.049 15.981 ( -3.105 -1.189 1.573) 3.678 15.981 ( -3.105 1.189 1.573) 3.678 16.102 ( -0.724 -4.713 -1.063) 4.886 16.102 ( -0.724 4.713 -1.063) 4.886 16.279 ( 1.272 -6.640 -0.674) 6.795 16.279 ( 1.272 6.640 -0.674) 6.795 16.632 ( 2.622 -2.874 -0.356) 3.906 16.632 ( 2.622 2.874 -0.356) 3.906 16.967 ( 0.859 -4.733 -0.865) 4.887 16.967 ( 0.859 4.733 -0.865) 4.887 17.079 ( 1.405 -6.244 0.288) 6.406 17.079 ( 1.405 6.244 0.288) 6.406 17.902 ( -1.350 -3.600 0.342) 3.860 17.902 ( -1.350 3.600 0.342) 3.860 18.194 ( -2.492 -3.877 1.317) 4.793 18.194 ( -2.492 3.877 1.317) 4.793 21.768 ( -2.234 -4.429 -0.814) 5.027 21.768 ( -2.234 4.429 -0.814) 5.027 21.886 ( -2.032 -3.973 0.543) 4.495 21.886 ( -2.032 3.973 0.543) 4.495 27.619 ( -4.173 -0.337 -4.143) 5.890 27.619 ( -4.173 0.337 -4.143) 5.890 27.881 ( -8.285 -0.310 4.458) 9.413 27.881 ( -8.285 0.310 4.458) 9.413 29.222 ( 0.923 -0.255 -0.885) 1.304 29.222 ( 0.923 0.255 -0.885) 1.304 29.375 ( -2.058 -0.151 0.745) 2.194 29.375 ( -2.058 0.151 0.745) 2.194 30.267 ( -0.340 -1.214 -1.368) 1.861 30.267 ( -0.340 1.214 -1.368) 1.861 30.557 ( -6.069 -1.796 0.502) 6.349 30.557 ( -6.069 1.796 0.502) 6.349 31.608 ( 4.659 -2.466 1.475) 5.474 31.608 ( 4.659 2.466 1.475) 5.474 31.848 ( 1.396 -1.754 -1.735) 2.835 31.848 ( 1.396 1.754 -1.735) 2.835 32.156 ( 4.113 -0.901 1.275) 4.400 32.156 ( 4.113 0.901 1.275) 4.400 32.569 ( 4.971 -7.439 2.396) 9.262 32.569 ( 4.971 7.439 2.396) 9.262 33.113 ( 12.245 -7.493 -5.612) 15.414 33.113 ( 12.245 7.493 -5.612) 15.414 33.529 ( 12.302 -7.674 2.660) 14.741 33.529 ( 12.302 7.674 2.660) 14.741 34.279 ( -9.150 -4.670 0.793) 10.304 34.279 ( -9.150 4.670 0.793) 10.304 34.537 ( -3.847 -7.091 -0.676) 8.096 34.537 ( -3.847 7.091 -0.676) 8.096 ======================= Grid point 115 (59/88) ======================= q-point: ( 0.40 -0.50 -0.75) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.413 ( 7.917 -3.927 -0.407) 8.847 2.413 ( 7.917 3.927 -0.407) 8.847 2.503 ( 6.823 -7.030 0.942) 9.842 2.503 ( 6.823 7.030 0.942) 9.842 2.861 ( 5.775 -4.756 -3.139) 8.113 2.861 ( 5.775 4.756 -3.139) 8.113 2.924 ( 2.899 -4.222 1.969) 5.488 2.924 ( 2.899 4.222 1.969) 5.488 3.210 ( 1.077 -8.286 -1.292) 8.455 3.210 ( 1.077 8.286 -1.292) 8.455 3.272 ( 2.276 -5.684 3.059) 6.844 3.272 ( 2.276 5.684 3.059) 6.844 3.636 ( -5.787 -6.204 0.898) 8.532 3.636 ( -5.787 6.204 0.898) 8.532 3.777 ( 0.185 -1.700 -0.152) 1.717 3.777 ( 0.185 1.700 -0.152) 1.717 3.985 ( -2.712 -2.845 4.159) 5.722 3.985 ( -2.712 2.845 4.159) 5.722 4.128 ( 0.841 -0.838 0.401) 1.253 4.128 ( 0.841 0.838 0.401) 1.253 4.325 ( 3.808 -4.261 -2.137) 6.101 4.325 ( 3.808 4.261 -2.137) 6.101 4.506 ( 3.493 -5.423 1.221) 6.565 4.506 ( 3.493 5.423 1.221) 6.565 4.853 ( 2.837 -7.929 -5.778) 10.212 4.853 ( 2.837 7.929 -5.778) 10.212 5.112 ( 4.895 -0.395 3.850) 6.240 5.112 ( 4.895 0.395 3.850) 6.240 5.184 ( 4.373 -2.530 0.135) 5.054 5.184 ( 4.373 2.530 0.134) 5.054 5.449 ( 5.055 -4.943 -4.741) 8.512 5.449 ( 5.055 4.943 -4.741) 8.512 5.622 ( 0.523 -10.294 -2.510) 10.608 5.622 ( 0.523 10.294 -2.510) 10.608 5.697 ( 3.622 -6.474 -0.188) 7.421 5.697 ( 3.622 6.474 -0.188) 7.421 5.872 ( -1.366 -6.885 2.844) 7.574 5.872 ( -1.366 6.885 2.844) 7.574 6.291 ( -1.926 -4.900 0.070) 5.265 6.291 ( -1.926 4.900 0.070) 5.265 6.764 ( 1.618 -2.208 0.195) 2.744 6.764 ( 1.618 2.208 0.195) 2.744 6.848 ( 1.556 -6.536 -1.165) 6.819 6.848 ( 1.556 6.536 -1.165) 6.819 7.162 ( -7.834 -2.474 3.473) 8.919 7.162 ( -7.834 2.474 3.473) 8.919 7.396 ( -1.975 -1.256 -2.824) 3.668 7.396 ( -1.975 1.256 -2.824) 3.668 8.264 ( -3.188 -3.859 2.671) 5.673 8.264 ( -3.188 3.859 2.671) 5.673 8.725 ( -3.403 -4.149 0.638) 5.403 8.725 ( -3.403 4.149 0.638) 5.403 9.264 ( -0.730 -3.966 2.868) 4.949 9.264 ( -0.730 3.966 2.868) 4.949 9.416 ( -0.220 -2.955 -3.797) 4.817 9.416 ( -0.220 2.955 -3.797) 4.817 9.771 ( -0.236 -5.710 -0.482) 5.735 9.771 ( -0.236 5.710 -0.482) 5.735 10.110 ( 1.838 -5.231 -0.788) 5.601 10.110 ( 1.838 5.231 -0.788) 5.601 10.442 ( 1.398 -3.102 0.319) 3.417 10.442 ( 1.398 3.102 0.319) 3.417 10.675 ( -2.447 -1.788 -3.354) 4.521 10.675 ( -2.447 1.788 -3.354) 4.521 10.843 ( -3.570 -5.173 6.647) 9.148 10.843 ( -3.570 5.173 6.647) 9.148 11.430 ( -0.553 -8.883 -1.842) 9.088 11.430 ( -0.553 8.883 -1.842) 9.088 11.560 ( -0.722 -1.594 -1.096) 2.065 11.560 ( -0.722 1.594 -1.096) 2.065 12.155 ( -0.020 -2.185 -0.584) 2.262 12.155 ( -0.020 2.185 -0.584) 2.262 13.124 ( 0.755 -3.241 1.316) 3.579 13.124 ( 0.755 3.241 1.316) 3.579 13.261 ( 2.538 -2.291 -1.680) 3.809 13.261 ( 2.538 2.291 -1.680) 3.809 14.275 ( -0.520 -1.423 2.141) 2.623 14.275 ( -0.520 1.423 2.141) 2.623 14.495 ( -0.360 -3.509 -1.436) 3.809 14.495 ( -0.360 3.509 -1.436) 3.809 15.203 ( 3.469 -1.813 0.955) 4.029 15.203 ( 3.469 1.813 0.955) 4.029 15.422 ( -4.412 -1.866 -1.108) 4.917 15.422 ( -4.412 1.866 -1.108) 4.917 15.934 ( -2.920 -0.112 2.486) 3.837 15.934 ( -2.920 0.112 2.486) 3.837 16.096 ( 0.690 -4.289 -1.526) 4.604 16.096 ( 0.690 4.289 -1.526) 4.604 16.304 ( 1.189 -2.677 0.129) 2.932 16.304 ( 1.189 2.677 0.129) 2.932 16.666 ( 1.791 -3.876 -2.772) 5.091 16.666 ( 1.791 3.876 -2.772) 5.091 16.978 ( 1.108 -2.571 0.511) 2.846 16.978 ( 1.108 2.571 0.511) 2.846 17.105 ( 0.184 -6.555 1.589) 6.748 17.105 ( 0.184 6.555 1.589) 6.748 17.888 ( -0.424 -2.645 0.045) 2.679 17.888 ( -0.424 2.645 0.045) 2.679 18.156 ( -1.921 -3.470 0.272) 3.976 18.156 ( -1.921 3.470 0.272) 3.976 21.728 ( -1.199 -2.555 -0.627) 2.891 21.728 ( -1.199 2.555 -0.627) 2.891 21.864 ( -0.851 -2.302 0.273) 2.470 21.864 ( -0.851 2.302 0.273) 2.470 27.539 ( -1.432 -0.389 -1.270) 1.954 27.539 ( -1.432 0.389 -1.270) 1.954 27.779 ( -5.438 -0.751 1.448) 5.677 27.779 ( -5.438 0.751 1.448) 5.677 29.232 ( 0.833 -0.118 -0.830) 1.181 29.232 ( 0.833 0.118 -0.830) 1.181 29.351 ( -1.197 -0.165 0.830) 1.467 29.351 ( -1.197 0.165 0.830) 1.467 30.265 ( 0.997 -1.485 -0.501) 1.858 30.265 ( 0.997 1.485 -0.501) 1.858 30.464 ( -4.145 -1.788 0.224) 4.519 30.464 ( -4.145 1.788 0.224) 4.519 31.698 ( 3.318 -2.166 1.545) 4.253 31.698 ( 3.318 2.166 1.545) 4.253 31.842 ( -0.182 -2.357 -2.219) 3.243 31.842 ( -0.182 2.357 -2.219) 3.243 32.245 ( 2.876 -1.388 3.696) 4.884 32.245 ( 2.876 1.388 3.696) 4.884 32.615 ( 0.830 -2.231 -2.974) 3.810 32.615 ( 0.830 2.231 -2.974) 3.810 33.301 ( 9.449 -9.299 -0.169) 13.259 33.301 ( 9.449 9.299 -0.169) 13.259 33.730 ( 6.877 -11.110 1.133) 13.115 33.730 ( 6.877 11.110 1.133) 13.115 34.119 ( -7.299 -5.333 -0.443) 9.050 34.119 ( -7.299 5.333 -0.443) 9.050 34.482 ( -1.635 -8.560 -0.379) 8.723 34.482 ( -1.635 8.560 -0.379) 8.723 ======================= Grid point 117 (60/88) ======================= q-point: (-0.50 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.528 ( 3.219 -2.065 2.365) 4.496 2.528 ( 3.219 2.065 2.365) 4.496 2.580 ( -0.619 -7.110 0.479) 7.153 2.580 ( -0.619 7.110 0.479) 7.153 2.843 ( -6.315 -4.843 0.430) 7.969 2.843 ( -6.315 4.843 0.430) 7.969 3.000 ( 6.932 -2.881 -4.324) 8.664 3.000 ( 6.932 2.881 -4.324) 8.664 3.187 ( -3.990 -2.576 0.254) 4.756 3.187 ( -3.990 2.576 0.254) 4.756 3.370 ( 3.494 -2.441 2.825) 5.113 3.370 ( 3.494 2.442 2.825) 5.113 3.585 ( 0.071 -9.804 3.077) 10.276 3.585 ( 0.071 9.804 3.077) 10.276 3.748 ( -1.514 -0.444 0.363) 1.619 3.748 ( -1.514 0.444 0.363) 1.619 3.957 ( -3.071 -1.428 6.508) 7.337 3.957 ( -3.071 1.428 6.508) 7.337 4.157 ( 1.776 -7.389 -0.509) 7.617 4.157 ( 1.776 7.389 -0.509) 7.617 4.396 ( 2.285 -6.730 2.528) 7.544 4.396 ( 2.285 6.730 2.528) 7.544 4.534 ( 1.172 -3.718 -4.596) 6.026 4.534 ( 1.172 3.718 -4.596) 6.026 4.838 ( 1.510 -7.765 -9.552) 12.402 4.838 ( 1.510 7.765 -9.552) 12.402 5.126 ( -5.427 -5.068 4.505) 8.685 5.126 ( -5.427 5.068 4.505) 8.685 5.261 ( 3.966 -7.707 0.135) 8.668 5.261 ( 3.966 7.707 0.135) 8.668 5.472 ( -0.426 -1.319 -3.684) 3.936 5.472 ( -0.426 1.319 -3.684) 3.936 5.540 ( -3.582 -4.829 -1.774) 6.269 5.540 ( -3.582 4.829 -1.774) 6.269 5.757 ( -3.719 -6.668 1.628) 7.806 5.757 ( -3.719 6.668 1.628) 7.806 5.900 ( 4.493 -3.140 -0.811) 5.542 5.900 ( 4.493 3.140 -0.811) 5.542 6.261 ( -0.367 -3.272 -1.017) 3.445 6.261 ( -0.367 3.272 -1.017) 3.446 6.788 ( -0.299 -5.054 0.698) 5.111 6.788 ( -0.299 5.054 0.698) 5.111 6.891 ( 4.654 -1.067 -2.985) 5.631 6.891 ( 4.654 1.067 -2.985) 5.631 7.055 ( -5.376 -3.939 4.756) 8.188 7.055 ( -5.376 3.939 4.756) 8.188 7.385 ( 1.961 -1.335 -1.623) 2.874 7.385 ( 1.961 1.335 -1.623) 2.874 8.270 ( 0.588 -4.212 4.560) 6.235 8.270 ( 0.588 4.212 4.560) 6.235 8.683 ( -0.941 -4.647 -0.671) 4.789 8.683 ( -0.941 4.647 -0.671) 4.789 9.263 ( -1.473 -5.919 2.647) 6.649 9.263 ( -1.473 5.919 2.647) 6.649 9.419 ( 2.730 -4.809 -2.276) 5.980 9.419 ( 2.730 4.809 -2.276) 5.980 9.767 ( 0.061 -5.604 -0.263) 5.611 9.767 ( 0.061 5.604 -0.263) 5.611 10.104 ( -1.057 -4.173 -2.333) 4.896 10.104 ( -1.057 4.173 -2.333) 4.896 10.475 ( 0.042 -3.116 1.824) 3.611 10.475 ( 0.042 3.116 1.824) 3.611 10.604 ( -0.207 -0.472 -4.200) 4.232 10.604 ( -0.207 0.472 -4.200) 4.232 10.867 ( 0.305 -3.183 6.478) 7.224 10.867 ( 0.305 3.183 6.478) 7.224 11.406 ( -0.475 -7.610 -1.949) 7.870 11.406 ( -0.475 7.610 -1.949) 7.870 11.550 ( 0.651 -1.689 -1.123) 2.130 11.550 ( 0.651 1.689 -1.123) 2.130 12.145 ( -0.275 -2.502 -1.029) 2.719 12.145 ( -0.275 2.502 -1.029) 2.719 13.136 ( -0.642 -1.700 1.405) 2.297 13.136 ( -0.642 1.700 1.405) 2.297 13.280 ( 0.752 -2.394 -1.629) 2.992 13.280 ( 0.752 2.394 -1.629) 2.992 14.298 ( 0.403 -1.902 3.776) 4.248 14.298 ( 0.403 1.902 3.776) 4.248 14.473 ( -0.280 -3.284 -2.843) 4.352 14.473 ( -0.280 3.284 -2.843) 4.352 15.254 ( -0.917 -0.623 1.352) 1.748 15.254 ( -0.917 0.623 1.352) 1.748 15.359 ( 1.024 -1.924 -1.789) 2.820 15.359 ( 1.024 1.924 -1.789) 2.820 15.915 ( -1.036 -0.765 2.439) 2.758 15.915 ( -1.036 0.765 2.439) 2.758 16.097 ( 0.622 -3.915 -1.552) 4.257 16.097 ( 0.622 3.915 -1.552) 4.257 16.319 ( 0.123 -1.217 0.412) 1.291 16.319 ( 0.123 1.217 0.412) 1.291 16.654 ( -0.138 -2.334 -3.823) 4.482 16.654 ( -0.138 2.335 -3.823) 4.482 17.014 ( 0.516 -2.510 2.327) 3.461 17.014 ( 0.516 2.510 2.327) 3.461 17.110 ( 0.024 -5.015 0.985) 5.111 17.110 ( 0.024 5.015 0.985) 5.111 17.883 ( -0.202 -1.550 0.005) 1.563 17.883 ( -0.202 1.550 0.005) 1.563 18.133 ( -0.372 -2.508 -0.189) 2.543 18.133 ( -0.372 2.508 -0.189) 2.543 21.714 ( 0.093 -0.648 -0.360) 0.747 21.714 ( 0.093 0.648 -0.360) 0.747 21.856 ( -0.064 -0.491 0.030) 0.496 21.856 ( -0.064 0.491 0.030) 0.496 27.556 ( 2.718 -0.531 2.203) 3.538 27.556 ( 2.718 0.531 2.203) 3.538 27.696 ( -2.811 -0.810 -2.149) 3.629 27.696 ( -2.811 0.810 -2.149) 3.629 29.239 ( 0.372 -0.119 -0.641) 0.750 29.239 ( 0.372 0.119 -0.641) 0.750 29.341 ( -0.350 -0.087 0.706) 0.793 29.341 ( -0.350 0.087 0.706) 0.793 30.292 ( 1.086 -1.294 0.955) 1.941 30.292 ( 1.086 1.294 0.955) 1.941 30.409 ( -0.828 -0.935 -0.839) 1.504 30.409 ( -0.828 0.935 -0.839) 1.504 31.733 ( -1.487 -0.872 1.640) 2.379 31.733 ( -1.487 0.872 1.640) 2.379 31.830 ( 1.557 -2.078 -2.428) 3.555 31.830 ( 1.557 2.078 -2.428) 3.555 32.307 ( -0.080 -1.902 5.451) 5.774 32.307 ( -0.080 1.902 5.451) 5.774 32.578 ( -1.066 -2.615 -5.566) 6.241 32.578 ( -1.066 2.615 -5.566) 6.241 33.444 ( 4.093 -10.787 2.885) 11.893 33.444 ( 4.093 10.787 2.885) 11.893 33.764 ( -3.686 -14.814 -1.697) 15.360 33.764 ( -3.686 14.814 -1.697) 15.360 34.042 ( -0.027 -5.166 0.384) 5.181 34.042 ( -0.027 5.166 0.384) 5.181 34.467 ( 0.557 -8.241 -0.703) 8.290 34.467 ( 0.557 8.241 -0.703) 8.290 ======================= Grid point 119 (61/88) ======================= q-point: (-0.40 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.425 ( -11.211 -6.818 0.416) 13.128 2.425 ( -11.211 6.818 0.416) 13.128 2.608 ( -1.423 -2.038 -0.484) 2.533 2.608 ( -1.423 2.038 -0.484) 2.533 2.679 ( -9.272 -5.826 -0.214) 10.953 2.679 ( -9.272 5.826 -0.214) 10.953 3.055 ( -0.989 -6.092 0.209) 6.175 3.055 ( -0.989 6.092 0.209) 6.175 3.126 ( 0.782 -2.615 -2.021) 3.396 3.126 ( 0.782 2.615 -2.021) 3.396 3.375 ( -4.930 -4.576 3.458) 7.563 3.375 ( -4.930 4.576 3.458) 7.563 3.660 ( 4.081 -9.331 1.369) 10.276 3.660 ( 4.081 9.331 1.369) 10.276 3.781 ( 3.571 -2.340 -2.042) 4.733 3.781 ( 3.571 2.340 -2.042) 4.733 3.966 ( -2.002 -3.177 3.949) 5.449 3.966 ( -2.002 3.177 3.949) 5.449 4.183 ( 0.820 -12.082 3.603) 12.634 4.183 ( 0.820 12.082 3.603) 12.634 4.394 ( -3.106 -4.541 -0.266) 5.508 4.394 ( -3.106 4.541 -0.266) 5.508 4.481 ( -4.299 -3.011 -1.022) 5.347 4.481 ( -4.299 3.011 -1.022) 5.347 4.801 ( 3.038 -2.752 -8.658) 9.579 4.801 ( 3.038 2.752 -8.658) 9.579 5.038 ( -7.690 -6.567 5.045) 11.301 5.038 ( -7.690 6.567 5.045) 11.301 5.303 ( 0.156 -2.660 -2.591) 3.716 5.303 ( 0.156 2.660 -2.591) 3.717 5.350 ( -9.049 -4.233 -2.667) 10.340 5.350 ( -9.049 4.233 -2.667) 10.340 5.498 ( -1.569 -5.017 0.866) 5.328 5.498 ( -1.569 5.017 0.866) 5.328 5.659 ( -2.803 -5.197 -1.404) 6.070 5.659 ( -2.803 5.197 -1.404) 6.070 5.948 ( -0.304 -7.099 1.681) 7.302 5.948 ( -0.304 7.099 1.681) 7.302 6.275 ( 1.835 -2.722 0.229) 3.291 6.275 ( 1.835 2.722 0.229) 3.291 6.745 ( -3.854 -1.655 0.440) 4.217 6.745 ( -3.854 1.655 0.440) 4.217 6.926 ( 1.052 -10.350 -2.955) 10.815 6.926 ( 1.052 10.350 -2.955) 10.815 7.095 ( 5.011 -4.646 3.866) 7.851 7.095 ( 5.011 4.646 3.866) 7.851 7.432 ( 4.606 -2.580 -1.943) 5.625 7.432 ( 4.606 2.580 -1.943) 5.625 8.345 ( 4.037 -3.816 3.227) 6.425 8.345 ( 4.037 3.816 3.227) 6.425 8.688 ( 2.044 -4.920 -0.014) 5.328 8.688 ( 2.044 4.920 -0.014) 5.328 9.259 ( -1.015 -6.107 2.457) 6.660 9.259 ( -1.015 6.107 2.457) 6.660 9.461 ( 3.506 -3.578 -3.647) 6.196 9.461 ( 3.506 3.578 -3.647) 6.196 9.767 ( -0.034 -4.097 -0.008) 4.098 9.767 ( -0.034 4.097 -0.008) 4.098 10.052 ( -2.797 -2.905 -0.675) 4.088 10.052 ( -2.797 2.905 -0.675) 4.088 10.441 ( -2.619 -2.106 -0.317) 3.375 10.441 ( -2.619 2.106 -0.317) 3.375 10.646 ( 5.016 -0.552 -0.958) 5.136 10.646 ( 5.016 0.552 -0.958) 5.136 10.941 ( 2.758 -2.754 5.291) 6.571 10.941 ( 2.758 2.754 5.291) 6.571 11.379 ( -0.831 -4.597 -2.300) 5.207 11.379 ( -0.831 4.597 -2.300) 5.207 11.565 ( 1.760 -2.471 -1.327) 3.311 11.565 ( 1.760 2.471 -1.327) 3.311 12.134 ( -0.138 -2.184 -0.542) 2.254 12.134 ( -0.138 2.184 -0.542) 2.254 13.123 ( -1.828 -1.797 1.346) 2.895 13.123 ( -1.828 1.797 1.346) 2.895 13.261 ( -1.388 -3.661 -1.688) 4.263 13.261 ( -1.388 3.661 -1.688) 4.263 14.343 ( 0.953 -1.981 4.159) 4.704 14.343 ( 0.953 1.981 4.159) 4.704 14.444 ( 0.058 -2.641 -3.487) 4.375 14.444 ( 0.058 2.641 -3.487) 4.375 15.205 ( -3.501 -0.987 1.004) 3.774 15.205 ( -3.501 0.987 1.004) 3.774 15.419 ( 4.782 -1.249 -1.121) 5.068 15.419 ( 4.782 1.249 -1.121) 5.068 15.934 ( 1.062 -3.249 2.340) 4.143 15.934 ( 1.062 3.249 2.340) 4.143 16.098 ( 0.774 -3.347 -1.335) 3.686 16.098 ( 0.774 3.347 -1.335) 3.686 16.314 ( -0.847 -3.280 0.150) 3.391 16.314 ( -0.847 3.280 0.150) 3.391 16.616 ( -1.131 -0.192 -2.453) 2.708 16.616 ( -1.131 0.192 -2.453) 2.708 16.994 ( -3.203 -4.048 0.206) 5.166 16.994 ( -3.203 4.048 0.206) 5.166 17.145 ( 1.921 -3.951 1.486) 4.638 17.145 ( 1.921 3.951 1.486) 4.638 17.879 ( -0.195 -1.548 0.064) 1.562 17.879 ( -0.195 1.548 0.064) 1.562 18.143 ( 1.347 -1.207 0.252) 1.826 18.143 ( 1.347 1.207 0.252) 1.826 21.721 ( 0.860 -2.586 -0.604) 2.791 21.721 ( 0.860 2.586 -0.604) 2.791 21.866 ( 1.100 -2.999 0.251) 3.205 21.866 ( 1.100 2.999 0.251) 3.205 27.598 ( -0.503 -0.455 -2.578) 2.666 27.598 ( -0.503 0.455 -2.578) 2.666 27.719 ( 7.377 -0.608 2.754) 7.898 27.719 ( 7.377 0.608 2.754) 7.898 29.232 ( -0.543 -0.399 -0.807) 1.051 29.232 ( -0.543 0.399 -0.807) 1.051 29.352 ( 0.924 -0.127 0.804) 1.232 29.352 ( 0.924 0.127 0.804) 1.232 30.287 ( -1.555 -0.350 -0.568) 1.692 30.287 ( -1.555 0.350 -0.568) 1.692 30.449 ( 4.771 -0.485 0.296) 4.805 30.449 ( 4.771 0.485 0.296) 4.805 31.682 ( -4.422 -1.780 1.251) 4.928 31.682 ( -4.422 1.780 1.251) 4.928 31.849 ( 1.423 -1.922 -1.843) 3.020 31.849 ( 1.423 1.922 -1.843) 3.020 32.332 ( -2.266 -2.174 7.435) 8.071 32.332 ( -2.266 2.174 7.435) 8.071 32.488 ( -3.647 -4.971 -6.696) 9.102 32.488 ( -3.647 4.971 -6.696) 9.102 33.466 ( -3.766 -5.227 -1.352) 6.583 33.466 ( -3.766 5.227 -1.352) 6.583 33.622 ( -9.652 -10.847 2.220) 14.688 33.622 ( -9.652 10.847 2.220) 14.688 34.092 ( 4.683 -2.848 -0.469) 5.501 34.092 ( 4.683 2.848 -0.469) 5.501 34.499 ( 3.346 -7.063 -0.357) 7.824 34.499 ( 3.346 7.063 -0.357) 7.824 ======================= Grid point 121 (62/88) ======================= q-point: (-0.30 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.206 ( -11.943 -8.885 2.655) 15.121 2.206 ( -11.943 8.885 2.655) 15.121 2.384 ( -13.818 -6.434 -4.076) 15.778 2.384 ( -13.818 6.434 -4.076) 15.778 2.615 ( -2.180 -4.681 -1.115) 5.283 2.615 ( -2.180 4.681 -1.115) 5.283 3.004 ( -5.163 -4.249 0.272) 6.692 3.004 ( -5.163 4.249 0.272) 6.692 3.133 ( -0.578 -2.718 0.558) 2.835 3.133 ( -0.579 2.718 0.558) 2.835 3.299 ( -3.526 -3.863 0.524) 5.256 3.299 ( -3.526 3.863 0.524) 5.256 3.656 ( -5.583 -2.472 -2.207) 6.492 3.656 ( -5.583 2.472 -2.207) 6.492 3.795 ( 0.053 -5.827 -3.589) 6.844 3.795 ( 0.053 5.827 -3.589) 6.844 3.889 ( -6.146 -1.744 1.162) 6.493 3.889 ( -6.146 1.744 1.162) 6.493 4.176 ( -5.878 -7.196 -0.322) 9.297 4.176 ( -5.878 7.196 -0.322) 9.297 4.339 ( -1.320 -1.757 -1.036) 2.430 4.339 ( -1.320 1.757 -1.036) 2.430 4.467 ( -1.288 -5.434 12.079) 13.307 4.467 ( -1.288 5.434 12.079) 13.307 4.740 ( -12.141 -7.240 -0.345) 14.140 4.740 ( -12.141 7.240 -0.345) 14.140 4.923 ( 0.531 -6.213 -4.089) 7.456 4.923 ( 0.531 6.213 -4.089) 7.456 5.111 ( -11.483 -2.056 -2.358) 11.902 5.111 ( -11.483 2.056 -2.358) 11.902 5.276 ( 1.152 -4.885 -5.211) 7.235 5.276 ( 1.152 4.885 -5.211) 7.235 5.501 ( 2.053 -7.652 0.706) 7.955 5.501 ( 2.053 7.652 0.706) 7.955 5.683 ( 2.859 -8.547 2.526) 9.360 5.683 ( 2.859 8.547 2.526) 9.360 5.918 ( -3.805 -9.043 1.612) 9.942 5.918 ( -3.805 9.043 1.612) 9.942 6.308 ( 0.481 -4.802 1.210) 4.975 6.308 ( 0.481 4.802 1.210) 4.975 6.676 ( -4.137 -2.620 1.975) 5.280 6.676 ( -4.137 2.620 1.975) 5.280 6.920 ( 0.844 -13.792 -2.142) 13.983 6.920 ( 0.844 13.792 -2.142) 13.983 7.235 ( 7.160 -7.373 1.898) 10.451 7.235 ( 7.160 7.373 1.898) 10.451 7.531 ( 7.354 -4.557 -2.467) 8.996 7.531 ( 7.354 4.557 -2.467) 8.996 8.462 ( 7.681 -4.211 -1.834) 8.950 8.462 ( 7.681 4.211 -1.834) 8.950 8.767 ( 5.085 -2.691 3.173) 6.570 8.767 ( 5.085 2.691 3.173) 6.570 9.259 ( -1.157 -7.193 2.671) 7.760 9.259 ( -1.157 7.193 2.671) 7.760 9.480 ( 2.720 -5.907 -7.145) 9.662 9.480 ( 2.720 5.907 -7.145) 9.662 9.767 ( -0.210 -4.480 1.152) 4.631 9.767 ( -0.210 4.480 1.152) 4.631 9.994 ( -3.891 -0.985 1.954) 4.464 9.994 ( -3.891 0.985 1.954) 4.464 10.413 ( 0.189 -1.337 -0.571) 1.466 10.413 ( 0.189 1.337 -0.571) 1.466 10.727 ( 3.752 -1.151 -0.604) 3.970 10.727 ( 3.752 1.151 -0.604) 3.970 11.052 ( 4.601 -4.618 5.156) 8.312 11.052 ( 4.601 4.618 5.156) 8.312 11.330 ( -2.443 -3.736 -3.177) 5.480 11.330 ( -2.443 3.736 -3.177) 5.480 11.593 ( 2.239 -3.734 -1.122) 4.496 11.593 ( 2.239 3.734 -1.122) 4.496 12.133 ( -0.018 -1.654 0.271) 1.677 12.133 ( -0.018 1.654 0.271) 1.677 13.088 ( -2.713 -2.863 1.040) 4.079 13.088 ( -2.713 2.863 1.040) 4.079 13.206 ( -3.021 -4.504 -1.502) 5.627 13.206 ( -3.021 4.504 -1.502) 5.627 14.382 ( 0.829 -0.427 0.217) 0.958 14.382 ( 0.829 0.427 0.217) 0.958 14.438 ( 1.334 -1.764 -0.136) 2.216 14.438 ( 1.334 1.764 -0.136) 2.216 15.155 ( -2.454 -3.076 0.514) 3.969 15.155 ( -2.454 3.076 0.514) 3.969 15.502 ( 4.275 -1.620 0.182) 4.575 15.502 ( 4.275 1.620 0.182) 4.575 15.980 ( 1.759 -4.252 1.292) 4.780 15.980 ( 1.759 4.252 1.292) 4.780 16.114 ( 2.088 -4.267 -0.653) 4.795 16.114 ( 2.088 4.267 -0.653) 4.795 16.295 ( -0.637 -6.547 -0.756) 6.621 16.295 ( -0.637 6.547 -0.756) 6.621 16.581 ( -1.224 -1.949 -0.501) 2.356 16.581 ( -1.224 1.949 -0.501) 2.356 16.926 ( -3.411 -4.048 -0.304) 5.302 16.926 ( -3.411 4.048 -0.304) 5.302 17.174 ( 0.310 -6.348 -0.261) 6.361 17.174 ( 0.310 6.348 -0.261) 6.361 17.884 ( 0.815 -3.348 0.461) 3.476 17.884 ( 0.815 3.348 0.461) 3.476 18.185 ( 2.402 -0.359 1.296) 2.753 18.185 ( 2.402 0.359 1.296) 2.753 21.733 ( 0.917 -3.872 -0.627) 4.029 21.733 ( 0.917 3.872 -0.627) 4.029 21.905 ( 2.828 -4.436 0.351) 5.272 21.905 ( 2.828 4.436 0.351) 5.272 27.571 ( 0.636 -0.223 -2.955) 3.031 27.571 ( 0.636 0.223 -2.955) 3.031 27.938 ( 12.354 -0.616 3.282) 12.797 27.938 ( 12.354 0.616 3.282) 12.797 29.211 ( -0.943 -0.509 -0.760) 1.314 29.211 ( -0.943 0.509 -0.760) 1.314 29.386 ( 2.087 -0.308 0.604) 2.194 29.386 ( 2.087 0.308 0.604) 2.194 30.251 ( -1.114 -0.829 -1.296) 1.900 30.251 ( -1.114 0.829 -1.296) 1.900 30.562 ( 6.430 -1.724 0.437) 6.671 30.562 ( 6.430 1.724 0.437) 6.671 31.599 ( -5.203 -1.794 1.359) 5.669 31.599 ( -5.203 1.794 1.359) 5.669 31.846 ( -0.400 -1.568 -1.436) 2.164 31.846 ( -0.400 1.568 -1.436) 2.164 32.332 ( -6.223 -3.231 0.232) 7.016 32.332 ( -6.223 3.231 0.232) 7.016 32.350 ( -3.601 -1.701 2.442) 4.671 32.350 ( -3.601 1.701 2.442) 4.671 33.270 ( -11.439 -7.089 -8.767) 16.061 33.270 ( -11.439 7.089 -8.767) 16.061 33.453 ( -12.909 -9.148 6.659) 17.166 33.453 ( -12.909 9.148 6.659) 17.166 34.208 ( 7.464 -4.208 0.530) 8.585 34.208 ( 7.464 4.208 0.530) 8.585 34.586 ( 6.028 -6.729 -0.443) 9.045 34.586 ( 6.028 6.729 -0.443) 9.045 ======================= Grid point 123 (63/88) ======================= q-point: (-0.20 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.040 ( -10.738 -9.216 6.882) 15.735 2.040 ( -10.738 9.216 6.882) 15.735 2.124 ( -8.011 -8.110 -4.106) 12.116 2.124 ( -8.011 8.110 -4.106) 12.116 2.523 ( -5.363 -4.391 -4.785) 8.423 2.523 ( -5.363 4.391 -4.785) 8.423 2.839 ( -11.078 -0.693 -0.005) 11.100 2.839 ( -11.078 0.693 -0.005) 11.100 3.125 ( -0.497 -9.310 0.033) 9.323 3.125 ( -0.497 9.310 0.033) 9.323 3.261 ( -1.447 -5.768 -0.476) 5.965 3.261 ( -1.447 5.768 -0.476) 5.965 3.478 ( -9.898 -5.562 1.049) 11.402 3.478 ( -9.898 5.562 1.049) 11.402 3.696 ( -8.017 -6.261 -0.726) 10.198 3.696 ( -8.017 6.261 -0.726) 10.198 3.836 ( -0.867 -3.068 -1.058) 3.359 3.836 ( -0.867 3.068 -1.058) 3.359 4.028 ( -7.640 -5.706 -1.085) 9.597 4.028 ( -7.640 5.706 -1.085) 9.597 4.236 ( -11.344 -17.233 0.846) 20.649 4.236 ( -11.344 17.233 0.846) 20.649 4.408 ( -14.281 -2.064 1.876) 14.551 4.408 ( -14.281 2.064 1.876) 14.551 4.551 ( -0.745 -8.835 8.123) 12.025 4.551 ( -0.745 8.835 8.123) 12.025 4.910 ( -3.185 -2.992 -4.224) 6.077 4.910 ( -3.185 2.992 -4.224) 6.077 4.988 ( 2.195 -10.503 -6.112) 12.349 4.988 ( 2.195 10.503 -6.112) 12.349 5.286 ( 3.685 -7.193 -6.572) 10.417 5.286 ( 3.685 7.193 -6.572) 10.417 5.556 ( 0.497 -1.985 4.400) 4.853 5.556 ( 0.497 1.985 4.400) 4.853 5.754 ( 2.007 -11.126 3.270) 11.769 5.754 ( 2.007 11.126 3.270) 11.769 5.879 ( 0.597 -13.190 0.622) 13.218 5.879 ( 0.597 13.190 0.622) 13.218 6.295 ( -2.928 -4.096 1.242) 5.186 6.295 ( -2.928 4.096 1.242) 5.186 6.621 ( -3.457 -4.603 2.133) 6.139 6.621 ( -3.457 4.603 2.133) 6.139 6.941 ( 2.913 -12.342 -1.222) 12.740 6.941 ( 2.913 12.342 -1.222) 12.740 7.385 ( 6.169 -7.988 3.272) 10.610 7.385 ( 6.169 7.988 3.272) 10.610 7.651 ( 7.665 -8.252 -3.987) 11.948 7.651 ( 7.665 8.252 -3.987) 11.948 8.613 ( 11.134 -6.443 -4.657) 13.681 8.613 ( 11.134 6.443 -4.657) 13.681 8.907 ( 5.975 -2.777 3.636) 7.526 8.907 ( 5.975 2.777 3.636) 7.526 9.255 ( -1.288 -9.284 2.578) 9.721 9.255 ( -1.288 9.284 2.578) 9.721 9.461 ( 1.346 -9.759 -6.131) 11.604 9.461 ( 1.346 9.759 -6.131) 11.604 9.765 ( -1.707 -4.717 -0.092) 5.017 9.765 ( -1.707 4.717 -0.092) 5.017 9.947 ( -2.852 -3.372 4.853) 6.561 9.947 ( -2.852 3.372 4.853) 6.561 10.431 ( 2.111 -0.469 -1.141) 2.445 10.431 ( 2.111 0.469 -1.141) 2.445 10.772 ( 1.656 -1.341 -1.031) 2.367 10.772 ( 1.656 1.341 -1.031) 2.367 11.171 ( 2.205 -5.423 5.825) 8.259 11.171 ( 2.205 5.423 5.825) 8.259 11.239 ( -3.005 -5.269 -4.479) 7.540 11.239 ( -3.005 5.269 -4.479) 7.540 11.639 ( 3.363 -3.799 -0.223) 5.079 11.639 ( 3.363 3.799 -0.223) 5.079 12.125 ( -1.521 -1.752 0.244) 2.333 12.125 ( -1.521 1.752 0.244) 2.333 13.041 ( -2.810 -3.064 0.458) 4.183 13.041 ( -2.810 3.064 0.458) 4.183 13.135 ( -3.245 -3.742 -0.786) 5.015 13.135 ( -3.245 3.742 -0.786) 5.015 14.389 ( 1.377 -2.242 -2.320) 3.508 14.389 ( 1.377 2.242 -2.320) 3.508 14.482 ( 1.907 -1.602 2.163) 3.299 14.482 ( 1.907 1.602 2.163) 3.299 15.119 ( -1.477 -4.527 -0.011) 4.762 15.119 ( -1.477 4.527 -0.011) 4.762 15.577 ( 2.867 -2.670 1.427) 4.170 15.577 ( 2.867 2.670 1.427) 4.170 15.997 ( -0.094 -2.128 -1.094) 2.394 15.997 ( -0.094 2.128 -1.094) 2.394 16.159 ( 1.666 -4.482 0.485) 4.806 16.159 ( 1.666 4.482 0.485) 4.806 16.299 ( 2.982 -10.200 -2.418) 10.898 16.299 ( 2.982 10.200 -2.418) 10.898 16.572 ( 0.358 -3.041 0.992) 3.219 16.572 ( 0.358 3.041 0.992) 3.219 16.870 ( -2.652 -3.181 0.594) 4.184 16.870 ( -2.652 3.181 0.594) 4.184 17.150 ( -1.630 -7.531 -2.327) 8.049 17.150 ( -1.630 7.531 -2.327) 8.049 17.923 ( 2.728 -4.838 0.673) 5.594 17.923 ( 2.728 4.838 0.673) 5.594 18.246 ( 2.492 -1.915 2.019) 3.736 18.246 ( 2.492 1.915 2.019) 3.736 21.748 ( 0.755 -3.260 0.489) 3.382 21.748 ( 0.755 3.260 0.489) 3.382 21.974 ( 4.183 -4.043 -0.147) 5.820 21.974 ( 4.183 4.043 -0.147) 5.820 27.583 ( 1.892 -0.277 -0.084) 1.914 27.583 ( 1.892 0.277 -0.084) 1.914 28.208 ( 14.113 -1.854 -0.014) 14.234 28.208 ( 14.113 1.854 -0.014) 14.234 29.189 ( -0.812 -0.441 -0.306) 0.973 29.189 ( -0.812 0.441 -0.306) 0.973 29.442 ( 3.765 -0.752 -0.019) 3.840 29.442 ( 3.765 0.752 -0.019) 3.840 30.233 ( 0.001 -1.041 -0.190) 1.058 30.233 ( 0.001 1.041 -0.190) 1.058 30.685 ( 6.274 -2.062 -0.032) 6.604 30.685 ( 6.274 2.062 -0.032) 6.604 31.513 ( -4.945 -1.958 1.443) 5.511 31.513 ( -4.945 1.958 1.443) 5.511 31.811 ( -2.174 -1.953 -1.217) 3.166 31.811 ( -2.174 1.953 -1.217) 3.166 32.159 ( -7.321 -3.680 -3.868) 9.061 32.159 ( -7.321 3.680 -3.868) 9.061 32.344 ( -4.508 -6.494 8.357) 11.504 32.344 ( -4.508 6.494 8.357) 11.504 32.945 ( -14.889 -5.741 -8.826) 18.236 32.945 ( -14.889 5.741 -8.826) 18.236 33.235 ( -13.769 -6.312 4.124) 15.699 33.235 ( -13.769 6.312 4.124) 15.699 34.363 ( 7.356 -3.514 2.077) 8.413 34.363 ( 7.356 3.514 2.077) 8.413 34.707 ( 7.253 -6.569 -1.572) 9.911 34.707 ( 7.253 6.569 -1.572) 9.911 ======================= Grid point 125 (64/88) ======================= q-point: (-0.10 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.868 ( -7.974 -18.275 0.437) 19.944 1.868 ( -7.974 18.275 0.437) 19.944 2.078 ( -0.630 -19.943 6.817) 21.085 2.078 ( -0.630 19.943 6.817) 21.085 2.384 ( -4.225 -8.399 -4.832) 10.571 2.384 ( -4.225 8.399 -4.832) 10.571 2.662 ( -7.348 -5.016 4.186) 9.833 2.662 ( -7.348 5.016 4.186) 9.833 3.069 ( -4.791 -6.186 -3.793) 8.695 3.069 ( -4.791 6.186 -3.793) 8.695 3.209 ( -4.551 -5.834 0.328) 7.406 3.209 ( -4.551 5.834 0.328) 7.406 3.362 ( -5.412 -6.254 3.226) 8.878 3.362 ( -5.412 6.255 3.226) 8.878 3.520 ( -4.796 -6.701 -2.579) 8.635 3.520 ( -4.796 6.701 -2.579) 8.635 3.792 ( -2.032 -6.765 -5.795) 9.137 3.792 ( -2.032 6.765 -5.795) 9.137 3.918 ( -3.785 -3.090 2.519) 5.497 3.918 ( -3.785 3.090 2.519) 5.497 4.050 ( -7.010 -18.805 2.813) 20.266 4.050 ( -7.010 18.805 2.813) 20.266 4.241 ( -5.680 -1.729 4.240) 7.295 4.241 ( -5.680 1.729 4.240) 7.295 4.617 ( 1.063 -4.679 3.786) 6.112 4.617 ( 1.063 4.679 3.786) 6.112 4.836 ( -1.878 -4.854 -3.003) 6.009 4.836 ( -1.878 4.854 -3.003) 6.009 4.932 ( -1.535 -3.664 -7.154) 8.183 4.932 ( -1.535 3.664 -7.154) 8.183 5.278 ( 1.684 -4.754 -8.411) 9.807 5.278 ( 1.684 4.754 -8.411) 9.807 5.563 ( -3.482 -8.402 6.113) 10.959 5.563 ( -3.482 8.402 6.113) 10.959 5.832 ( 5.258 -7.237 -1.738) 9.113 5.832 ( 5.258 7.237 -1.738) 9.113 5.940 ( 1.448 -9.894 5.615) 11.468 5.940 ( 1.448 9.894 5.615) 11.468 6.235 ( -2.754 -2.299 -0.820) 3.680 6.235 ( -2.754 2.299 -0.820) 3.680 6.581 ( -2.028 -3.152 1.572) 4.064 6.581 ( -2.028 3.152 1.572) 4.064 6.998 ( 2.999 -7.968 -0.296) 8.519 6.998 ( 2.999 7.968 -0.296) 8.519 7.495 ( 2.006 -8.240 4.534) 9.617 7.495 ( 2.006 8.240 4.534) 9.617 7.750 ( 6.385 -12.120 -5.385) 14.719 7.750 ( 6.385 12.120 -5.385) 14.719 8.800 ( 11.307 -5.658 -3.537) 13.129 8.800 ( 11.307 5.658 -3.537) 13.129 9.003 ( 1.769 -6.376 0.060) 6.617 9.003 ( 1.769 6.376 0.060) 6.617 9.260 ( 0.258 -8.581 2.025) 8.820 9.260 ( 0.258 8.581 2.025) 8.820 9.473 ( 2.666 -10.769 0.710) 11.117 9.473 ( 2.666 10.769 0.710) 11.117 9.676 ( -5.929 -3.000 -1.425) 6.796 9.676 ( -5.929 3.000 -1.425) 6.796 9.965 ( -0.720 -0.683 4.496) 4.604 9.965 ( -0.720 0.683 4.496) 4.604 10.465 ( 2.772 -2.043 -2.657) 4.349 10.465 ( 2.772 2.043 -2.657) 4.349 10.775 ( -0.322 -1.768 -0.984) 2.049 10.775 ( -0.322 1.768 -0.984) 2.049 11.114 ( -5.449 -2.679 1.664) 6.296 11.114 ( -5.449 2.679 1.664) 6.296 11.269 ( 2.791 -2.655 0.486) 3.883 11.269 ( 2.791 2.655 0.486) 3.883 11.711 ( 3.854 -2.797 0.015) 4.762 11.711 ( 3.854 2.797 0.015) 4.762 12.074 ( -3.375 -2.108 -0.524) 4.014 12.074 ( -3.375 2.108 -0.524) 4.014 12.998 ( -1.715 -2.536 0.289) 3.075 12.998 ( -1.715 2.536 0.289) 3.075 13.081 ( -1.933 -2.108 -0.276) 2.874 13.081 ( -1.933 2.108 -0.276) 2.874 14.404 ( 1.628 -3.060 -1.238) 3.680 14.404 ( 1.628 3.060 -1.238) 3.680 14.528 ( 1.194 -2.540 1.318) 3.100 14.528 ( 1.194 2.540 1.318) 3.100 15.100 ( -0.601 -4.765 0.212) 4.807 15.100 ( -0.601 4.765 0.212) 4.807 15.629 ( 0.957 -2.565 2.255) 3.547 15.629 ( 0.957 2.565 2.255) 3.547 15.973 ( -0.251 -1.587 -3.134) 3.522 15.973 ( -0.251 1.587 -3.134) 3.522 16.171 ( -0.434 -3.864 1.179) 4.063 16.171 ( -0.434 3.864 1.179) 4.063 16.356 ( 4.547 -6.831 -3.597) 8.959 16.356 ( 4.547 6.831 -3.597) 8.959 16.604 ( 1.590 -4.507 0.388) 4.795 16.604 ( 1.590 4.507 0.388) 4.795 16.836 ( -1.767 -1.246 1.816) 2.823 16.836 ( -1.767 1.246 1.816) 2.823 17.093 ( -1.702 -5.596 -3.265) 6.699 17.093 ( -1.702 5.596 -3.265) 6.699 17.987 ( 3.224 -5.354 0.376) 6.261 17.987 ( 3.224 5.354 0.376) 6.261 18.292 ( 0.649 -3.085 0.797) 3.251 18.292 ( 0.649 3.085 0.797) 3.251 21.771 ( 0.592 -2.118 2.219) 3.124 21.771 ( 0.592 2.118 2.219) 3.124 22.048 ( 3.554 -3.089 -0.630) 4.751 22.048 ( 3.554 3.089 -0.630) 4.751 27.635 ( 1.896 -0.257 3.746) 4.206 27.635 ( 1.896 0.257 3.746) 4.206 28.422 ( 9.517 -4.767 -5.506) 11.984 28.422 ( 9.517 4.767 -5.506) 11.984 29.177 ( -0.392 -0.312 0.264) 0.566 29.177 ( -0.392 0.312 0.264) 0.566 29.523 ( 4.779 -2.392 -1.725) 5.616 29.523 ( 4.779 2.392 -1.725) 5.616 30.258 ( 1.688 -0.693 3.050) 3.554 30.258 ( 1.688 0.693 3.050) 3.554 30.786 ( 4.089 -1.381 0.063) 4.316 30.786 ( 4.089 1.381 0.063) 4.316 31.446 ( -3.176 -2.482 1.852) 4.436 31.446 ( -3.176 2.482 1.852) 4.436 31.755 ( -2.294 -2.387 -1.379) 3.587 31.755 ( -2.294 2.387 -1.379) 3.587 32.025 ( -4.447 -2.715 -1.191) 5.345 32.025 ( -4.447 2.715 -1.191) 5.345 32.257 ( -10.035 -8.224 1.837) 13.104 32.257 ( -10.035 8.224 1.837) 13.104 32.662 ( -7.591 -1.830 -1.947) 8.048 32.662 ( -7.591 1.830 -1.947) 8.048 33.031 ( -9.087 -5.359 0.937) 10.591 33.031 ( -9.087 5.359 0.937) 10.591 34.498 ( 4.385 -2.449 3.384) 6.056 34.498 ( 4.385 2.449 3.384) 6.056 34.813 ( 5.290 -5.916 -3.323) 8.604 34.813 ( 5.290 5.916 -3.323) 8.604 ======================= Grid point 147 (65/88) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.224 ( 3.854 0.000 -25.294) 25.586 1.224 ( -3.854 0.000 25.294) 25.586 1.380 ( -3.672 0.000 -27.675) 27.917 1.380 ( 3.672 0.000 27.675) 27.917 1.948 ( 8.916 0.000 -37.543) 38.587 1.948 ( -8.916 0.000 37.543) 38.587 2.627 ( -5.783 0.000 -7.064) 9.129 2.627 ( 5.783 0.000 7.064) 9.129 2.926 ( -1.306 0.000 -3.766) 3.986 2.926 ( 1.306 0.000 3.766) 3.986 2.982 ( -4.527 0.000 -10.120) 11.087 2.982 ( 4.527 0.000 10.120) 11.087 3.316 ( 3.978 0.000 -4.924) 6.330 3.316 ( -3.978 0.000 4.924) 6.330 3.708 ( -3.575 0.000 -1.006) 3.714 3.708 ( 3.575 0.000 1.006) 3.714 3.860 ( -0.689 0.000 -4.370) 4.424 3.860 ( 0.689 0.000 4.370) 4.424 3.959 ( 5.031 0.000 -5.127) 7.183 3.959 ( -5.031 0.000 5.127) 7.183 4.045 ( 1.440 0.000 -10.294) 10.394 4.045 ( -1.440 0.000 10.294) 10.394 4.283 ( -2.992 0.000 -8.103) 8.638 4.283 ( 2.992 0.000 8.103) 8.638 4.703 ( -23.592 0.000 3.501) 23.850 4.703 ( 23.592 0.000 -3.501) 23.850 4.967 ( -8.158 0.000 -2.685) 8.588 4.967 ( 8.158 0.000 2.685) 8.588 5.045 ( 1.612 0.000 -2.567) 3.031 5.045 ( -1.612 0.000 2.567) 3.031 5.120 ( -3.513 0.000 -4.591) 5.781 5.120 ( 3.513 0.000 4.591) 5.781 5.324 ( -3.303 0.000 -9.952) 10.486 5.324 ( 3.303 0.000 9.952) 10.486 5.660 ( 7.146 0.000 -6.716) 9.807 5.660 ( -7.146 0.000 6.716) 9.807 5.914 ( -1.099 0.000 -0.100) 1.103 5.914 ( 1.099 0.000 0.100) 1.103 6.177 ( -2.667 0.000 -1.497) 3.058 6.177 ( 2.667 0.000 1.497) 3.058 6.434 ( -1.945 0.000 0.436) 1.993 6.434 ( 1.945 0.000 -0.436) 1.993 7.084 ( -1.936 0.000 -1.633) 2.533 7.084 ( 1.936 0.000 1.633) 2.533 7.794 ( 0.228 0.000 -4.220) 4.226 7.794 ( -0.228 0.000 4.220) 4.226 8.308 ( 0.254 0.000 -2.515) 2.527 8.308 ( -0.254 0.000 2.515) 2.527 8.850 ( -9.866 0.000 -7.787) 12.569 8.850 ( 9.866 0.000 7.787) 12.569 9.102 ( 7.218 0.000 -3.000) 7.817 9.102 ( -7.218 0.000 3.000) 7.817 9.269 ( 5.855 0.000 -6.684) 8.886 9.269 ( -5.855 0.000 6.684) 8.886 9.551 ( 0.354 0.000 -6.039) 6.050 9.551 ( -0.354 0.000 6.039) 6.050 9.772 ( 9.292 0.000 -7.051) 11.664 9.772 ( -9.292 0.000 7.051) 11.664 10.426 ( -12.931 0.000 -8.798) 15.640 10.426 ( 12.931 0.000 8.798) 15.640 10.539 ( 9.860 0.000 -7.693) 12.506 10.539 ( -9.860 0.000 7.693) 12.506 10.870 ( 7.649 0.000 -4.646) 8.949 10.870 ( -7.649 0.000 4.646) 8.949 11.126 ( -10.502 0.000 -4.072) 11.264 11.126 ( 10.502 0.000 4.072) 11.264 11.511 ( -10.107 0.000 -1.096) 10.167 11.511 ( 10.107 0.000 1.096) 10.167 11.727 ( -2.208 0.000 -1.293) 2.559 11.727 ( 2.208 0.000 1.293) 2.559 12.028 ( -1.595 0.000 -0.890) 1.827 12.028 ( 1.595 0.000 0.890) 1.827 12.483 ( 4.447 0.000 -3.110) 5.426 12.483 ( -4.447 0.000 3.110) 5.426 12.844 ( -0.830 0.000 -3.006) 3.118 12.844 ( 0.830 0.000 3.006) 3.118 14.355 ( 0.034 0.000 -0.482) 0.483 14.355 ( -0.034 0.000 0.482) 0.483 14.423 ( -2.774 0.000 -1.473) 3.140 14.423 ( 2.774 0.000 1.473) 3.140 15.473 ( -6.773 0.000 -3.645) 7.691 15.473 ( 6.773 0.000 3.645) 7.691 15.612 ( 7.007 0.000 -5.505) 8.911 15.612 ( -7.007 0.000 5.505) 8.911 15.819 ( -0.643 0.000 -5.802) 5.838 15.819 ( 0.643 0.000 5.802) 5.838 15.950 ( -0.788 0.000 -0.301) 0.844 15.950 ( 0.788 0.000 0.301) 0.844 16.000 ( 5.064 0.000 -1.928) 5.419 16.000 ( -5.064 0.000 1.928) 5.419 16.641 ( 14.150 0.000 -4.956) 14.993 16.641 ( -14.150 0.000 4.956) 14.993 16.950 ( -9.876 0.000 -4.343) 10.789 16.950 ( 9.876 0.000 4.343) 10.789 17.056 ( 4.290 0.000 -2.577) 5.005 17.056 ( -4.290 0.000 2.577) 5.005 18.092 ( 3.176 0.000 -4.191) 5.259 18.092 ( -3.176 0.000 4.191) 5.259 18.535 ( 0.525 0.000 -2.224) 2.285 18.535 ( -0.525 0.000 2.224) 2.285 21.495 ( 2.288 0.000 -1.745) 2.877 21.495 ( -2.288 0.000 1.745) 2.877 22.035 ( -1.611 0.000 -0.651) 1.737 22.035 ( 1.611 0.000 0.651) 1.737 27.837 ( -1.801 0.000 -8.491) 8.679 27.837 ( 1.801 0.000 8.491) 8.679 28.213 ( -0.562 0.000 -0.133) 0.577 28.213 ( 0.562 0.000 0.133) 0.577 29.224 ( 0.046 0.000 -1.636) 1.637 29.224 ( -0.046 0.000 1.636) 1.637 29.445 ( -0.087 0.000 -2.823) 2.824 29.445 ( 0.087 0.000 2.823) 2.824 30.417 ( 0.650 0.000 -8.066) 8.092 30.417 ( -0.650 0.000 8.066) 8.092 30.774 ( 1.221 0.000 -1.834) 2.203 30.774 ( -1.221 0.000 1.834) 2.203 31.365 ( 1.438 0.000 -3.576) 3.855 31.365 ( -1.438 0.000 3.576) 3.855 31.876 ( -2.430 0.000 -1.022) 2.636 31.876 ( 2.430 0.000 1.022) 2.636 31.935 ( -5.663 0.000 1.869) 5.964 31.935 ( 5.663 0.000 -1.869) 5.964 32.060 ( -12.905 0.000 -0.008) 12.905 32.060 ( 12.905 0.000 0.008) 12.905 32.678 ( -1.689 0.000 -5.105) 5.377 32.678 ( 1.689 0.000 5.105) 5.377 33.563 ( -0.221 0.000 -0.566) 0.608 33.563 ( 0.221 0.000 0.566) 0.608 34.302 ( -6.615 0.000 -1.021) 6.693 34.302 ( 6.615 0.000 1.021) 6.693 34.592 ( -3.837 0.000 -1.741) 4.214 34.592 ( 3.837 0.000 1.741) 4.214 ======================= Grid point 149 (66/88) ======================= q-point: ( 0.10 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.170 ( 4.506 0.000 -28.336) 28.692 1.298 ( 22.717 0.000 -22.621) 32.058 1.487 ( 10.627 0.000 18.491) 21.327 1.742 ( 9.895 0.000 24.771) 26.674 2.070 ( 36.511 0.000 -37.421) 52.282 2.160 ( 8.855 0.000 15.496) 17.848 2.580 ( 3.349 0.000 -2.632) 4.260 2.821 ( 3.104 0.000 5.776) 6.558 2.886 ( 1.408 0.000 -5.878) 6.044 2.913 ( 4.570 0.000 -4.490) 6.406 3.063 ( 10.572 0.000 11.557) 15.663 3.100 ( -0.592 0.000 2.919) 2.979 3.375 ( 3.940 0.000 -0.467) 3.967 3.398 ( 9.642 0.000 10.527) 14.275 3.623 ( -2.691 0.000 -5.287) 5.932 3.762 ( 0.158 0.000 2.712) 2.717 3.839 ( 3.938 0.000 -4.614) 6.066 3.839 ( -9.371 0.000 -9.330) 13.224 3.920 ( 1.779 0.000 2.155) 2.794 3.925 ( 2.035 0.000 -3.538) 4.082 4.014 ( 1.206 0.000 -5.599) 5.728 4.074 ( -4.274 0.000 -12.708) 13.407 4.240 ( -6.029 0.000 6.942) 9.194 4.299 ( -4.426 0.000 5.858) 7.342 4.412 ( 1.461 0.000 11.265) 11.359 4.736 ( -11.208 0.000 -3.237) 11.666 4.927 ( -4.467 0.000 -6.342) 7.757 4.981 ( 12.091 0.000 -7.231) 14.088 5.042 ( -2.727 0.000 5.213) 5.883 5.050 ( 1.381 0.000 1.188) 1.822 5.141 ( -0.092 0.000 3.838) 3.839 5.152 ( 1.780 0.000 -4.868) 5.183 5.342 ( 11.238 0.000 -7.486) 13.503 5.520 ( 7.055 0.000 8.734) 11.228 5.653 ( 0.493 0.000 4.182) 4.211 5.756 ( 4.371 0.000 -4.440) 6.231 5.914 ( -4.486 0.000 5.187) 6.858 6.003 ( 8.216 0.000 6.894) 10.725 6.131 ( 0.538 0.000 -4.673) 4.704 6.224 ( -0.052 0.000 3.651) 3.651 6.524 ( 6.311 0.000 -0.071) 6.311 6.527 ( 9.792 0.000 2.087) 10.012 7.015 ( -3.099 0.000 -3.026) 4.331 7.103 ( 0.232 0.000 -1.558) 1.575 7.693 ( -7.818 0.000 -3.796) 8.691 7.757 ( -6.837 0.000 3.500) 7.681 8.221 ( -6.455 0.000 -2.695) 6.995 8.253 ( -5.372 0.000 0.002) 5.372 8.602 ( -10.830 0.000 -6.259) 12.509 8.954 ( -10.162 0.000 6.130) 11.868 8.963 ( -10.637 0.000 5.942) 12.184 9.164 ( 3.024 0.000 -1.089) 3.215 9.286 ( 1.893 0.000 -6.370) 6.645 9.290 ( 6.953 0.000 5.199) 8.681 9.446 ( -5.090 0.000 -9.763) 11.010 9.569 ( -2.366 0.000 5.848) 6.308 9.651 ( -6.043 0.000 4.588) 7.588 9.837 ( 4.391 0.000 -9.820) 10.757 10.164 ( -4.655 0.000 -8.517) 9.706 10.435 ( -9.634 0.000 9.739) 13.699 10.554 ( 5.777 0.000 -10.433) 11.926 10.752 ( -7.766 0.000 5.788) 9.686 10.784 ( 8.513 0.000 2.962) 9.014 10.951 ( 4.899 0.000 -5.897) 7.666 10.970 ( -2.758 0.000 3.350) 4.339 11.326 ( -8.225 0.000 0.344) 8.233 11.364 ( 9.898 0.000 3.613) 10.537 11.653 ( 2.155 0.000 -0.016) 2.155 11.697 ( 0.351 0.000 -0.407) 0.537 11.787 ( 2.818 0.000 1.601) 3.241 11.986 ( -1.412 0.000 -1.805) 2.291 12.038 ( -1.025 0.000 0.078) 1.028 12.469 ( 1.175 0.000 2.548) 2.805 12.564 ( 6.821 0.000 -4.517) 8.182 12.809 ( 0.620 0.000 -2.310) 2.392 12.856 ( -1.365 0.000 1.722) 2.198 14.344 ( -1.514 0.000 0.013) 1.514 14.355 ( -0.326 0.000 0.559) 0.647 14.364 ( -1.552 0.000 -1.453) 2.126 14.479 ( 2.110 0.000 0.731) 2.233 15.316 ( -6.160 0.000 -3.884) 7.282 15.452 ( -9.710 0.000 0.115) 9.711 15.591 ( -5.160 0.000 -1.622) 5.409 15.619 ( 4.259 0.000 2.946) 5.179 15.817 ( 4.947 0.000 -4.543) 6.716 15.851 ( -2.142 0.000 5.125) 5.554 15.922 ( -5.084 0.000 3.886) 6.399 15.947 ( 0.915 0.000 -1.755) 1.979 15.989 ( 3.224 0.000 -0.791) 3.319 16.085 ( 5.136 0.000 -0.809) 5.199 16.456 ( -10.125 0.000 12.905) 16.403 16.543 ( -11.009 0.000 -5.487) 12.301 16.988 ( -4.326 0.000 1.447) 4.562 17.019 ( 5.337 0.000 -0.058) 5.337 17.152 ( 9.246 0.000 0.120) 9.246 17.182 ( 9.361 0.000 0.548) 9.377 18.089 ( -0.551 0.000 4.233) 4.268 18.112 ( 0.918 0.000 -4.462) 4.555 18.520 ( -2.961 0.000 2.156) 3.663 18.531 ( 0.046 0.000 1.195) 1.196 21.454 ( -1.903 0.000 -0.778) 2.056 21.517 ( 1.738 0.000 -1.794) 2.497 21.974 ( -3.920 0.000 -0.408) 3.941 22.037 ( -1.365 0.000 0.210) 1.381 27.718 ( -4.120 0.000 -6.994) 8.117 27.898 ( -2.057 0.000 6.989) 7.286 28.034 ( -15.658 0.000 -7.791) 17.489 28.116 ( -8.150 0.000 3.337) 8.807 29.214 ( 0.272 0.000 -1.545) 1.569 29.239 ( 0.457 0.000 1.239) 1.321 29.414 ( -1.368 0.000 -0.404) 1.427 29.425 ( -3.804 0.000 0.978) 3.928 30.303 ( -4.312 0.000 -5.937) 7.337 30.342 ( -6.246 0.000 -0.506) 6.267 30.703 ( -5.867 0.000 -1.917) 6.173 30.747 ( -1.703 0.000 2.258) 2.828 31.383 ( 0.525 0.000 3.457) 3.497 31.389 ( 3.955 0.000 -3.340) 5.177 31.877 ( 3.052 0.000 -0.692) 3.130 31.886 ( 0.879 0.000 -1.788) 1.992 31.937 ( 3.346 0.000 0.449) 3.376 31.983 ( 2.526 0.000 3.159) 4.045 32.080 ( 7.518 0.000 -2.510) 7.926 32.506 ( 20.508 0.000 10.718) 23.140 32.648 ( 2.408 0.000 -4.747) 5.323 32.791 ( 6.594 0.000 2.783) 7.157 33.578 ( 1.996 0.000 -0.083) 1.998 33.586 ( 1.560 0.000 0.522) 1.645 34.164 ( -6.089 0.000 0.281) 6.096 34.392 ( 4.124 0.000 -3.891) 5.670 34.542 ( -1.501 0.000 -1.490) 2.115 34.747 ( 7.659 0.000 8.505) 11.445 ======================= Grid point 150 (67/88) ======================= q-point: ( 0.20 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.263 ( 23.518 0.000 -11.706) 26.270 1.667 ( 30.104 0.000 -15.645) 33.926 1.838 ( 13.737 0.000 11.199) 17.723 2.040 ( 4.903 0.000 18.708) 19.340 2.407 ( 5.894 0.000 -0.244) 5.899 2.563 ( 27.539 0.000 -15.447) 31.575 2.707 ( 15.786 0.000 -6.030) 16.898 2.900 ( 7.072 0.000 2.705) 7.572 2.914 ( 4.919 0.000 -1.515) 5.147 3.047 ( -5.206 0.000 1.798) 5.508 3.070 ( 13.003 0.000 -1.463) 13.085 3.392 ( 9.575 0.000 12.704) 15.908 3.438 ( 2.436 0.000 -2.512) 3.499 3.538 ( -9.585 0.000 -7.612) 12.240 3.635 ( 6.569 0.000 -1.662) 6.776 3.663 ( 2.976 0.000 4.083) 5.052 3.794 ( 2.841 0.000 -0.587) 2.901 3.897 ( 0.246 0.000 -4.090) 4.097 3.943 ( 3.714 0.000 -0.831) 3.806 3.979 ( 12.433 0.000 -6.919) 14.229 3.990 ( -0.223 0.000 -0.909) 0.936 4.036 ( 9.179 0.000 -1.458) 9.294 4.175 ( -0.437 0.000 0.361) 0.567 4.399 ( 3.154 0.000 4.744) 5.697 4.457 ( -4.322 0.000 2.032) 4.776 4.578 ( -3.712 0.000 7.318) 8.206 4.864 ( -3.366 0.000 6.854) 7.635 4.962 ( -5.264 0.000 0.598) 5.298 5.082 ( -0.419 0.000 5.680) 5.695 5.125 ( 9.153 0.000 -5.388) 10.621 5.145 ( -1.134 0.000 0.975) 1.496 5.250 ( 9.910 0.000 -2.654) 10.259 5.488 ( 7.763 0.000 -6.496) 10.122 5.656 ( 2.654 0.000 -0.533) 2.707 5.707 ( 1.809 0.000 3.356) 3.812 5.801 ( 0.694 0.000 4.310) 4.366 5.838 ( -4.170 0.000 -1.181) 4.333 6.072 ( 1.032 0.000 -3.820) 3.957 6.236 ( 8.059 0.000 -0.243) 8.062 6.272 ( 2.654 0.000 3.949) 4.758 6.647 ( 7.085 0.000 -1.217) 7.189 6.696 ( 5.560 0.000 -1.095) 5.667 6.939 ( -2.730 0.000 -1.420) 3.077 7.094 ( 0.139 0.000 -0.260) 0.295 7.469 ( -12.607 0.000 -0.780) 12.631 7.592 ( -11.778 0.000 1.099) 11.829 8.065 ( -8.246 0.000 0.185) 8.248 8.138 ( -6.351 0.000 -1.690) 6.572 8.345 ( -11.022 0.000 -4.895) 12.060 8.780 ( -8.025 0.000 2.765) 8.488 8.813 ( -10.655 0.000 8.652) 13.725 9.154 ( -4.220 0.000 -2.415) 4.862 9.270 ( 0.186 0.000 -2.454) 2.461 9.276 ( -4.346 0.000 -3.793) 5.768 9.452 ( 2.307 0.000 -0.804) 2.443 9.543 ( -4.175 0.000 3.657) 5.550 9.668 ( 2.407 0.000 12.387) 12.619 9.806 ( 1.248 0.000 -10.727) 10.799 10.100 ( 1.573 0.000 -2.906) 3.304 10.328 ( -8.126 0.000 7.145) 10.821 10.542 ( 1.445 0.000 -10.722) 10.819 10.659 ( -4.670 0.000 2.578) 5.334 10.833 ( 0.964 0.000 0.963) 1.363 10.955 ( 1.730 0.000 -9.823) 9.975 11.091 ( 3.181 0.000 10.845) 11.302 11.215 ( -4.727 0.000 1.912) 5.099 11.494 ( 1.448 0.000 -1.440) 2.042 11.628 ( -0.971 0.000 -4.056) 4.170 11.691 ( 0.081 0.000 -0.363) 0.372 11.847 ( 2.572 0.000 0.186) 2.578 11.954 ( -0.206 0.000 -2.242) 2.251 12.031 ( 0.156 0.000 1.486) 1.494 12.548 ( 3.470 0.000 4.260) 5.494 12.659 ( 6.506 0.000 -4.487) 7.903 12.834 ( -1.552 0.000 1.187) 1.954 12.851 ( 3.608 0.000 1.365) 3.858 14.301 ( -1.904 0.000 -0.441) 1.954 14.350 ( -0.189 0.000 0.505) 0.539 14.353 ( -0.233 0.000 0.191) 0.301 14.510 ( 1.014 0.000 -0.270) 1.049 15.196 ( -3.318 0.000 -3.518) 4.836 15.288 ( -4.733 0.000 -4.894) 6.808 15.487 ( -5.538 0.000 2.655) 6.142 15.660 ( -1.839 0.000 0.112) 1.842 15.835 ( -0.795 0.000 0.866) 1.175 15.880 ( 4.841 0.000 -4.865) 6.864 15.883 ( -3.735 0.000 7.520) 8.397 15.948 ( 0.362 0.000 -1.361) 1.408 16.060 ( 4.584 0.000 -0.164) 4.587 16.179 ( 5.051 0.000 -0.446) 5.071 16.383 ( -2.425 0.000 -2.776) 3.686 16.418 ( -4.633 0.000 10.591) 11.560 16.932 ( -2.294 0.000 1.487) 2.734 17.036 ( 0.309 0.000 -3.467) 3.480 17.278 ( 3.029 0.000 -1.385) 3.330 17.297 ( 3.455 0.000 -0.979) 3.591 18.058 ( -1.325 0.000 -5.152) 5.319 18.125 ( 1.019 0.000 3.134) 3.296 18.460 ( -4.663 0.000 1.475) 4.891 18.531 ( -2.189 0.000 2.096) 3.030 21.442 ( 1.684 0.000 -1.068) 1.994 21.541 ( 2.066 0.000 -1.255) 2.417 21.896 ( -4.062 0.000 0.119) 4.064 22.002 ( -2.635 0.000 0.534) 2.689 27.590 ( -4.717 0.000 -4.206) 6.320 27.688 ( -9.753 0.000 -9.988) 13.959 27.861 ( -5.447 0.000 2.863) 6.154 28.000 ( -7.577 0.000 4.702) 8.918 29.213 ( 0.654 0.000 -1.000) 1.195 29.257 ( 0.641 0.000 0.679) 0.934 29.359 ( -2.399 0.000 -1.173) 2.670 29.390 ( -1.355 0.000 0.608) 1.485 30.211 ( -1.699 0.000 -2.785) 3.263 30.289 ( 0.461 0.000 -0.940) 1.047 30.571 ( -6.273 0.000 -1.176) 6.383 30.719 ( -3.453 0.000 1.789) 3.889 31.441 ( 2.869 0.000 3.219) 4.312 31.458 ( 5.814 0.000 -3.202) 6.637 31.907 ( 1.869 0.000 -2.577) 3.183 31.929 ( 2.489 0.000 -1.220) 2.772 32.032 ( 7.030 0.000 0.718) 7.067 32.090 ( 5.809 0.000 -0.610) 5.841 32.218 ( 6.185 0.000 7.348) 9.605 32.620 ( 0.757 0.000 -5.884) 5.932 32.856 ( 9.374 0.000 3.938) 10.167 32.937 ( 6.987 0.000 -0.180) 6.989 33.615 ( 2.628 0.000 -2.481) 3.614 33.630 ( 2.854 0.000 0.201) 2.861 34.108 ( -3.755 0.000 8.826) 9.592 34.405 ( 0.819 0.000 -5.505) 5.566 34.502 ( 0.404 0.000 -3.831) 3.852 34.918 ( 0.952 0.000 10.495) 10.539 ======================= Grid point 151 (68/88) ======================= q-point: ( 0.30 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.778 ( 30.233 0.000 4.170) 30.519 2.126 ( 25.243 0.000 -7.519) 26.339 2.150 ( 12.773 0.000 4.570) 13.565 2.242 ( 7.622 0.000 6.406) 9.956 2.409 ( -0.227 0.000 -1.231) 1.252 2.758 ( 3.555 0.000 1.722) 3.950 2.907 ( 4.925 0.000 -3.860) 6.257 2.958 ( -3.481 0.000 -0.539) 3.523 3.102 ( 10.939 0.000 -1.661) 11.064 3.110 ( 9.608 0.000 1.960) 9.806 3.192 ( -1.354 0.000 -8.759) 8.863 3.385 ( 1.552 0.000 8.133) 8.280 3.470 ( -7.573 0.000 4.228) 8.673 3.509 ( 6.087 0.000 0.335) 6.096 3.658 ( -4.698 0.000 2.268) 5.217 3.780 ( 3.649 0.000 -3.604) 5.129 3.781 ( 1.233 0.000 -6.264) 6.384 3.933 ( 2.295 0.000 -0.132) 2.299 3.988 ( 3.086 0.000 1.647) 3.498 4.103 ( 16.716 0.000 -0.990) 16.745 4.121 ( 8.656 0.000 -8.069) 11.834 4.241 ( 8.148 0.000 2.371) 8.486 4.325 ( 7.536 0.000 -4.756) 8.911 4.367 ( -0.323 0.000 -0.778) 0.843 4.500 ( 4.266 0.000 4.892) 6.491 4.693 ( 7.194 0.000 16.030) 17.570 4.832 ( -8.861 0.000 13.001) 15.734 4.926 ( 0.913 0.000 0.388) 0.992 5.070 ( -4.483 0.000 2.401) 5.086 5.186 ( 3.604 0.000 4.848) 6.041 5.236 ( 6.338 0.000 -6.128) 8.816 5.430 ( 10.301 0.000 -2.483) 10.596 5.510 ( 1.533 0.000 -7.618) 7.770 5.605 ( -2.604 0.000 -9.045) 9.412 5.753 ( 1.565 0.000 -1.319) 2.047 5.798 ( -3.719 0.000 2.542) 4.504 5.801 ( 3.275 0.000 -3.030) 4.462 6.118 ( 4.484 0.000 -1.080) 4.613 6.317 ( 2.521 0.000 -2.206) 3.350 6.376 ( 5.820 0.000 0.608) 5.851 6.737 ( 2.453 0.000 -4.155) 4.826 6.760 ( 7.601 0.000 -6.648) 10.098 6.883 ( -4.637 0.000 3.338) 5.714 7.082 ( -3.421 0.000 2.120) 4.025 7.264 ( -9.264 0.000 2.817) 9.683 7.375 ( -10.634 0.000 -0.257) 10.637 7.929 ( -7.192 0.000 3.076) 7.822 7.968 ( -8.576 0.000 -3.125) 9.128 8.181 ( -4.298 0.000 1.295) 4.489 8.679 ( -6.505 0.000 2.421) 6.940 8.712 ( -7.765 0.000 11.311) 13.720 9.007 ( -5.372 0.000 -7.263) 9.034 9.210 ( -2.850 0.000 2.467) 3.769 9.259 ( -0.121 0.000 -0.224) 0.254 9.427 ( -1.310 0.000 -3.241) 3.496 9.481 ( -4.796 0.000 2.835) 5.571 9.740 ( 1.032 0.000 -11.185) 11.232 9.794 ( -2.790 0.000 13.320) 13.609 10.183 ( 7.724 0.000 1.674) 7.903 10.257 ( -3.672 0.000 5.246) 6.404 10.465 ( -0.439 0.000 -10.348) 10.358 10.613 ( -1.049 0.000 -0.744) 1.286 10.871 ( -1.704 0.000 -10.989) 11.120 10.887 ( 1.249 0.000 3.765) 3.967 11.131 ( -2.777 0.000 3.089) 4.154 11.218 ( -1.480 0.000 11.589) 11.683 11.425 ( -2.240 0.000 -6.845) 7.202 11.593 ( -0.831 0.000 -4.888) 4.959 11.710 ( 1.025 0.000 2.012) 2.258 11.875 ( 1.499 0.000 -3.783) 4.069 11.947 ( 0.619 0.000 -0.185) 0.646 12.045 ( -0.169 0.000 1.114) 1.127 12.641 ( 2.862 0.000 3.730) 4.701 12.725 ( 3.076 0.000 -2.534) 3.985 12.840 ( 2.073 0.000 0.218) 2.085 12.931 ( 2.574 0.000 2.654) 3.697 14.278 ( -0.458 0.000 0.216) 0.506 14.348 ( -0.318 0.000 -0.416) 0.523 14.360 ( 0.274 0.000 1.931) 1.951 14.514 ( 0.008 0.000 -1.367) 1.367 15.146 ( 0.575 0.000 -2.715) 2.775 15.208 ( 0.367 0.000 -5.910) 5.921 15.418 ( -4.834 0.000 3.856) 6.184 15.571 ( -6.318 0.000 -0.903) 6.382 15.840 ( 1.321 0.000 -2.052) 2.440 15.889 ( -2.371 0.000 8.983) 9.290 15.913 ( 1.648 0.000 -3.536) 3.902 15.944 ( 0.696 0.000 -1.543) 1.693 16.150 ( 4.601 0.000 0.558) 4.635 16.254 ( 3.331 0.000 -1.309) 3.579 16.375 ( 1.338 0.000 0.746) 1.532 16.422 ( -1.692 0.000 6.070) 6.302 16.930 ( -0.164 0.000 3.260) 3.264 17.007 ( -0.003 0.000 -4.095) 4.095 17.276 ( 0.509 0.000 -5.139) 5.164 17.314 ( 0.016 0.000 -1.971) 1.971 18.023 ( 0.312 0.000 -0.804) 0.863 18.165 ( 0.932 0.000 1.940) 2.152 18.379 ( -4.587 0.000 1.001) 4.695 18.481 ( -3.354 0.000 -0.527) 3.395 21.492 ( 3.689 0.000 -0.277) 3.699 21.576 ( 2.470 0.000 -0.631) 2.550 21.828 ( -3.313 0.000 0.358) 3.333 21.944 ( -4.052 0.000 0.722) 4.116 27.496 ( -2.449 0.000 -0.661) 2.536 27.537 ( -2.677 0.000 -2.258) 3.502 27.757 ( -6.161 0.000 -0.515) 6.182 27.885 ( -7.424 0.000 1.558) 7.585 29.224 ( 1.017 0.000 -0.398) 1.092 29.270 ( 0.293 0.000 0.208) 0.359 29.321 ( -0.967 0.000 -0.730) 1.212 29.368 ( -1.397 0.000 0.343) 1.438 30.197 ( 1.232 0.000 0.026) 1.233 30.306 ( 1.574 0.000 -1.122) 1.933 30.464 ( -4.663 0.000 0.629) 4.706 30.643 ( -5.303 0.000 0.190) 5.306 31.535 ( 4.540 0.000 2.761) 5.313 31.550 ( 6.398 0.000 -3.216) 7.161 31.904 ( -0.147 0.000 -1.986) 1.992 31.935 ( -1.589 0.000 0.062) 1.590 32.176 ( 4.990 0.000 -2.147) 5.432 32.205 ( 9.898 0.000 0.677) 9.921 32.415 ( 5.275 0.000 12.750) 13.798 32.563 ( -1.380 0.000 -6.756) 6.895 32.995 ( 4.846 0.000 -0.447) 4.866 33.031 ( 3.869 0.000 -2.432) 4.570 33.646 ( 3.213 0.000 -3.291) 4.599 33.690 ( 3.588 0.000 -1.356) 3.836 34.137 ( -1.922 0.000 11.220) 11.383 34.342 ( -3.008 0.000 -2.934) 4.202 34.527 ( 5.864 0.000 -6.039) 8.418 34.940 ( -4.320 0.000 5.411) 6.924 ======================= Grid point 152 (69/88) ======================= q-point: ( 0.40 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.295 ( 13.808 0.000 1.890) 13.937 2.301 ( 3.627 0.000 0.518) 3.664 2.432 ( 17.582 0.000 6.868) 18.876 2.469 ( 3.646 0.000 5.000) 6.188 2.573 ( 20.266 0.000 -7.341) 21.554 2.721 ( -6.727 0.000 -2.522) 7.184 2.924 ( 1.136 0.000 2.489) 2.735 2.926 ( 1.831 0.000 -1.109) 2.141 3.138 ( 5.827 0.000 -11.572) 12.956 3.172 ( -2.702 0.000 0.449) 2.739 3.235 ( -0.704 0.000 5.516) 5.561 3.302 ( -8.438 0.000 -3.501) 9.136 3.495 ( -1.088 0.000 10.548) 10.603 3.547 ( -4.462 0.000 -3.695) 5.793 3.679 ( 8.689 0.000 7.936) 11.767 3.782 ( 0.865 0.000 0.338) 0.929 3.808 ( -0.407 0.000 3.268) 3.293 3.967 ( -0.045 0.000 5.007) 5.007 4.016 ( -0.753 0.000 -1.682) 1.843 4.134 ( 0.431 0.000 -12.173) 12.180 4.248 ( 3.038 0.000 -2.741) 4.092 4.251 ( -2.300 0.000 -3.178) 3.923 4.460 ( 4.763 0.000 -0.122) 4.764 4.561 ( 10.698 0.000 1.832) 10.853 4.651 ( 7.049 0.000 7.090) 9.997 4.766 ( -4.136 0.000 12.033) 12.724 4.934 ( -1.765 0.000 -0.175) 1.774 4.963 ( 5.399 0.000 11.323) 12.544 5.026 ( 1.749 0.000 -2.402) 2.971 5.211 ( -1.049 0.000 -18.207) 18.237 5.307 ( 4.132 0.000 6.634) 7.816 5.432 ( -0.842 0.000 -8.110) 8.154 5.528 ( 7.527 0.000 -5.165) 9.128 5.648 ( 6.818 0.000 1.293) 6.939 5.762 ( 1.995 0.000 -4.847) 5.241 5.776 ( 1.966 0.000 0.554) 2.043 5.868 ( 3.712 0.000 0.276) 3.722 6.078 ( -9.417 0.000 0.452) 9.428 6.399 ( 6.961 0.000 1.386) 7.098 6.476 ( 6.188 0.000 -5.084) 8.009 6.760 ( 1.779 0.000 0.532) 1.857 6.777 ( 0.532 0.000 -7.661) 7.679 6.862 ( -0.058 0.000 2.844) 2.845 6.971 ( -9.433 0.000 1.327) 9.526 7.134 ( -6.474 0.000 1.042) 6.557 7.206 ( -7.238 0.000 -0.201) 7.240 7.851 ( -1.164 0.000 -2.309) 2.586 7.853 ( -3.964 0.000 4.822) 6.242 8.183 ( 1.016 0.000 7.107) 7.179 8.530 ( -8.745 0.000 -3.732) 9.508 8.699 ( -3.290 0.000 12.534) 12.958 8.869 ( -2.546 0.000 -9.242) 9.587 9.211 ( 0.226 0.000 4.263) 4.269 9.264 ( 0.393 0.000 0.568) 0.691 9.378 ( -0.690 0.000 -4.038) 4.097 9.408 ( -4.947 0.000 2.375) 5.488 9.691 ( 3.211 0.000 -10.941) 11.402 9.770 ( -7.088 0.000 8.696) 11.219 10.247 ( -2.862 0.000 11.281) 11.638 10.379 ( 0.428 0.000 -12.108) 12.116 10.409 ( 12.316 0.000 1.572) 12.416 10.611 ( 0.732 0.000 1.225) 1.426 10.752 ( -2.796 0.000 -7.746) 8.235 10.847 ( -7.346 0.000 -0.203) 7.349 11.179 ( 3.793 0.000 7.438) 8.350 11.264 ( -2.553 0.000 11.147) 11.435 11.346 ( 0.099 0.000 -8.622) 8.623 11.499 ( -4.018 0.000 -7.198) 8.244 11.754 ( 1.242 0.000 3.495) 3.709 11.851 ( 0.053 0.000 -5.255) 5.255 11.971 ( 1.433 0.000 0.736) 1.611 12.037 ( -1.189 0.000 0.090) 1.192 12.708 ( 1.751 0.000 2.213) 2.822 12.744 ( 0.540 0.000 -0.548) 0.769 12.902 ( 4.029 0.000 -0.940) 4.137 12.974 ( -0.123 0.000 2.089) 2.092 14.285 ( 0.641 0.000 0.893) 1.099 14.333 ( -0.669 0.000 -0.967) 1.176 14.391 ( 0.871 0.000 3.157) 3.275 14.488 ( -0.998 0.000 -2.912) 3.078 15.177 ( 4.287 0.000 -1.351) 4.495 15.207 ( 3.550 0.000 -4.309) 5.583 15.352 ( -5.352 0.000 3.594) 6.447 15.430 ( -7.343 0.000 -1.381) 7.472 15.851 ( 2.071 0.000 -3.344) 3.934 15.895 ( -2.011 0.000 1.282) 2.385 15.921 ( -1.879 0.000 8.891) 9.088 15.950 ( 2.340 0.000 -5.264) 5.761 16.230 ( 2.994 0.000 1.132) 3.200 16.283 ( 1.319 0.000 -2.075) 2.459 16.417 ( 1.698 0.000 1.547) 2.297 16.443 ( 0.085 0.000 2.343) 2.344 16.957 ( -0.492 0.000 4.309) 4.337 16.982 ( 0.781 0.000 -4.136) 4.209 17.250 ( 0.746 0.000 -3.718) 3.792 17.285 ( -1.268 0.000 -1.706) 2.126 18.051 ( 1.755 0.000 2.170) 2.791 18.171 ( -1.459 0.000 -0.547) 1.558 18.326 ( -1.484 0.000 2.004) 2.494 18.410 ( -2.807 0.000 -2.133) 3.525 21.564 ( 4.119 0.000 -0.766) 4.190 21.619 ( 1.620 0.000 0.779) 1.797 21.780 ( -1.383 0.000 -0.536) 1.483 21.864 ( -4.855 0.000 0.907) 4.939 27.484 ( 0.078 0.000 2.320) 2.321 27.529 ( 1.575 0.000 2.521) 2.973 27.634 ( -5.129 0.000 -2.833) 5.860 27.748 ( -6.577 0.000 -2.119) 6.910 29.242 ( 1.052 0.000 -0.042) 1.053 29.270 ( -0.275 0.000 -0.055) 0.280 29.310 ( 0.047 0.000 -0.024) 0.052 29.343 ( -1.274 0.000 -0.205) 1.290 30.250 ( 3.123 0.000 2.265) 3.858 30.322 ( 1.387 0.000 -2.206) 2.606 30.407 ( -2.378 0.000 2.056) 3.144 30.530 ( -5.833 0.000 -1.470) 6.015 31.642 ( 4.601 0.000 1.776) 4.932 31.643 ( 5.631 0.000 -2.582) 6.195 31.873 ( -1.390 0.000 -2.170) 2.577 31.881 ( -4.458 0.000 2.222) 4.981 32.254 ( 4.481 0.000 -0.921) 4.575 32.362 ( 4.371 0.000 -1.889) 4.762 32.506 ( 2.529 0.000 -4.586) 5.237 32.567 ( 0.049 0.000 11.916) 11.917 33.049 ( 1.615 0.000 -0.758) 1.784 33.055 ( 1.521 0.000 -3.148) 3.496 33.686 ( 2.550 0.000 -0.985) 2.734 33.727 ( 2.006 0.000 -3.196) 3.774 34.189 ( -0.765 0.000 8.438) 8.473 34.275 ( -1.774 0.000 -2.462) 3.035 34.619 ( 7.708 0.000 -3.895) 8.636 34.863 ( -6.418 0.000 2.167) 6.774 ======================= Grid point 153 (70/88) ======================= q-point: (-0.50 0.00 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 44 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.374 ( -1.632 0.000 -1.775) 2.412 2.374 ( 1.632 0.000 1.775) 2.412 2.572 ( -4.312 0.000 -3.248) 5.398 2.572 ( 4.312 0.000 3.248) 5.398 2.715 ( -0.084 0.000 -7.288) 7.288 2.715 ( 0.084 0.000 7.288) 7.288 3.034 ( -2.818 0.000 0.477) 2.858 3.034 ( 2.818 0.000 -0.477) 2.858 3.091 ( -4.831 0.000 -4.303) 6.470 3.091 ( 4.831 0.000 4.303) 6.470 3.189 ( 8.546 0.000 -10.589) 13.607 3.189 ( -8.546 0.000 10.589) 13.607 3.507 ( 4.662 0.000 -9.606) 10.677 3.507 ( -4.662 0.000 9.606) 10.677 3.784 ( 2.125 0.000 -2.631) 3.382 3.784 ( -2.125 0.000 2.631) 3.382 3.947 ( -4.487 0.000 -11.190) 12.056 3.947 ( 4.487 0.000 11.190) 12.056 4.000 ( 0.514 0.000 -11.522) 11.533 4.000 ( -0.514 0.000 11.522) 11.533 4.240 ( -1.002 0.000 -1.203) 1.565 4.240 ( 1.002 0.000 1.203) 1.565 4.549 ( 5.698 0.000 -1.907) 6.008 4.549 ( -5.698 0.000 1.907) 6.008 4.826 ( -7.699 0.000 -1.303) 7.809 4.826 ( 7.699 0.000 1.303) 7.809 4.951 ( -4.972 0.000 -20.423) 21.020 4.951 ( 4.972 0.000 20.423) 21.020 5.071 ( 3.977 0.000 -6.671) 7.766 5.071 ( -3.977 0.000 6.671) 7.766 5.394 ( 0.161 0.000 -5.379) 5.381 5.394 ( -0.161 0.000 5.379) 5.381 5.701 ( 6.432 0.000 -4.415) 7.801 5.701 ( -6.432 0.000 4.415) 7.801 5.775 ( -5.107 0.000 -0.103) 5.108 5.775 ( 5.107 0.000 0.103) 5.108 5.917 ( -2.191 0.000 -0.254) 2.206 5.917 ( 2.191 0.000 0.254) 2.206 6.509 ( 1.494 0.000 -8.232) 8.367 6.509 ( -1.494 0.000 8.232) 8.367 6.790 ( 8.944 0.000 -12.315) 15.220 6.790 ( -8.944 0.000 12.315) 15.220 6.834 ( 3.747 0.000 -5.123) 6.347 6.834 ( -3.747 0.000 5.123) 6.347 7.101 ( -2.947 0.000 -0.300) 2.962 7.101 ( 2.947 0.000 0.300) 2.962 7.841 ( 1.688 0.000 -4.311) 4.630 7.841 ( -1.688 0.000 4.311) 4.630 8.324 ( -6.907 0.000 -8.667) 11.083 8.324 ( 6.907 0.000 8.667) 11.083 8.766 ( -0.160 0.000 -11.403) 11.404 8.766 ( 0.160 0.000 11.403) 11.404 9.261 ( -0.861 0.000 -2.785) 2.915 9.261 ( 0.861 0.000 2.785) 2.915 9.354 ( 2.247 0.000 -4.020) 4.606 9.354 ( -2.247 0.000 4.020) 4.606 9.705 ( 6.225 0.000 -9.026) 10.964 9.705 ( -6.225 0.000 9.026) 10.964 10.300 ( 1.349 0.000 -12.511) 12.583 10.300 ( -1.349 0.000 12.511) 12.583 10.647 ( -7.206 0.000 -0.403) 7.217 10.647 ( 7.206 0.000 0.403) 7.217 10.665 ( 2.117 0.000 -2.449) 3.237 10.665 ( -2.117 0.000 2.449) 3.237 11.292 ( 1.181 0.000 -9.740) 9.811 11.292 ( -1.181 0.000 9.740) 9.811 11.347 ( -4.961 0.000 -8.674) 9.992 11.347 ( 4.961 0.000 8.674) 9.992 11.805 ( -0.834 0.000 -4.612) 4.687 11.805 ( 0.834 0.000 4.612) 4.687 12.007 ( -1.676 0.000 -0.554) 1.765 12.007 ( 1.676 0.000 0.554) 1.765 12.740 ( -0.530 0.000 -0.808) 0.967 12.740 ( 0.530 0.000 0.808) 0.967 12.959 ( 2.675 0.000 -1.383) 3.011 12.959 ( -2.675 0.000 1.383) 3.011 14.309 ( -0.932 0.000 -1.179) 1.503 14.309 ( 0.932 0.000 1.179) 1.503 14.438 ( -1.298 0.000 -3.683) 3.905 14.438 ( 1.298 0.000 3.683) 3.905 15.255 ( 0.851 0.000 -0.921) 1.254 15.255 ( -0.851 0.000 0.921) 1.254 15.298 ( -2.183 0.000 -2.711) 3.481 15.298 ( 2.183 0.000 2.711) 3.481 15.868 ( 2.475 0.000 -3.170) 4.022 15.868 ( -2.475 0.000 3.170) 4.022 15.945 ( 2.192 0.000 -7.324) 7.645 15.945 ( -2.192 0.000 7.324) 7.645 16.276 ( -0.580 0.000 -1.879) 1.967 16.276 ( 0.580 0.000 1.879) 1.967 16.448 ( -0.644 0.000 -0.186) 0.671 16.448 ( 0.644 0.000 0.186) 0.671 16.972 ( 1.280 0.000 -4.254) 4.443 16.972 ( -1.280 0.000 4.254) 4.443 17.253 ( 1.275 0.000 -0.457) 1.355 17.253 ( -1.275 0.000 0.457) 1.355 18.113 ( -2.677 0.000 -2.488) 3.655 18.113 ( 2.677 0.000 2.488) 3.655 18.350 ( -1.472 0.000 -2.736) 3.107 18.350 ( 1.472 0.000 2.736) 3.107 21.623 ( 2.607 0.000 -1.768) 3.150 21.623 ( -2.607 0.000 1.768) 3.150 21.789 ( 3.410 0.000 -1.488) 3.721 21.789 ( -3.410 0.000 1.488) 3.721 27.533 ( -2.787 0.000 -3.444) 4.430 27.533 ( 2.787 0.000 3.444) 4.430 27.617 ( -4.621 0.000 -3.894) 6.043 27.617 ( 4.621 0.000 3.894) 6.043 29.260 ( -0.750 0.000 -0.084) 0.755 29.260 ( 0.750 0.000 0.084) 0.755 29.320 ( -0.846 0.000 -0.372) 0.924 29.320 ( 0.846 0.000 0.372) 0.924 30.316 ( -0.552 0.000 -3.041) 3.090 30.316 ( 0.552 0.000 3.041) 3.090 30.422 ( -2.967 0.000 -2.254) 3.726 30.422 ( 2.967 0.000 2.254) 3.726 31.702 ( 0.642 0.000 -0.755) 0.991 31.702 ( -0.642 0.000 0.755) 0.991 31.837 ( 1.325 0.000 -3.872) 4.092 31.837 ( -1.325 0.000 3.872) 4.092 32.330 ( -3.268 0.000 -1.497) 3.595 32.330 ( 3.268 0.000 1.497) 3.595 32.580 ( 6.016 0.000 -6.760) 9.049 32.580 ( -6.016 0.000 6.760) 9.049 33.057 ( 0.514 0.000 -1.118) 1.231 33.057 ( -0.514 0.000 1.118) 1.231 33.720 ( -0.462 0.000 -2.064) 2.115 33.720 ( 0.462 0.000 2.064) 2.115 34.232 ( -0.156 0.000 -4.688) 4.691 34.232 ( 0.156 0.000 4.688) 4.691 34.744 ( -7.552 0.000 1.840) 7.773 34.744 ( 7.552 0.000 -1.840) 7.773 ======================= Grid point 159 (71/88) ======================= q-point: ( 0.00 0.17 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 66 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.359 ( -0.745 13.636 -20.524) 24.653 1.359 ( 0.745 13.636 20.524) 24.653 1.557 ( -5.495 14.928 -25.642) 30.175 1.557 ( 5.495 14.928 25.642) 30.175 2.197 ( 13.618 19.520 -27.952) 36.712 2.197 ( -13.618 19.520 27.952) 36.712 2.587 ( -6.138 -2.408 -7.052) 9.655 2.587 ( 6.138 -2.408 7.052) 9.655 2.886 ( 1.465 -1.646 -3.625) 4.243 2.886 ( -1.465 -1.646 3.625) 4.243 3.079 ( -4.396 8.402 -9.649) 13.528 3.079 ( 4.396 8.402 9.649) 13.528 3.361 ( 1.087 2.528 -2.627) 3.804 3.361 ( -1.087 2.528 2.627) 3.804 3.636 ( -5.306 -8.436 -0.428) 9.976 3.636 ( 5.306 -8.436 0.428) 9.976 3.804 ( -0.282 -12.767 -11.374) 17.101 3.804 ( 0.282 -12.767 11.374) 17.101 3.873 ( -0.068 0.048 -5.012) 5.013 3.873 ( 0.068 0.048 5.012) 5.013 4.012 ( 0.660 2.412 -6.564) 7.024 4.012 ( -0.660 2.412 6.564) 7.024 4.361 ( -1.088 2.891 -2.080) 3.724 4.361 ( 1.088 2.891 2.080) 3.724 4.592 ( -8.193 -6.884 -1.284) 10.778 4.592 ( 8.193 -6.884 1.284) 10.778 4.882 ( -6.014 -6.408 -2.727) 9.202 4.882 ( 6.014 -6.408 2.727) 9.202 5.052 ( -2.469 -0.133 -3.425) 4.224 5.052 ( 2.469 -0.133 3.425) 4.224 5.170 ( -2.986 1.699 -1.022) 3.585 5.170 ( 2.986 1.699 1.022) 3.585 5.310 ( -1.239 1.460 -6.859) 7.121 5.310 ( 1.239 1.460 6.859) 7.121 5.674 ( 1.979 0.597 -6.783) 7.091 5.674 ( -1.979 0.597 6.783) 7.091 5.934 ( -1.485 4.566 -3.565) 5.981 5.934 ( 1.485 4.566 3.565) 5.981 6.347 ( 0.746 11.842 -1.901) 12.017 6.347 ( -0.746 11.842 1.901) 12.017 6.445 ( 4.047 0.278 -3.169) 5.148 6.445 ( -4.047 0.278 3.169) 5.148 7.007 ( 1.025 -6.527 -5.956) 8.895 7.007 ( -1.025 -6.527 5.956) 8.895 7.732 ( 0.121 -5.744 -4.565) 7.338 7.732 ( -0.121 -5.744 4.565) 7.338 8.194 ( 0.513 -10.188 -4.113) 10.999 8.194 ( -0.513 -10.188 4.113) 10.999 8.892 ( -3.144 -0.232 -4.880) 5.810 8.892 ( 3.144 -0.232 4.880) 5.810 8.989 ( -3.184 -1.412 -1.241) 3.697 8.989 ( 3.184 -1.412 1.241) 3.697 9.218 ( -1.323 -4.943 -0.993) 5.212 9.218 ( 1.323 -4.943 0.993) 5.212 9.642 ( -1.596 5.562 -7.654) 9.595 9.642 ( 1.596 5.562 7.654) 9.595 9.760 ( 2.711 -0.054 -4.144) 4.952 9.760 ( -2.711 -0.054 4.144) 4.952 10.263 ( -11.418 -15.481 -6.829) 20.412 10.263 ( 11.418 -15.481 6.829) 20.412 10.485 ( 6.727 -2.119 -8.171) 10.794 10.485 ( -6.727 -2.119 8.171) 10.794 10.842 ( -1.828 -2.492 -3.974) 5.035 10.842 ( 1.828 -2.492 3.974) 5.035 11.184 ( -3.833 1.422 -4.802) 6.307 11.184 ( 3.833 1.422 4.802) 6.307 11.356 ( -6.990 -9.241 -0.168) 11.588 11.356 ( 6.990 -9.241 0.168) 11.588 11.836 ( 1.637 0.182 -1.893) 2.509 11.836 ( -1.637 0.182 1.893) 2.509 12.021 ( 0.155 4.553 -3.056) 5.486 12.021 ( -0.155 4.553 3.056) 5.486 12.674 ( 4.666 13.196 -3.995) 14.556 12.674 ( -4.666 13.196 3.995) 14.556 12.889 ( -0.578 5.096 -2.723) 5.807 12.889 ( 0.578 5.096 2.723) 5.807 14.392 ( 0.291 2.498 -2.349) 3.441 14.392 ( -0.291 2.498 2.349) 3.441 14.438 ( -2.092 2.284 -1.839) 3.603 14.438 ( 2.092 2.284 1.839) 3.603 15.300 ( -3.902 -11.378 -5.788) 13.349 15.300 ( 3.902 -11.378 5.788) 13.349 15.652 ( 4.851 1.931 -7.101) 8.813 15.652 ( -4.851 1.931 7.101) 8.813 15.846 ( 0.515 1.982 -4.969) 5.375 15.846 ( -0.515 1.982 4.969) 5.375 15.959 ( -2.469 3.889 0.188) 4.610 15.959 ( 2.469 3.889 -0.188) 4.610 16.145 ( -0.994 9.711 -0.719) 9.788 16.145 ( 0.994 9.711 0.719) 9.788 16.616 ( -7.033 -2.259 -0.837) 7.434 16.616 ( 7.033 -2.259 0.837) 7.434 16.932 ( -8.013 -1.477 -2.907) 8.651 16.932 ( 8.013 -1.477 2.907) 8.651 17.056 ( -3.426 -0.377 0.388) 3.469 17.056 ( 3.426 -0.377 -0.388) 3.469 18.059 ( 2.853 -2.588 -4.855) 6.197 18.059 ( -2.853 -2.588 4.855) 6.197 18.489 ( 0.493 -4.672 -2.286) 5.225 18.489 ( -0.493 -4.672 2.286) 5.225 21.591 ( 1.629 7.963 -2.142) 8.406 21.591 ( -1.629 7.963 2.142) 8.406 22.059 ( -1.238 1.751 -0.727) 2.264 22.059 ( 1.238 1.751 0.727) 2.264 27.813 ( -1.191 -1.529 -4.364) 4.775 27.813 ( 1.191 -1.529 4.364) 4.775 28.262 ( -0.499 3.386 -7.256) 8.022 28.262 ( 0.499 3.386 7.256) 8.022 29.211 ( 0.082 -0.975 -1.105) 1.476 29.211 ( -0.082 -0.975 1.105) 1.476 29.469 ( -0.156 1.866 -3.632) 4.087 29.469 ( 0.156 1.866 3.632) 4.087 30.408 ( 0.273 -0.720 -6.282) 6.329 30.408 ( -0.273 -0.720 6.282) 6.329 30.788 ( 0.783 1.280 -1.438) 2.079 30.788 ( -0.783 1.280 1.438) 2.079 31.390 ( 1.268 2.158 -3.815) 4.563 31.390 ( -1.268 2.158 3.815) 4.563 31.818 ( -0.425 -4.210 -2.192) 4.766 31.818 ( 0.425 -4.210 2.192) 4.766 31.963 ( -1.047 1.532 -2.710) 3.284 31.963 ( 1.047 1.532 2.710) 3.284 32.059 ( -10.973 -0.170 -0.574) 10.989 32.059 ( 10.973 -0.170 0.574) 10.989 32.676 ( -1.798 -0.129 -4.807) 5.134 32.676 ( 1.798 -0.129 4.807) 5.134 33.285 ( -1.911 -17.955 -5.790) 18.962 33.285 ( 1.911 -17.955 5.790) 18.962 34.493 ( 0.684 9.937 -8.077) 12.824 34.493 ( -0.684 9.937 8.077) 12.824 34.636 ( -3.709 4.540 -4.137) 7.175 34.636 ( 3.709 4.540 4.137) 7.175 ======================= Grid point 161 (72/88) ======================= q-point: ( 0.10 0.17 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.302 ( 7.168 10.765 -24.129) 27.377 1.399 ( 14.509 13.744 -19.551) 27.958 1.635 ( 11.728 12.628 14.273) 22.377 1.913 ( 9.042 14.885 22.171) 28.193 2.269 ( 4.708 10.445 13.301) 17.555 2.370 ( 24.100 16.812 -24.788) 38.443 2.547 ( 8.078 1.161 -5.488) 9.835 2.783 ( 5.218 -1.442 3.235) 6.306 2.919 ( 3.467 1.482 -1.236) 3.968 2.965 ( 11.020 1.066 -3.935) 11.750 2.988 ( 3.095 1.112 -2.544) 4.158 3.233 ( 1.411 11.291 4.137) 12.107 3.372 ( 6.520 1.625 4.802) 8.259 3.439 ( 3.911 -0.079 2.678) 4.741 3.552 ( -4.137 -7.512 1.547) 8.714 3.669 ( -2.401 -12.847 -8.676) 15.688 3.747 ( 1.013 -4.881 -2.069) 5.397 3.797 ( 2.630 -3.488 -1.587) 4.648 3.822 ( -1.665 -5.292 -4.748) 7.302 3.906 ( 1.688 -1.298 3.584) 4.169 4.043 ( 3.674 6.240 -0.904) 7.297 4.121 ( 3.534 -0.071 -1.152) 3.718 4.289 ( -5.804 3.289 3.356) 7.468 4.300 ( -3.427 6.506 4.798) 8.780 4.519 ( -0.774 -4.688 4.576) 6.597 4.674 ( 0.371 -0.638 0.165) 0.757 4.735 ( -2.333 -4.054 -6.655) 8.135 4.947 ( 1.289 -5.118 -1.111) 5.394 5.041 ( 0.905 -2.202 1.905) 3.049 5.108 ( 0.245 -0.122 -6.420) 6.426 5.111 ( -3.483 1.322 6.634) 7.609 5.259 ( 4.370 1.286 -0.790) 4.623 5.345 ( 10.503 2.780 -4.900) 11.918 5.423 ( 4.373 -3.956 5.788) 8.263 5.631 ( 1.296 -3.354 -0.448) 3.623 5.826 ( 6.152 4.771 1.004) 7.850 5.882 ( -2.433 0.170 0.958) 2.620 6.040 ( 6.409 3.779 4.593) 8.743 6.248 ( -4.526 9.221 -1.791) 10.427 6.347 ( -2.701 7.723 3.627) 8.950 6.482 ( 5.939 0.324 -3.317) 6.810 6.556 ( 7.729 0.568 -0.497) 7.765 6.947 ( -1.943 -6.081 -4.639) 7.891 7.026 ( -0.755 -6.228 2.060) 6.603 7.642 ( -5.791 -5.923 -3.716) 9.079 7.710 ( -5.846 -3.454 2.251) 7.153 8.083 ( -7.251 -11.874 -0.318) 13.916 8.176 ( -4.809 -7.730 -0.459) 9.115 8.640 ( -13.323 3.223 -4.381) 14.391 8.856 ( -7.748 -6.846 -0.907) 10.379 8.901 ( -7.053 -2.367 7.577) 10.619 9.094 ( 1.715 -2.119 -3.512) 4.446 9.260 ( -0.264 -4.712 1.186) 4.867 9.297 ( 9.859 1.696 4.145) 10.829 9.492 ( -6.757 1.962 -6.544) 9.609 9.692 ( -3.292 9.113 2.703) 10.059 9.742 ( -1.748 3.640 5.885) 7.137 9.774 ( 3.463 -1.907 -7.082) 8.111 10.033 ( -5.714 -11.675 -5.820) 14.242 10.398 ( -5.853 -4.987 4.219) 8.771 10.486 ( 5.438 -14.720 -0.380) 15.697 10.559 ( 7.154 -4.540 -4.065) 9.397 10.771 ( -2.156 -0.763 1.096) 2.536 10.865 ( -2.639 0.526 2.828) 3.904 11.102 ( -3.176 -3.431 -0.323) 4.686 11.218 ( -3.985 -3.663 -0.722) 5.461 11.358 ( 8.114 -0.524 1.386) 8.248 11.449 ( 3.266 -11.525 -2.766) 12.294 11.781 ( -2.859 -0.140 -0.527) 2.910 11.877 ( 2.046 -3.055 -2.620) 4.515 12.010 ( -0.932 5.009 1.976) 5.465 12.057 ( 0.409 6.064 4.045) 7.301 12.640 ( -0.862 13.260 2.206) 13.470 12.740 ( 5.841 12.261 -5.229) 14.553 12.869 ( 0.648 5.963 -0.279) 6.005 12.918 ( 0.705 6.329 1.059) 6.455 14.358 ( -1.932 0.164 -1.866) 2.690 14.370 ( -3.529 2.996 2.307) 5.172 14.404 ( -0.267 3.109 -0.884) 3.243 14.492 ( 1.914 1.281 0.892) 2.470 15.182 ( -3.692 -7.480 -4.524) 9.489 15.374 ( -1.929 -11.218 5.707) 12.733 15.589 ( -3.572 0.504 2.159) 4.204 15.665 ( -0.945 7.251 -2.839) 7.844 15.797 ( -1.432 -1.999 0.333) 2.481 15.875 ( -1.101 2.909 2.130) 3.769 15.932 ( 0.191 4.166 -0.607) 4.214 16.005 ( 2.585 2.467 -0.232) 3.581 16.101 ( -1.527 8.889 -0.269) 9.023 16.193 ( 3.111 8.572 -0.499) 9.133 16.467 ( -7.141 0.727 7.907) 10.679 16.581 ( -9.163 3.110 -2.736) 10.056 16.956 ( 5.694 -5.192 -0.022) 7.706 16.991 ( -3.254 -0.144 1.948) 3.795 17.087 ( 7.473 -4.612 -3.465) 9.441 17.175 ( 6.925 -1.665 3.266) 7.836 18.040 ( -1.314 -4.078 1.905) 4.689 18.082 ( 1.190 -2.252 -2.313) 3.441 18.463 ( -2.748 -5.775 1.938) 6.683 18.491 ( -0.674 -3.767 0.797) 3.909 21.551 ( -2.464 8.337 -0.009) 8.693 21.606 ( 1.175 7.264 -2.014) 7.629 21.996 ( -4.496 1.488 -0.811) 4.805 22.055 ( -1.825 1.291 0.654) 2.329 27.722 ( -3.565 0.380 -6.110) 7.085 27.802 ( -3.467 -4.114 -3.641) 6.496 28.137 ( -8.254 4.262 1.802) 9.462 28.199 ( -12.312 6.869 6.965) 15.725 29.206 ( 0.337 -0.716 -1.195) 1.433 29.222 ( 0.498 -1.268 0.468) 1.440 29.427 ( -1.878 1.491 -1.051) 2.618 29.458 ( -3.932 2.133 2.591) 5.169 30.306 ( -3.784 0.357 -5.067) 6.334 30.345 ( -5.726 0.149 -1.185) 5.849 30.722 ( -5.645 1.687 -1.717) 6.137 30.760 ( -2.282 1.125 1.813) 3.124 31.389 ( 1.394 1.195 0.444) 1.889 31.423 ( 2.493 2.445 -0.138) 3.494 31.830 ( 3.207 -3.474 -1.727) 5.034 31.872 ( 3.627 -4.062 2.577) 6.024 31.917 ( 0.954 1.848 -1.818) 2.762 32.026 ( 3.165 1.935 2.912) 4.717 32.084 ( 7.114 0.757 -2.588) 7.608 32.471 ( 21.574 -3.796 11.132) 24.571 32.641 ( 1.614 -0.184 -5.596) 5.827 32.788 ( 6.859 -0.463 1.767) 7.098 33.282 ( 7.028 -18.420 -5.655) 20.511 33.406 ( 7.333 -13.132 1.398) 15.106 34.348 ( -8.064 10.350 -1.613) 13.219 34.519 ( -2.715 8.521 -1.273) 9.033 34.557 ( -1.363 1.491 -1.891) 2.768 34.769 ( 3.738 1.317 8.634) 9.500 ======================= Grid point 162 (73/88) ======================= q-point: ( 0.20 0.17 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.406 ( 20.424 13.229 -9.429) 26.098 1.691 ( 25.795 3.654 -12.525) 28.907 1.968 ( 13.894 10.581 7.172) 18.880 2.157 ( 1.985 11.444 18.777) 22.079 2.455 ( 5.687 3.700 -2.536) 7.243 2.574 ( 9.460 -2.780 0.016) 9.860 2.768 ( 13.986 1.364 -10.108) 17.310 2.909 ( 10.236 4.287 -1.492) 11.197 2.990 ( 3.911 1.520 -0.801) 4.272 3.087 ( 8.445 7.466 -4.335) 12.077 3.202 ( 10.900 10.669 -2.424) 15.444 3.316 ( 12.225 2.147 -1.516) 12.504 3.448 ( 0.106 -1.423 -0.660) 1.572 3.489 ( -3.984 -4.399 3.508) 6.894 3.568 ( 0.879 -4.527 -3.567) 5.830 3.669 ( 7.965 -1.343 3.371) 8.752 3.703 ( 7.245 -6.722 -2.476) 10.189 3.871 ( 3.019 2.527 0.508) 3.970 3.887 ( 3.975 -4.794 -4.584) 7.732 4.018 ( 7.094 -0.859 -0.532) 7.166 4.101 ( 0.722 5.663 4.850) 7.491 4.139 ( 7.612 5.948 0.650) 9.682 4.176 ( -2.940 8.680 -2.223) 9.430 4.412 ( 2.745 2.549 7.410) 8.302 4.511 ( -1.121 -4.393 5.266) 6.948 4.662 ( -1.263 11.969 -0.248) 12.038 4.752 ( 2.648 -6.366 1.364) 7.028 4.954 ( 1.493 -2.372 -2.128) 3.519 5.032 ( -2.785 -0.828 3.554) 4.590 5.085 ( -1.399 -2.216 5.600) 6.183 5.141 ( 4.353 -1.983 -2.003) 5.186 5.300 ( 1.985 -2.654 -2.469) 4.133 5.505 ( 9.679 0.470 -8.863) 13.132 5.554 ( 4.785 -3.577 6.064) 8.512 5.658 ( 1.965 -3.696 -2.517) 4.884 5.816 ( -3.850 3.009 2.652) 5.560 5.928 ( 1.107 1.290 0.050) 1.700 6.119 ( -1.273 4.814 -0.714) 5.030 6.246 ( 6.839 2.570 -1.013) 7.376 6.351 ( 0.105 5.544 3.248) 6.426 6.560 ( 5.936 -2.917 -5.809) 8.803 6.707 ( 7.068 -1.672 1.630) 7.444 6.880 ( -1.400 -5.468 -3.741) 6.772 7.022 ( -1.668 -5.587 2.987) 6.551 7.462 ( -9.676 -2.441 -2.867) 10.383 7.560 ( -10.113 -1.650 0.616) 10.265 7.947 ( -7.194 -11.737 0.658) 13.782 8.039 ( -8.418 -7.896 -0.540) 11.554 8.361 ( -12.329 1.949 -3.692) 13.017 8.694 ( -9.581 -4.789 4.539) 11.634 8.824 ( -6.505 0.373 6.410) 9.140 9.081 ( -0.550 -3.378 -4.334) 5.522 9.205 ( -5.416 -5.827 1.004) 8.019 9.325 ( -3.535 2.454 -3.971) 5.856 9.514 ( 6.692 3.363 1.526) 7.644 9.606 ( -6.219 6.139 2.518) 9.094 9.741 ( 0.487 -3.182 -5.076) 6.011 9.785 ( -1.211 5.038 4.548) 6.894 9.980 ( 2.666 -8.744 -1.083) 9.205 10.316 ( -5.407 -1.787 3.679) 6.780 10.513 ( 2.804 -7.081 -9.262) 11.991 10.645 ( 3.189 -7.411 -1.875) 8.283 10.770 ( -1.113 -1.165 1.574) 2.253 10.840 ( -1.738 1.366 4.751) 5.240 11.037 ( -2.090 -12.398 1.622) 12.677 11.194 ( -1.448 1.656 1.569) 2.702 11.399 ( -1.899 -9.579 -4.464) 10.737 11.515 ( 5.175 -2.726 -1.821) 6.126 11.719 ( -3.088 -2.097 -0.810) 3.820 11.855 ( -2.577 -7.649 -1.327) 8.180 12.006 ( 0.036 10.569 0.927) 10.609 12.102 ( 1.610 3.426 1.386) 4.031 12.679 ( 2.581 11.253 2.548) 11.823 12.806 ( 4.862 10.960 -4.593) 12.840 12.896 ( 1.251 6.600 1.035) 6.797 12.962 ( 3.179 9.045 2.120) 9.819 14.304 ( -2.346 0.372 -0.083) 2.377 14.335 ( -1.591 0.940 1.121) 2.162 14.390 ( -0.569 1.676 -0.433) 1.822 14.520 ( 0.737 0.804 -0.170) 1.104 15.108 ( -1.083 -3.824 -2.850) 4.891 15.333 ( -4.517 -3.227 3.249) 6.432 15.537 ( -3.039 1.386 -1.086) 3.512 15.606 ( -3.544 3.914 -1.459) 5.478 15.781 ( -0.797 -3.773 0.905) 3.961 15.868 ( -1.362 2.283 3.496) 4.392 15.946 ( 2.502 4.225 -2.898) 5.702 16.035 ( -0.827 3.240 1.806) 3.800 16.109 ( 3.441 5.515 -1.156) 6.603 16.258 ( 3.721 6.731 -0.091) 7.691 16.434 ( -3.482 2.395 1.337) 4.433 16.446 ( -2.321 4.506 3.705) 6.278 16.943 ( -1.398 0.668 0.686) 1.694 17.006 ( 0.693 -2.831 -1.825) 3.439 17.169 ( 3.455 -7.218 -3.842) 8.876 17.297 ( 3.040 -2.559 2.207) 4.545 18.010 ( -1.185 -4.072 -3.137) 5.275 18.091 ( 0.710 -3.058 1.484) 3.472 18.403 ( -4.865 -5.549 1.718) 7.577 18.478 ( -1.953 -4.639 0.918) 5.117 21.521 ( -0.041 6.970 -0.673) 7.003 21.615 ( 1.478 6.466 -1.644) 6.834 21.900 ( -4.631 0.298 -0.514) 4.669 22.015 ( -2.940 0.904 0.903) 3.206 27.603 ( -4.405 1.148 -4.534) 6.425 27.652 ( -5.522 -1.533 -7.367) 9.334 27.983 ( -11.268 8.324 4.341) 14.666 28.028 ( -8.423 2.666 4.489) 9.910 29.207 ( 0.687 -0.520 -0.943) 1.278 29.235 ( 0.653 -1.575 0.026) 1.705 29.383 ( -2.230 1.682 -0.469) 2.832 29.404 ( -2.315 1.262 0.804) 2.757 30.220 ( -1.825 0.861 -2.840) 3.484 30.286 ( 0.118 -0.330 -1.232) 1.281 30.590 ( -6.457 1.824 -0.970) 6.779 30.717 ( -3.964 -0.178 1.535) 4.254 31.450 ( 3.938 1.174 1.621) 4.417 31.483 ( 4.525 2.024 -1.530) 5.188 31.872 ( 2.482 -2.812 -2.023) 4.262 31.928 ( 1.404 -1.390 -1.127) 2.275 32.020 ( 8.309 -0.035 1.857) 8.514 32.139 ( 6.083 4.183 0.385) 7.392 32.194 ( 5.383 -1.671 4.580) 7.262 32.623 ( 0.867 0.006 -6.656) 6.713 32.839 ( 10.006 -1.601 5.136) 11.361 32.944 ( 8.761 0.383 0.197) 8.772 33.437 ( 10.065 -13.102 -0.962) 16.550 33.569 ( 8.716 -5.895 0.697) 10.545 34.203 ( -6.670 6.967 1.647) 9.785 34.437 ( -3.885 2.338 -2.963) 5.417 34.511 ( -1.106 1.077 -3.061) 3.428 34.867 ( -0.924 -4.539 8.450) 9.636 ======================= Grid point 163 (74/88) ======================= q-point: ( 0.30 0.17 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.860 ( 26.413 8.008 4.470) 27.960 2.100 ( 23.373 -2.502 -7.632) 24.714 2.238 ( 11.936 7.049 -0.104) 13.862 2.320 ( 3.909 8.390 10.647) 14.108 2.482 ( 3.156 4.741 -2.202) 6.106 2.718 ( 3.873 -3.216 1.395) 5.224 2.899 ( 4.685 0.590 -1.205) 4.873 3.011 ( 2.337 4.357 -2.908) 5.736 3.083 ( 5.432 -1.347 2.649) 6.192 3.161 ( -0.864 -0.099 -3.651) 3.753 3.286 ( 1.390 8.911 -0.569) 9.037 3.382 ( 3.475 1.095 2.122) 4.216 3.440 ( -1.363 -1.862 0.091) 2.309 3.560 ( 0.492 -5.436 0.596) 5.490 3.653 ( 5.408 10.098 2.385) 11.701 3.772 ( 0.949 -1.733 -2.081) 2.870 3.833 ( 2.636 4.529 -6.608) 8.434 3.907 ( 3.058 -0.856 -1.887) 3.694 3.962 ( 13.505 0.766 -1.265) 13.585 4.135 ( 2.721 4.957 0.993) 5.742 4.155 ( 3.035 -2.396 3.068) 4.936 4.243 ( 14.338 6.123 0.551) 15.601 4.356 ( 6.087 0.034 -0.725) 6.130 4.492 ( 2.995 2.400 6.230) 7.317 4.547 ( -1.398 11.120 -4.234) 11.981 4.709 ( 7.769 1.024 8.992) 11.928 4.780 ( -2.981 -2.430 9.180) 9.953 4.977 ( 1.090 -0.591 -2.743) 3.010 4.982 ( -3.284 -0.775 1.722) 3.788 5.156 ( 4.044 -0.114 8.127) 9.078 5.231 ( 5.881 -3.130 -3.662) 7.603 5.365 ( 7.386 -6.091 -2.157) 9.813 5.544 ( 1.984 -2.439 -7.357) 8.001 5.619 ( -0.395 1.990 -10.555) 10.748 5.686 ( 4.387 -1.793 3.016) 5.617 5.783 ( -0.997 0.891 0.835) 1.576 5.868 ( -3.450 -0.085 -3.973) 5.263 6.142 ( 2.713 2.300 0.035) 3.557 6.323 ( 1.631 -0.068 -2.015) 2.594 6.406 ( 4.946 4.135 0.471) 6.464 6.630 ( 5.964 -3.612 -4.798) 8.464 6.808 ( 0.438 -4.352 -5.772) 7.242 6.834 ( -0.723 -2.343 5.950) 6.436 6.999 ( -3.092 -5.525 2.057) 6.657 7.288 ( -6.978 0.502 0.011) 6.996 7.376 ( -9.128 0.365 0.360) 9.143 7.825 ( -6.611 -10.096 2.022) 12.236 7.866 ( -8.553 -9.134 -1.735) 12.633 8.169 ( -5.871 0.957 1.282) 6.085 8.579 ( -7.491 -5.156 6.720) 11.308 8.746 ( -6.663 0.307 5.348) 8.549 8.970 ( -5.301 -2.633 -6.807) 9.021 9.154 ( -0.928 -3.273 2.027) 3.960 9.283 ( -0.228 1.237 -0.092) 1.261 9.492 ( -4.773 5.355 0.569) 7.196 9.587 ( -1.297 5.319 1.220) 5.609 9.696 ( 1.060 -2.218 -9.015) 9.344 9.783 ( -4.342 -2.174 7.389) 8.841 10.096 ( 7.196 -5.448 3.492) 9.678 10.264 ( -1.853 -0.220 2.100) 2.809 10.469 ( 1.163 -3.289 -10.955) 11.497 10.655 ( -1.292 3.563 2.085) 4.326 10.745 ( 0.759 -8.260 -6.436) 10.498 10.881 ( 0.752 -1.941 7.042) 7.344 11.035 ( -1.463 -11.959 2.103) 12.230 11.147 ( -4.786 -2.320 2.554) 5.900 11.321 ( -2.819 -6.421 -1.188) 7.113 11.549 ( 0.896 -1.130 -4.813) 5.025 11.665 ( -2.076 -4.760 0.664) 5.236 11.791 ( -2.176 -7.878 -2.479) 8.541 12.026 ( 1.436 6.987 0.047) 7.133 12.125 ( 0.327 3.550 -0.213) 3.571 12.755 ( 2.810 9.784 2.844) 10.569 12.844 ( 2.038 9.667 -2.140) 10.109 12.945 ( 3.939 8.868 -1.173) 9.774 13.041 ( 2.246 9.108 3.358) 9.964 14.277 ( -0.847 0.179 0.859) 1.220 14.327 ( -0.044 0.016 0.404) 0.406 14.379 ( -0.523 0.566 0.709) 1.047 14.518 ( -0.244 0.318 -1.454) 1.508 15.101 ( 2.042 -1.361 -1.308) 2.781 15.282 ( -1.599 1.864 -1.043) 2.668 15.462 ( -4.162 3.717 -0.326) 5.590 15.508 ( -5.489 -2.592 -1.020) 6.155 15.786 ( 0.835 -2.963 0.125) 3.081 15.879 ( -0.511 1.816 3.528) 4.001 15.969 ( 2.136 4.064 -3.300) 5.654 16.016 ( -2.292 3.603 1.997) 4.714 16.185 ( 4.474 3.146 -0.228) 5.474 16.314 ( 1.907 4.887 -0.290) 5.254 16.403 ( -0.057 2.301 1.126) 2.563 16.473 ( 0.866 5.039 3.442) 6.164 16.945 ( 0.302 0.883 1.646) 1.892 16.993 ( 0.114 -1.034 -2.529) 2.735 17.177 ( 1.278 -6.850 -3.732) 7.905 17.324 ( -0.134 -1.445 -1.274) 1.931 17.982 ( 0.161 -3.746 -0.757) 3.825 18.119 ( 0.614 -4.428 1.359) 4.672 18.322 ( -4.483 -5.101 1.311) 6.917 18.427 ( -3.073 -4.912 -1.032) 5.885 21.540 ( 2.113 4.420 -0.160) 4.902 21.639 ( 2.011 5.657 -0.883) 6.069 21.821 ( -3.416 -0.560 -0.091) 3.462 21.957 ( -3.968 0.871 0.824) 4.145 27.511 ( -2.391 1.340 -0.932) 2.894 27.542 ( -2.363 0.440 -1.929) 3.081 27.815 ( -8.443 4.941 0.227) 9.785 27.901 ( -7.948 1.531 1.632) 8.257 29.218 ( 1.007 -0.522 -0.468) 1.227 29.246 ( 0.510 -1.562 -0.073) 1.645 29.346 ( -1.285 1.696 -0.280) 2.147 29.375 ( -1.549 0.556 0.395) 1.692 30.202 ( 1.040 0.537 -0.106) 1.175 30.296 ( 1.305 -0.965 -0.984) 1.898 30.480 ( -4.928 1.462 0.467) 5.161 30.633 ( -5.514 -0.923 0.178) 5.593 31.550 ( 4.788 1.513 2.466) 5.594 31.566 ( 5.940 1.443 -2.883) 6.759 31.882 ( 0.033 -1.924 -1.383) 2.370 31.924 ( -1.396 -1.369 -0.348) 1.986 32.182 ( 6.084 0.106 1.282) 6.218 32.252 ( 8.520 5.178 -2.540) 10.288 32.371 ( 5.413 -3.781 11.120) 12.933 32.566 ( -0.986 0.179 -7.284) 7.353 32.992 ( 5.863 0.093 -0.379) 5.876 33.081 ( 5.023 4.445 -0.665) 6.741 33.603 ( 8.479 -4.398 -1.849) 9.730 33.716 ( 5.374 1.390 1.343) 5.711 34.135 ( -3.144 0.190 4.677) 5.639 34.330 ( -4.868 -0.967 -2.466) 5.542 34.498 ( 2.947 -2.149 -3.822) 5.283 34.863 ( -4.333 -6.897 4.401) 9.258 ======================= Grid point 164 (75/88) ======================= q-point: ( 0.40 0.17 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.319 ( 10.325 2.478 -5.269) 11.854 2.322 ( 10.380 2.437 7.324) 12.936 2.467 ( 10.334 -2.650 -1.694) 10.802 2.509 ( 9.266 5.951 3.886) 11.677 2.626 ( 10.224 9.005 5.647) 14.748 2.761 ( 4.880 -1.001 -4.174) 6.499 2.931 ( 1.076 1.301 2.201) 2.774 2.971 ( -5.464 5.440 -1.076) 7.785 3.135 ( 7.038 0.591 -9.530) 11.862 3.154 ( -2.323 -4.231 2.376) 5.380 3.275 ( -3.856 5.266 5.434) 8.492 3.329 ( -6.641 2.189 -4.815) 8.490 3.511 ( 0.583 0.621 3.447) 3.550 3.552 ( -0.495 1.623 1.806) 2.478 3.737 ( 3.690 2.775 2.344) 5.178 3.797 ( 2.965 -0.060 -0.109) 2.967 3.836 ( 2.333 7.700 1.304) 8.151 3.961 ( 2.013 -0.711 2.325) 3.157 4.089 ( 1.369 3.527 -0.650) 3.839 4.144 ( -1.541 2.335 -6.043) 6.659 4.225 ( -0.780 0.303 4.869) 4.940 4.338 ( -1.860 3.525 -2.926) 4.944 4.467 ( 2.509 4.301 -0.795) 5.042 4.554 ( 5.436 -1.330 1.854) 5.895 4.626 ( 2.004 -3.324 9.322) 10.098 4.760 ( 2.302 2.739 0.757) 3.657 4.913 ( 3.595 -2.368 -2.448) 4.952 4.960 ( 0.945 0.219 -5.855) 5.934 5.049 ( 4.985 5.354 12.649) 14.612 5.279 ( 3.777 2.383 -7.329) 8.582 5.291 ( 3.280 -1.295 4.361) 5.608 5.411 ( -0.770 -0.131 -9.619) 9.651 5.554 ( 7.374 -1.614 -4.668) 8.875 5.601 ( 6.135 -2.270 -1.844) 6.796 5.763 ( 0.770 -0.206 -2.140) 2.284 5.773 ( 1.334 -0.137 1.186) 1.790 5.829 ( 1.694 -3.476 -0.259) 3.875 6.094 ( -8.079 0.858 -1.379) 8.240 6.381 ( 5.975 -2.638 -0.070) 6.532 6.504 ( 3.997 3.500 -0.084) 5.314 6.688 ( 2.902 -5.576 -6.517) 9.055 6.741 ( -0.365 -2.662 2.948) 3.989 6.870 ( -1.448 -0.862 2.067) 2.667 6.920 ( -5.518 -3.371 -1.767) 6.703 7.171 ( -5.721 2.002 0.790) 6.112 7.235 ( -6.116 1.691 0.017) 6.346 7.738 ( -3.095 -9.065 0.284) 9.583 7.747 ( -3.125 -10.214 0.818) 10.713 8.163 ( 1.229 -0.091 7.247) 7.351 8.473 ( -7.162 -4.338 -1.472) 8.501 8.686 ( -4.085 -0.928 8.880) 9.819 8.830 ( -3.132 -3.185 -8.291) 9.418 9.180 ( 1.798 -0.643 2.125) 2.857 9.282 ( -1.364 0.143 1.500) 2.032 9.437 ( -1.316 5.531 1.702) 5.934 9.539 ( -3.102 7.059 -1.396) 7.836 9.661 ( 2.688 -1.429 -8.652) 9.172 9.734 ( -5.692 -3.233 5.529) 8.568 10.211 ( -0.080 -4.168 7.286) 8.395 10.298 ( 2.975 -4.048 -3.226) 5.970 10.442 ( 5.872 -0.543 -5.462) 8.038 10.664 ( 0.293 4.752 3.681) 6.018 10.690 ( -1.438 -4.888 -6.363) 8.152 10.888 ( -6.157 -0.230 -0.422) 6.176 11.019 ( 0.403 -11.666 4.763) 12.607 11.101 ( -1.752 -14.583 1.102) 14.729 11.299 ( -0.406 -0.820 4.407) 4.501 11.484 ( -2.329 0.663 -7.321) 7.711 11.658 ( -0.130 -7.113 2.499) 7.540 11.736 ( -1.236 -8.585 -3.649) 9.410 12.056 ( 1.606 5.017 0.149) 5.270 12.115 ( -0.886 3.903 -0.635) 4.052 12.818 ( 1.701 9.265 2.325) 9.703 12.858 ( 0.813 9.706 -1.204) 9.814 13.014 ( 4.286 9.114 -1.729) 10.219 13.083 ( -0.386 9.019 2.716) 9.427 14.282 ( 0.279 0.060 1.592) 1.617 14.325 ( -0.010 0.079 -1.525) 1.527 14.392 ( 0.428 -0.140 3.252) 3.284 14.488 ( -1.058 0.028 -2.989) 3.171 15.161 ( 4.742 -0.082 -0.201) 4.747 15.264 ( 1.550 3.007 -2.909) 4.462 15.377 ( -5.458 1.881 1.377) 5.934 15.392 ( -5.698 -2.207 -0.910) 6.178 15.815 ( 2.172 -1.613 -0.056) 2.706 15.889 ( -0.906 0.946 1.448) 1.952 15.972 ( -0.639 3.739 0.927) 3.905 15.992 ( -0.473 2.954 -1.018) 3.160 16.259 ( 3.119 2.289 0.276) 3.879 16.322 ( -0.080 2.859 -0.921) 3.005 16.442 ( 2.094 2.822 2.269) 4.183 16.507 ( 0.546 5.373 0.536) 5.427 16.963 ( 0.445 -0.096 0.702) 0.837 16.981 ( 0.062 0.630 -0.925) 1.121 17.185 ( 1.762 -4.722 -0.841) 5.110 17.288 ( -1.680 -1.078 -2.821) 3.456 18.004 ( 1.560 -4.261 1.799) 4.881 18.115 ( -1.632 -5.247 -0.735) 5.544 18.276 ( -1.346 -4.463 2.351) 5.221 18.358 ( -2.587 -4.864 -2.437) 6.024 21.589 ( 3.041 2.464 -0.191) 3.919 21.667 ( 0.505 4.138 0.280) 4.178 21.777 ( -0.459 -0.103 -0.668) 0.817 21.881 ( -4.509 1.311 0.741) 4.754 27.498 ( 0.221 1.238 2.125) 2.469 27.535 ( 1.387 0.508 2.344) 2.770 27.669 ( -6.003 3.033 -2.459) 7.161 27.758 ( -6.815 0.860 -2.079) 7.177 29.236 ( 1.036 -0.592 -0.148) 1.202 29.253 ( 0.205 -1.141 0.109) 1.165 29.328 ( -0.509 1.267 -0.030) 1.366 29.349 ( -1.227 0.503 -0.149) 1.335 30.250 ( 2.932 0.078 2.090) 3.601 30.313 ( 1.436 -0.864 -1.488) 2.241 30.414 ( -2.781 0.595 1.380) 3.161 30.520 ( -5.766 -0.980 -1.364) 6.006 31.650 ( 4.819 0.965 -0.645) 4.957 31.662 ( 5.128 1.538 -0.205) 5.358 31.854 ( -2.141 -1.532 -0.479) 2.676 31.879 ( -3.126 -0.615 0.586) 3.239 32.274 ( 3.678 1.562 1.010) 4.122 32.382 ( 4.589 2.139 -4.387) 6.699 32.509 ( 2.175 0.074 -3.817) 4.394 32.524 ( 1.142 -3.655 9.843) 10.562 33.072 ( 2.895 2.815 0.084) 4.039 33.124 ( 1.308 6.571 -2.441) 7.130 33.722 ( 5.441 2.188 -1.646) 6.091 33.785 ( 1.698 5.561 -0.275) 5.821 34.141 ( -0.605 -4.887 4.994) 7.013 34.234 ( -3.336 -3.743 -1.849) 5.344 34.562 ( 6.119 -4.897 -2.555) 8.243 34.786 ( -5.964 -7.031 1.649) 9.366 ======================= Grid point 165 (76/88) ======================= q-point: (-0.50 0.17 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 66 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.415 ( 1.461 3.393 -3.278) 4.938 2.415 ( -1.461 3.393 3.278) 4.938 2.573 ( 3.561 1.174 -4.166) 5.605 2.573 ( -3.561 1.174 4.166) 5.605 2.795 ( -1.827 4.588 -5.684) 7.529 2.795 ( 1.827 4.588 5.684) 7.529 3.015 ( -8.254 -1.479 0.127) 8.387 3.015 ( 8.254 -1.479 -0.127) 8.387 3.101 ( -9.893 2.057 -6.435) 11.979 3.101 ( 9.893 2.057 6.435) 11.979 3.219 ( 7.601 2.826 -8.223) 11.548 3.219 ( -7.601 2.826 8.223) 11.548 3.537 ( 3.846 2.861 -7.395) 8.813 3.537 ( -3.846 2.861 7.395) 8.813 3.797 ( -0.920 0.544 -0.876) 1.382 3.797 ( 0.920 0.544 0.876) 1.382 3.977 ( -1.285 3.541 -10.781) 11.420 3.977 ( 1.285 3.541 10.781) 11.420 4.061 ( 2.055 3.502 -5.654) 6.961 4.061 ( -2.055 3.502 5.654) 6.961 4.255 ( -2.963 2.241 -3.411) 5.043 4.255 ( 2.963 2.241 3.411) 5.043 4.533 ( -1.993 -0.501 -2.875) 3.534 4.533 ( 1.993 -0.501 2.875) 3.534 4.782 ( -1.025 -4.590 -9.156) 10.294 4.782 ( 1.025 -4.590 9.156) 10.294 4.906 ( 4.941 2.189 -10.555) 11.858 4.906 ( -4.941 2.189 10.555) 11.858 5.212 ( -0.939 8.062 -12.958) 15.290 5.212 ( 0.939 8.062 12.958) 15.290 5.360 ( 1.023 -2.688 -6.458) 7.070 5.360 ( -1.023 -2.688 6.458) 7.070 5.684 ( 1.140 -2.917 -2.995) 4.333 5.684 ( -1.140 -2.917 2.995) 4.333 5.762 ( -3.652 -1.296 -0.427) 3.899 5.762 ( 3.652 -1.296 0.427) 3.899 5.908 ( -6.447 0.022 -1.492) 6.617 5.908 ( 6.447 0.022 1.492) 6.617 6.491 ( 1.362 -2.862 -5.088) 5.994 6.491 ( -1.362 -2.862 5.088) 5.994 6.759 ( 9.113 -1.440 -6.582) 11.333 6.759 ( -9.113 -1.440 6.582) 11.333 6.817 ( -3.301 -1.002 -0.741) 3.529 6.817 ( 3.301 -1.002 0.741) 3.529 7.145 ( -2.207 2.228 -1.136) 3.336 7.145 ( 2.207 2.228 1.136) 3.336 7.721 ( 1.264 -9.990 -2.866) 10.470 7.721 ( -1.264 -9.990 2.866) 10.470 8.300 ( -5.967 -1.542 -8.238) 10.288 8.300 ( 5.967 -1.542 8.238) 10.288 8.728 ( -0.170 -2.761 -9.954) 10.331 8.728 ( 0.170 -2.761 9.954) 10.331 9.240 ( -2.939 -0.310 -0.417) 2.984 9.240 ( 2.939 -0.310 0.417) 2.984 9.469 ( -1.413 6.791 -3.421) 7.734 9.469 ( 1.413 6.791 3.421) 7.734 9.675 ( 4.929 -1.943 -7.020) 8.795 9.675 ( -4.929 -1.943 7.020) 8.795 10.264 ( 0.188 -3.787 -7.963) 8.820 10.264 ( -0.188 -3.787 7.963) 8.820 10.585 ( -5.943 -2.905 -3.047) 7.282 10.585 ( 5.943 -2.905 3.047) 7.282 10.739 ( -5.039 3.013 -3.798) 6.993 10.739 ( 5.039 3.013 3.798) 6.993 11.072 ( -0.008 -16.256 -4.433) 16.850 11.072 ( 0.008 -16.256 4.433) 16.850 11.373 ( -2.132 1.988 -8.446) 8.935 11.373 ( 2.132 1.988 8.446) 8.935 11.689 ( -0.752 -8.453 -3.602) 9.219 11.689 ( 0.752 -8.453 3.602) 9.219 12.088 ( 0.382 4.307 -2.520) 5.005 12.088 ( -0.382 4.307 2.520) 5.005 12.852 ( -0.364 9.431 -1.596) 9.572 12.852 ( 0.364 9.431 1.596) 9.572 13.069 ( 2.732 9.038 -2.005) 9.652 13.069 ( -2.732 9.038 2.005) 9.652 14.305 ( -0.475 0.045 -1.987) 2.044 14.305 ( 0.475 0.045 1.987) 2.044 14.438 ( -1.085 -0.100 -4.104) 4.246 14.438 ( 1.085 -0.100 4.104) 4.246 15.265 ( -5.006 0.347 -0.583) 5.052 15.265 ( 5.006 0.347 0.583) 5.052 15.304 ( 1.353 1.039 -3.581) 3.966 15.304 ( -1.353 1.039 3.581) 3.966 15.860 ( 0.264 -0.139 -2.543) 2.561 15.860 ( -0.264 -0.139 2.543) 2.561 15.977 ( 2.135 2.970 -6.392) 7.365 15.977 ( -2.135 2.970 6.392) 7.365 16.304 ( -0.398 2.115 -1.614) 2.690 16.304 ( 0.398 2.115 1.614) 2.690 16.494 ( -1.326 4.089 -1.663) 4.609 16.494 ( 1.326 4.089 1.663) 4.609 16.974 ( 1.262 0.363 -2.936) 3.217 16.974 ( -1.262 0.363 2.936) 3.217 17.230 ( -1.752 -2.262 -2.462) 3.775 17.230 ( 1.752 -2.262 2.462) 3.775 18.059 ( -2.328 -4.921 -2.327) 5.920 18.059 ( 2.328 -4.921 2.327) 5.920 18.300 ( -1.259 -4.605 -2.927) 5.600 18.300 ( 1.259 -4.605 2.927) 5.600 21.644 ( -0.335 1.931 -1.117) 2.256 21.644 ( 0.335 1.931 1.117) 2.256 21.807 ( -1.331 1.566 -0.224) 2.067 21.807 ( 1.331 1.566 0.224) 2.067 27.549 ( -2.849 1.432 -3.009) 4.384 27.549 ( 2.849 1.432 3.009) 4.384 27.627 ( -4.227 0.927 -3.470) 5.547 27.627 ( 4.227 0.927 3.470) 5.547 29.251 ( -0.290 -0.719 -0.093) 0.780 29.251 ( 0.290 -0.719 0.093) 0.780 29.329 ( -0.546 0.744 -0.277) 0.964 29.329 ( 0.546 0.744 0.277) 0.964 30.313 ( -0.553 -0.259 -2.732) 2.800 30.313 ( 0.553 -0.259 2.732) 2.800 30.417 ( -2.648 -0.535 -2.048) 3.390 30.417 ( 2.648 -0.535 2.048) 3.390 31.713 ( 1.017 1.032 -1.155) 1.853 31.713 ( -1.017 1.032 1.155) 1.853 31.830 ( 1.230 -0.698 -3.648) 3.913 31.830 ( -1.230 -0.698 3.648) 3.913 32.347 ( -1.499 1.598 -4.159) 4.701 32.347 ( 1.499 1.598 4.159) 4.701 32.560 ( 4.590 -2.002 -7.397) 8.933 32.560 ( -4.590 -2.002 7.397) 8.933 33.111 ( 0.473 5.679 -3.460) 6.667 33.111 ( -0.473 5.679 3.460) 6.667 33.783 ( 0.875 5.562 -3.364) 6.558 33.783 ( -0.875 5.562 3.364) 6.558 34.176 ( 0.631 -5.679 -5.294) 7.790 34.176 ( -0.631 -5.679 5.294) 7.790 34.674 ( 0.655 -6.340 -5.054) 8.134 34.674 ( -0.655 -6.340 5.054) 8.134 ======================= Grid point 171 (77/88) ======================= q-point: ( 0.00 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 68 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.654 ( -3.696 13.106 -11.770) 17.999 1.654 ( 3.696 13.106 11.770) 17.999 1.956 ( -6.445 23.516 -16.749) 29.582 1.956 ( 6.445 23.516 16.749) 29.582 2.343 ( 0.730 -4.798 -4.777) 6.810 2.343 ( -0.730 -4.798 4.777) 6.810 2.670 ( -1.228 5.822 -9.986) 11.624 2.670 ( 1.228 5.822 9.986) 11.624 2.927 ( 2.000 4.418 -4.840) 6.851 2.927 ( -2.000 4.418 4.840) 6.851 3.247 ( -6.202 -0.991 -4.177) 7.543 3.247 ( 6.202 -0.991 4.177) 7.543 3.298 ( 3.764 -8.112 -6.483) 11.045 3.298 ( -3.764 -8.112 6.483) 11.045 3.443 ( 3.476 2.670 -3.787) 5.792 3.443 ( -3.476 2.670 3.787) 5.792 3.693 ( 0.563 -0.057 -6.499) 6.524 3.693 ( -0.563 -0.057 6.499) 6.524 3.865 ( 0.597 -0.063 -2.995) 3.055 3.865 ( -0.597 -0.063 2.995) 3.055 4.058 ( -1.480 1.140 -9.698) 9.877 4.058 ( 1.480 1.140 9.698) 9.877 4.327 ( -3.191 -5.457 -2.433) 6.773 4.327 ( 3.191 -5.457 2.433) 6.773 4.560 ( -3.196 2.673 -2.052) 4.645 4.560 ( 3.196 2.673 2.052) 4.645 4.760 ( -1.812 -2.953 -3.040) 4.609 4.760 ( 1.812 -2.953 3.040) 4.609 5.012 ( -3.889 -6.116 -0.068) 7.249 5.012 ( 3.889 -6.116 0.068) 7.249 5.147 ( 0.639 -2.188 -4.261) 4.832 5.147 ( -0.639 -2.188 4.261) 4.832 5.448 ( 0.632 11.946 -6.900) 13.810 5.448 ( -0.632 11.946 6.900) 13.810 5.715 ( 0.518 4.372 -3.192) 5.438 5.715 ( -0.518 4.372 3.192) 5.438 6.056 ( -1.695 5.247 0.049) 5.515 6.056 ( 1.695 5.247 -0.049) 5.515 6.358 ( 6.824 -10.537 -5.903) 13.872 6.358 ( -6.824 -10.537 5.903) 13.872 6.537 ( -1.574 5.476 -1.306) 5.845 6.537 ( 1.574 5.476 1.306) 5.845 6.946 ( 0.520 3.220 -4.959) 5.935 6.946 ( -0.520 3.220 4.959) 5.935 7.606 ( -0.600 -4.728 -5.164) 7.027 7.606 ( 0.600 -4.728 5.164) 7.027 7.938 ( 2.218 -14.680 -7.620) 16.688 7.938 ( -2.218 -14.680 7.620) 16.688 8.854 ( 1.778 0.735 -4.411) 4.812 8.854 ( -1.778 0.735 4.411) 4.812 9.078 ( -1.989 -6.228 -2.356) 6.950 9.078 ( 1.989 -6.228 2.356) 6.950 9.144 ( -9.376 9.782 -2.479) 13.775 9.144 ( 9.376 9.782 2.479) 13.775 9.624 ( -2.417 -5.432 -5.426) 8.049 9.624 ( 2.417 -5.432 5.426) 8.049 9.797 ( -2.410 -3.028 -4.541) 5.966 9.797 ( 2.410 -3.028 4.541) 5.966 9.958 ( -6.414 -8.452 -7.446) 12.962 9.958 ( 6.414 -8.452 7.446) 12.962 10.451 ( 3.869 -0.916 -4.413) 5.940 10.451 ( -3.869 -0.916 4.413) 5.940 10.791 ( -2.573 -2.077 -4.391) 5.497 10.791 ( 2.573 -2.077 4.391) 5.497 11.129 ( -1.126 -3.558 -4.873) 6.138 11.129 ( 1.126 -3.558 4.873) 6.138 11.299 ( 1.680 0.775 -3.489) 3.949 11.299 ( -1.680 0.775 3.489) 3.949 11.773 ( -2.138 -2.957 -0.367) 3.667 11.773 ( 2.138 -2.957 0.367) 3.667 12.056 ( -0.922 -2.258 -1.269) 2.749 12.056 ( 0.922 -2.258 1.269) 2.749 12.899 ( 2.321 8.439 -2.744) 9.172 12.899 ( -2.321 8.439 2.744) 9.172 13.013 ( -1.114 5.098 -0.881) 5.292 13.013 ( 1.114 5.098 0.881) 5.292 14.415 ( -0.518 0.387 -2.540) 2.621 14.415 ( 0.518 0.387 2.540) 2.621 14.513 ( 1.330 3.368 -3.213) 4.841 14.513 ( -1.330 3.368 3.213) 4.841 15.138 ( -0.890 -4.074 -4.346) 6.023 15.138 ( 0.890 -4.074 4.346) 6.023 15.671 ( 1.534 0.060 -3.668) 3.976 15.671 ( -1.534 0.060 3.668) 3.976 15.889 ( -0.539 1.889 -1.704) 2.601 15.889 ( 0.539 1.889 1.704) 2.601 16.095 ( 0.954 8.682 -3.776) 9.515 16.095 ( -0.954 8.682 3.776) 9.515 16.308 ( -1.111 4.708 -2.722) 5.551 16.308 ( 1.111 4.708 2.722) 5.551 16.575 ( -5.711 -0.898 -2.188) 6.182 16.575 ( 5.711 -0.898 2.188) 6.182 16.906 ( -3.503 -0.838 -1.087) 3.763 16.906 ( 3.503 -0.838 1.087) 3.763 17.027 ( -2.699 -2.424 -1.324) 3.862 17.027 ( 2.699 -2.424 1.324) 3.862 18.024 ( 2.136 -0.209 -4.949) 5.394 18.024 ( -2.136 -0.209 4.949) 5.394 18.360 ( -0.202 -7.223 -2.506) 7.648 18.360 ( 0.202 -7.223 2.506) 7.648 21.755 ( 1.020 7.222 -1.901) 7.538 21.755 ( -1.020 7.222 1.901) 7.538 22.078 ( -0.596 -0.185 -1.631) 1.746 22.078 ( 0.596 -0.185 1.631) 1.746 27.794 ( -0.516 -0.342 -1.276) 1.418 27.794 ( 0.516 -0.342 1.276) 1.418 28.311 ( -0.371 1.383 -5.956) 6.126 28.311 ( 0.371 1.383 5.956) 6.126 29.193 ( 0.100 -0.679 -0.448) 0.820 29.193 ( -0.100 -0.679 0.448) 0.820 29.502 ( -0.075 1.163 -2.704) 2.944 29.502 ( 0.075 1.163 2.704) 2.944 30.395 ( -0.085 -0.470 -3.051) 3.088 30.395 ( 0.085 -0.470 3.051) 3.088 30.817 ( 0.214 1.368 -0.761) 1.580 30.817 ( -0.214 1.368 0.761) 1.580 31.437 ( 0.680 2.139 -3.062) 3.797 31.437 ( -0.680 2.139 3.062) 3.797 31.736 ( 0.274 -3.420 -2.635) 4.326 31.736 ( -0.274 -3.420 2.635) 4.326 31.988 ( -1.734 0.937 -2.668) 3.317 31.988 ( 1.734 0.937 2.668) 3.317 32.052 ( -6.876 -0.519 -1.234) 7.005 32.052 ( 6.876 -0.519 1.234) 7.005 32.677 ( -1.569 0.199 -3.533) 3.871 32.677 ( 1.569 0.199 3.533) 3.871 33.008 ( -1.746 -9.091 -5.391) 10.713 33.008 ( 1.746 -9.091 5.391) 10.713 34.612 ( 0.671 3.432 -2.923) 4.558 34.612 ( -0.671 3.432 2.923) 4.558 34.728 ( 0.264 2.958 -6.508) 7.153 34.728 ( -0.264 2.958 6.508) 7.153 ======================= Grid point 173 (78/88) ======================= q-point: ( 0.10 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.583 ( 6.102 15.845 -10.882) 20.167 1.785 ( 2.253 21.165 -12.080) 24.473 1.883 ( 10.941 10.257 7.644) 16.833 2.243 ( 7.174 14.168 12.745) 20.362 2.371 ( 5.430 -1.630 1.221) 5.799 2.426 ( 5.073 -0.306 2.529) 5.677 2.604 ( 3.972 -3.910 -10.151) 11.580 2.861 ( 10.165 3.011 -2.130) 10.813 2.943 ( 2.501 -1.561 -2.695) 3.994 2.987 ( 7.308 10.082 -1.984) 12.610 3.212 ( 7.715 3.977 -1.927) 8.891 3.280 ( 0.134 -8.969 1.178) 9.047 3.363 ( 4.950 -4.348 -2.382) 7.006 3.404 ( 1.215 2.597 0.361) 2.890 3.466 ( 9.095 -4.735 2.968) 10.675 3.535 ( 9.753 13.651 -2.745) 17.001 3.664 ( 0.677 -2.935 -3.288) 4.459 3.758 ( 2.789 -1.216 3.429) 4.584 3.829 ( -2.335 3.369 0.339) 4.113 3.872 ( 3.719 1.841 -0.372) 4.166 4.050 ( 4.581 -1.956 -4.692) 6.843 4.180 ( -1.032 1.674 3.093) 3.665 4.284 ( 4.302 -2.028 6.870) 8.356 4.349 ( -1.982 -7.483 4.174) 8.795 4.516 ( -1.043 9.455 1.402) 9.615 4.650 ( 4.026 0.748 -5.495) 6.853 4.716 ( 0.814 -1.822 2.291) 3.038 4.848 ( 5.236 -2.600 -1.390) 6.009 4.951 ( -2.087 -6.107 0.092) 6.454 5.032 ( -0.636 -7.795 -0.370) 7.829 5.180 ( -0.701 3.159 2.104) 3.860 5.206 ( 6.068 -4.895 -0.783) 7.835 5.449 ( 2.802 12.708 1.721) 13.127 5.502 ( 2.107 8.709 0.375) 8.968 5.637 ( -1.718 5.156 -1.520) 5.643 5.815 ( 5.457 -2.063 -2.756) 6.452 5.974 ( -6.686 2.960 2.627) 7.770 6.124 ( 3.501 3.327 1.310) 5.004 6.281 ( -5.559 -11.172 6.016) 13.853 6.445 ( 4.112 2.342 -5.542) 7.287 6.467 ( 1.201 -3.276 -1.581) 3.831 6.607 ( 3.881 4.220 -2.229) 6.152 6.878 ( -3.767 2.501 -1.876) 4.895 6.976 ( -1.052 3.093 4.428) 5.502 7.523 ( -3.417 -3.659 -6.238) 7.998 7.614 ( -3.376 -5.018 3.285) 6.882 7.825 ( -7.721 -12.155 -0.126) 14.400 7.941 ( -3.641 -15.387 1.093) 15.850 8.695 ( -13.622 2.252 -0.457) 13.815 8.795 ( -7.433 0.164 1.871) 7.666 8.945 ( -7.384 3.360 0.017) 8.112 9.055 ( 1.959 -0.770 -2.225) 3.063 9.139 ( -0.362 -3.381 1.344) 3.656 9.370 ( 6.151 2.317 4.638) 8.045 9.471 ( -2.733 -0.960 -4.849) 5.648 9.683 ( -2.116 -3.541 -1.862) 4.526 9.730 ( -3.681 -9.560 -6.607) 12.190 9.792 ( 1.985 -8.485 0.977) 8.769 9.900 ( 0.220 6.794 2.986) 7.425 10.118 ( 5.447 -10.891 1.898) 12.324 10.408 ( -3.799 0.109 4.698) 6.043 10.478 ( 2.024 -4.085 -2.431) 5.167 10.732 ( -0.115 -0.948 -2.328) 2.516 10.841 ( -0.113 -2.986 0.810) 3.096 11.042 ( -4.776 0.280 0.899) 4.868 11.153 ( -2.097 -4.644 5.528) 7.518 11.317 ( 3.199 -0.228 -5.704) 6.544 11.371 ( 6.132 -0.859 -1.735) 6.430 11.713 ( -3.079 -2.619 -1.361) 4.266 11.776 ( -2.291 -5.035 0.114) 5.533 12.042 ( 1.862 -0.213 1.026) 2.137 12.123 ( 2.604 -1.662 0.678) 3.162 12.884 ( -0.356 9.684 1.536) 9.811 12.946 ( 4.353 7.403 -3.164) 9.152 13.004 ( 0.748 5.717 -0.023) 5.766 13.053 ( 2.394 4.876 0.841) 5.496 14.367 ( -2.334 0.811 -1.633) 2.962 14.406 ( -3.291 -0.129 2.649) 4.227 14.490 ( -1.265 4.691 -1.626) 5.124 14.528 ( 0.746 1.888 0.206) 2.040 15.093 ( -0.671 -1.332 -2.791) 3.164 15.181 ( -0.086 -6.415 4.462) 7.815 15.608 ( -3.961 1.155 1.513) 4.394 15.695 ( -1.115 -2.837 0.716) 3.132 15.864 ( 0.223 6.021 -0.596) 6.055 15.933 ( 1.800 1.823 -0.193) 2.569 16.059 ( -2.055 8.232 0.338) 8.491 16.101 ( -0.046 7.054 -0.152) 7.056 16.251 ( -2.798 4.498 -1.892) 5.625 16.341 ( 0.761 3.931 2.079) 4.512 16.487 ( -2.626 2.383 1.191) 3.741 16.636 ( -3.013 1.251 1.304) 3.513 16.868 ( 2.583 -1.795 -0.478) 3.181 16.979 ( 1.564 -3.115 -3.500) 4.940 16.992 ( 1.742 -2.269 0.053) 2.861 17.114 ( 3.689 -4.297 4.200) 7.051 17.976 ( -2.793 -1.325 0.990) 3.246 18.042 ( -0.023 -1.574 -1.664) 2.291 18.323 ( -2.495 -6.621 1.548) 7.243 18.384 ( -0.413 -6.399 1.540) 6.595 21.724 ( -2.263 7.527 -0.604) 7.882 21.757 ( 0.476 6.858 -1.655) 7.071 22.013 ( -4.659 0.209 -1.432) 4.879 22.065 ( -2.705 -0.693 1.501) 3.171 27.732 ( -2.908 0.555 -5.173) 5.960 27.756 ( -2.827 -1.010 -5.289) 6.082 28.217 ( -7.428 3.618 3.017) 8.796 28.285 ( -9.800 1.480 9.502) 13.730 29.192 ( 0.364 -0.517 -0.701) 0.943 29.199 ( 0.576 -0.865 -0.423) 1.122 29.462 ( -2.420 1.703 -0.472) 2.996 29.489 ( -3.750 0.752 2.785) 4.731 30.317 ( -3.280 0.700 -3.914) 5.154 30.344 ( -4.429 -0.366 -2.128) 4.928 30.762 ( -5.107 1.969 -1.121) 5.587 30.784 ( -3.401 0.996 0.871) 3.650 31.426 ( 1.205 2.286 0.116) 2.587 31.468 ( 2.081 1.556 0.276) 2.613 31.759 ( 3.762 -2.951 -1.643) 5.056 31.787 ( 2.878 -3.878 2.025) 5.237 31.965 ( 2.073 2.660 -1.266) 3.602 32.037 ( 3.503 -0.545 1.653) 3.912 32.127 ( 8.155 3.418 0.441) 8.854 32.355 ( 18.653 -7.032 8.179) 21.547 32.655 ( 2.880 1.594 -5.330) 6.264 32.762 ( 6.653 -2.330 -2.073) 7.348 33.037 ( 8.571 -5.500 -3.375) 10.729 33.165 ( 10.895 -9.738 2.361) 14.802 34.508 ( -7.030 5.755 -2.608) 9.453 34.582 ( -3.373 1.120 -3.316) 4.861 34.656 ( -4.701 4.627 0.500) 6.614 34.771 ( -1.829 -1.253 6.824) 7.175 ======================= Grid point 174 (79/88) ======================= q-point: ( 0.20 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 124 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.732 ( 15.521 17.464 -3.498) 23.625 1.854 ( 12.816 12.466 -7.851) 19.527 2.158 ( 12.348 5.972 4.176) 14.338 2.376 ( 2.125 0.826 4.930) 5.432 2.501 ( 2.867 3.713 -2.762) 5.444 2.533 ( 5.718 2.450 7.214) 9.526 2.669 ( 9.752 -8.222 -6.017) 14.104 2.965 ( 6.688 -4.835 -5.372) 9.847 3.042 ( 8.047 4.375 -0.650) 9.182 3.096 ( 3.428 3.491 0.081) 4.893 3.293 ( 3.032 -8.814 -2.770) 9.724 3.385 ( 0.948 -1.830 -0.221) 2.073 3.420 ( 4.570 3.628 -1.957) 6.154 3.520 ( 10.349 3.281 1.042) 10.906 3.606 ( 0.021 3.393 -2.276) 4.086 3.694 ( 11.506 3.099 2.083) 12.097 3.789 ( 16.935 16.274 -5.106) 24.036 3.831 ( 3.454 1.920 0.031) 3.952 3.901 ( 7.085 0.571 4.015) 8.163 3.952 ( 4.320 -0.797 -1.997) 4.825 4.125 ( 6.458 -0.672 -0.540) 6.515 4.250 ( 6.086 3.367 6.394) 9.447 4.371 ( 1.987 -5.576 7.665) 9.684 4.436 ( 3.118 8.362 -2.258) 9.205 4.525 ( 1.053 8.507 7.472) 11.371 4.633 ( 0.370 -2.879 -4.727) 5.547 4.813 ( 7.158 -1.826 -0.632) 7.415 4.902 ( 0.252 -3.064 -1.037) 3.244 4.991 ( 7.779 -2.676 0.966) 8.283 5.055 ( 2.812 -6.167 1.364) 6.913 5.136 ( -4.893 6.145 4.281) 8.946 5.266 ( 0.996 -0.362 -5.324) 5.428 5.446 ( -3.309 5.370 2.556) 6.806 5.585 ( 4.534 3.151 -2.944) 6.258 5.658 ( 5.639 2.431 -2.806) 6.751 5.857 ( 0.260 -7.346 -3.400) 8.099 5.864 ( -5.334 1.964 2.821) 6.346 6.142 ( -3.278 -6.681 2.560) 7.870 6.288 ( 2.438 -2.215 2.096) 3.904 6.453 ( 2.120 9.025 0.683) 9.295 6.557 ( 7.185 -10.393 -5.671) 13.849 6.647 ( 1.738 5.459 -1.549) 5.935 6.797 ( -2.067 0.135 -2.418) 3.183 6.978 ( -2.954 1.320 6.097) 6.903 7.388 ( -5.579 -2.536 -6.065) 8.622 7.526 ( -7.116 -2.960 0.094) 7.707 7.679 ( -7.602 -11.428 1.671) 13.827 7.829 ( -8.651 -13.587 1.382) 16.166 8.430 ( -12.632 4.683 -0.572) 13.484 8.635 ( -10.509 -2.140 4.149) 11.499 8.838 ( -5.431 1.718 1.905) 6.006 9.065 ( -6.281 -7.215 1.343) 9.659 9.106 ( 2.615 6.162 -2.558) 7.166 9.317 ( -3.180 -2.442 -0.718) 4.073 9.550 ( 1.615 -2.763 -1.934) 3.740 9.605 ( -3.301 -7.234 -2.738) 8.410 9.675 ( 3.126 -2.096 0.296) 3.776 9.807 ( -2.917 1.113 0.073) 3.123 9.939 ( 3.298 1.685 1.981) 4.200 10.183 ( 2.260 -9.375 -2.901) 10.070 10.393 ( -0.905 -1.005 2.487) 2.831 10.499 ( 1.510 -6.267 -1.169) 6.552 10.737 ( 0.363 -2.930 1.114) 3.155 10.833 ( -0.376 -3.926 -0.513) 3.977 10.948 ( -6.587 5.270 4.245) 9.444 11.168 ( -2.703 -4.720 7.202) 9.025 11.300 ( 0.460 0.542 -6.853) 6.890 11.461 ( 5.598 -3.829 -4.721) 8.264 11.642 ( -2.994 -2.590 -2.050) 4.459 11.711 ( -4.227 -5.822 0.767) 7.236 12.104 ( 3.220 1.013 -0.597) 3.428 12.149 ( -0.265 0.324 0.988) 1.073 12.910 ( 1.667 10.038 1.639) 10.307 13.004 ( 3.895 8.061 -2.743) 9.363 13.039 ( 2.979 5.221 -0.588) 6.040 13.118 ( 3.489 4.677 1.407) 6.003 14.316 ( -2.217 1.007 0.183) 2.442 14.361 ( -3.146 0.012 3.125) 4.434 14.447 ( -1.531 4.512 -2.104) 5.209 14.535 ( 0.028 0.476 -0.679) 0.830 15.077 ( 0.693 0.522 -1.154) 1.443 15.206 ( -0.299 -6.204 3.659) 7.209 15.549 ( -3.276 1.116 0.408) 3.485 15.647 ( -4.371 -3.447 0.511) 5.590 15.861 ( -0.624 10.282 -0.912) 10.341 15.950 ( -0.284 4.646 1.233) 4.815 16.034 ( -0.071 4.869 -0.651) 4.913 16.109 ( -0.379 5.267 1.248) 5.426 16.201 ( -0.359 1.806 -0.789) 2.003 16.369 ( 0.396 1.150 1.663) 2.060 16.471 ( -0.233 3.965 -0.264) 3.980 16.576 ( -1.334 5.914 0.073) 6.063 16.910 ( 2.028 -3.008 -2.200) 4.243 16.989 ( 0.441 1.726 2.721) 3.252 17.022 ( 2.736 -6.814 -4.916) 8.837 17.209 ( 2.295 -5.783 4.454) 7.652 17.934 ( -1.797 -2.483 -0.838) 3.177 18.016 ( -0.961 -4.149 -0.721) 4.319 18.278 ( -3.745 -5.000 1.819) 6.506 18.365 ( -2.327 -6.196 0.314) 6.626 21.673 ( -1.845 7.122 -1.332) 7.477 21.756 ( 0.810 6.080 -1.613) 6.342 21.904 ( -5.462 0.469 -0.645) 5.519 22.016 ( -3.426 -1.259 1.298) 3.874 27.626 ( -3.828 0.973 -4.756) 6.182 27.639 ( -3.880 -0.045 -5.754) 6.940 28.089 ( -9.600 3.249 5.334) 11.453 28.114 ( -13.334 3.713 6.226) 15.177 29.196 ( 0.730 -0.399 -0.845) 1.185 29.208 ( 0.757 -1.016 -0.560) 1.385 29.414 ( -2.487 1.327 0.247) 2.830 29.429 ( -3.388 0.845 1.071) 3.653 30.241 ( -1.832 1.104 -2.783) 3.510 30.276 ( -0.649 -0.613 -1.860) 2.063 30.637 ( -6.721 2.528 -0.459) 7.196 30.709 ( -5.241 -0.765 0.923) 5.377 31.488 ( 4.511 2.451 0.896) 5.211 31.524 ( 3.955 1.648 -0.757) 4.351 31.814 ( 2.983 -2.449 -1.390) 4.102 31.858 ( 2.351 -4.459 0.673) 5.085 32.049 ( 6.327 2.253 1.585) 6.901 32.142 ( 4.927 -2.232 4.246) 6.876 32.276 ( 7.710 8.067 -1.105) 11.213 32.596 ( 2.908 -3.744 -5.538) 7.290 32.809 ( 11.627 -0.599 5.827) 13.019 32.921 ( 13.160 -3.579 -0.973) 13.673 33.242 ( 13.511 -3.695 -1.065) 14.048 33.423 ( 14.660 -7.922 -0.038) 16.663 34.337 ( -8.315 5.959 -2.642) 10.566 34.461 ( -6.307 -0.248 -3.445) 7.190 34.559 ( -5.744 3.693 1.055) 6.910 34.760 ( -4.222 -5.677 5.502) 8.963 ======================= Grid point 175 (80/88) ======================= q-point: ( 0.30 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.065 ( 16.742 9.604 4.000) 19.712 2.111 ( 18.891 6.828 -4.720) 20.635 2.369 ( 7.854 3.401 -1.338) 8.663 2.448 ( 5.834 -2.161 -0.061) 6.221 2.564 ( 4.638 6.470 2.542) 8.356 2.656 ( 4.612 -1.438 0.970) 4.927 2.863 ( 11.410 -3.222 0.375) 11.862 3.053 ( 2.877 -0.753 -0.255) 2.985 3.103 ( 0.593 3.108 1.215) 3.389 3.145 ( -1.972 -1.914 1.442) 3.103 3.361 ( 1.907 -3.435 -5.193) 6.512 3.370 ( 3.508 -5.486 1.566) 6.697 3.502 ( 3.783 8.485 1.619) 9.430 3.540 ( 1.391 10.091 -1.876) 10.357 3.727 ( 7.231 -1.968 -0.225) 7.497 3.823 ( -1.912 3.966 2.216) 4.929 3.872 ( 5.998 -0.275 0.019) 6.004 3.934 ( 1.468 0.791 -2.815) 3.272 4.054 ( 5.333 2.247 1.521) 5.984 4.156 ( 7.610 4.060 5.001) 9.970 4.288 ( 1.501 2.228 -1.660) 3.158 4.337 ( 10.495 2.226 1.740) 10.868 4.396 ( -0.108 11.398 -2.529) 11.676 4.537 ( -2.675 3.099 3.605) 5.455 4.618 ( 9.228 -0.117 5.205) 10.595 4.730 ( 11.052 2.544 -0.623) 11.358 4.868 ( -1.152 -1.666 -4.242) 4.701 4.932 ( 2.823 7.730 2.895) 8.724 5.098 ( 0.922 3.636 4.080) 5.543 5.138 ( 7.801 -6.658 -0.204) 10.258 5.222 ( 3.430 -2.751 -4.027) 5.963 5.246 ( 10.549 8.113 1.595) 13.404 5.429 ( 2.295 -6.618 -2.938) 7.596 5.570 ( -2.044 0.771 -6.193) 6.567 5.731 ( 4.542 -1.932 -6.988) 8.555 5.776 ( -4.572 -3.250 4.177) 6.995 5.842 ( -1.464 2.136 -1.170) 2.842 6.119 ( -0.436 -7.463 1.316) 7.591 6.308 ( -1.149 -1.455 -0.957) 2.086 6.509 ( 0.910 1.134 2.295) 2.716 6.607 ( 3.320 -1.718 -6.079) 7.136 6.677 ( 2.592 1.235 -0.049) 2.872 6.783 ( 1.549 -1.115 -0.107) 1.911 6.955 ( -3.904 0.034 4.401) 5.883 7.254 ( -3.979 -2.537 -3.600) 5.935 7.375 ( -7.601 -1.739 -1.223) 7.893 7.571 ( -5.713 -11.600 2.422) 13.155 7.663 ( -9.126 -11.274 1.232) 14.557 8.250 ( -6.495 6.452 2.433) 9.473 8.496 ( -7.875 -3.751 5.122) 10.116 8.751 ( -5.373 1.462 1.921) 5.891 8.910 ( -7.208 -4.019 -3.669) 9.032 9.158 ( 3.088 4.713 -0.501) 5.657 9.291 ( -1.017 0.128 2.551) 2.749 9.493 ( -3.205 -4.702 -1.736) 5.949 9.552 ( -1.517 -9.236 -1.148) 9.430 9.741 ( 0.988 3.963 -3.912) 5.655 9.744 ( -2.335 1.109 4.425) 5.125 10.035 ( 4.810 -1.643 1.632) 5.338 10.186 ( 1.254 -7.520 -3.495) 8.387 10.396 ( 0.589 -1.373 -1.284) 1.970 10.518 ( 2.012 -7.982 -2.029) 8.478 10.741 ( -1.639 -4.297 1.742) 4.918 10.801 ( -1.639 -5.251 -2.320) 5.970 10.887 ( -5.283 4.795 8.415) 11.032 11.125 ( -6.235 -3.127 2.935) 7.567 11.267 ( 0.410 1.983 -0.938) 2.232 11.502 ( 2.777 -4.835 -5.786) 8.035 11.580 ( -1.543 -1.991 -2.305) 3.414 11.642 ( -3.715 -5.344 0.808) 6.558 12.124 ( -0.127 2.260 -0.755) 2.387 12.155 ( 0.535 -0.034 -0.274) 0.602 12.963 ( 2.249 9.583 1.854) 10.017 13.046 ( 2.077 9.200 -1.287) 9.519 13.101 ( 4.586 4.790 -2.106) 6.958 13.192 ( 2.541 4.059 2.024) 5.199 14.292 ( -1.220 1.350 2.065) 2.752 14.348 ( -1.029 0.126 3.768) 3.908 14.405 ( -1.092 3.491 -2.412) 4.382 14.519 ( -0.536 -0.480 -2.127) 2.246 15.105 ( 2.745 1.526 0.036) 3.141 15.231 ( 0.712 -4.416 2.118) 4.949 15.481 ( -4.217 0.845 -0.143) 4.303 15.537 ( -6.428 -0.578 -1.584) 6.645 15.841 ( 0.257 9.218 -1.681) 9.374 15.952 ( -1.087 4.857 2.681) 5.653 16.043 ( 1.067 2.775 -1.150) 3.188 16.082 ( -2.771 2.983 1.398) 4.305 16.235 ( 3.238 1.053 -0.139) 3.408 16.369 ( -1.163 -1.401 0.707) 1.953 16.480 ( 1.668 6.092 -0.020) 6.316 16.594 ( 2.055 4.954 -0.482) 5.385 16.927 ( 1.949 -1.610 -2.347) 3.450 17.012 ( 0.233 1.565 0.975) 1.859 17.042 ( 2.191 -4.510 -0.860) 5.088 17.255 ( -0.035 -5.033 1.871) 5.370 17.904 ( -0.411 -2.963 -0.729) 3.079 18.002 ( -0.521 -6.516 -0.049) 6.537 18.218 ( -3.517 -3.852 1.336) 5.384 18.307 ( -3.068 -6.369 -1.442) 7.215 21.646 ( -0.180 5.480 -0.708) 5.528 21.767 ( 1.525 4.877 -1.153) 5.238 21.809 ( -4.370 0.506 0.045) 4.399 21.958 ( -3.515 -1.113 0.809) 3.775 27.539 ( -2.260 1.256 -1.353) 2.918 27.552 ( -2.095 0.467 -1.606) 2.680 27.911 ( -10.863 3.800 1.355) 11.588 27.937 ( -9.335 1.694 1.825) 9.661 29.207 ( 0.987 -0.382 -0.535) 1.186 29.220 ( 0.804 -0.981 -0.215) 1.286 29.375 ( -1.733 1.068 0.141) 2.041 29.386 ( -1.897 0.463 0.469) 2.008 30.218 ( 0.678 1.046 -0.373) 1.301 30.271 ( 0.830 -1.390 -0.776) 1.796 30.518 ( -5.595 2.250 0.240) 6.035 30.606 ( -5.944 -1.740 0.146) 6.195 31.591 ( 4.834 2.278 1.790) 5.636 31.602 ( 5.534 1.839 -2.312) 6.273 31.839 ( 0.374 -1.942 -0.629) 2.075 31.877 ( -0.303 -3.037 -0.116) 3.054 32.190 ( 5.796 0.910 3.250) 6.707 32.287 ( 5.341 -3.833 7.461) 9.944 32.393 ( 6.793 7.533 -4.419) 11.065 32.563 ( 0.219 -0.760 -8.055) 8.093 33.015 ( 8.668 2.699 2.346) 9.377 33.175 ( 9.862 2.865 2.744) 10.630 33.490 ( 12.712 -4.420 0.015) 13.459 33.685 ( 12.394 -5.199 0.629) 13.455 34.168 ( -7.301 3.389 -2.807) 8.525 34.307 ( -7.125 -1.717 -2.852) 7.865 34.480 ( -3.023 1.227 0.998) 3.412 34.704 ( -4.932 -8.131 2.745) 9.899 ======================= Grid point 176 (81/88) ======================= q-point: ( 0.40 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 124 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.339 ( 11.474 1.419 -1.091) 11.613 2.425 ( 10.517 6.743 4.786) 13.378 2.489 ( 6.917 1.579 -0.540) 7.115 2.584 ( 5.966 0.899 1.344) 6.181 2.698 ( 8.507 -1.184 -3.783) 9.386 2.769 ( 7.602 2.275 1.654) 8.106 3.007 ( 0.717 3.007 -0.973) 3.240 3.038 ( -4.366 -0.203 3.155) 5.390 3.065 ( -2.404 0.258 3.528) 4.277 3.177 ( 6.699 1.989 -2.746) 7.508 3.288 ( -3.345 -1.564 -2.021) 4.210 3.449 ( -4.174 2.970 0.980) 5.216 3.536 ( 5.764 5.088 -2.384) 8.050 3.638 ( 0.783 6.272 6.121) 8.799 3.754 ( -2.371 -0.876 0.824) 2.659 3.801 ( 0.173 -0.830 -2.126) 2.289 3.936 ( 5.285 1.190 -2.794) 6.095 4.036 ( 5.061 6.730 3.563) 9.143 4.091 ( -0.752 1.114 2.354) 2.711 4.219 ( 0.001 4.412 0.200) 4.417 4.256 ( -6.067 -2.072 2.466) 6.869 4.361 ( -2.027 1.069 1.718) 2.864 4.518 ( 8.171 1.264 0.333) 8.275 4.556 ( -0.973 -1.444 6.653) 6.877 4.636 ( -4.495 3.512 -1.158) 5.821 4.825 ( 1.078 -1.698 -9.114) 9.333 4.955 ( 11.755 10.552 -7.275) 17.391 5.033 ( 3.103 8.859 4.280) 10.317 5.166 ( 3.545 3.246 4.284) 6.438 5.252 ( 3.580 -1.712 -0.895) 4.068 5.357 ( 4.560 1.924 0.868) 5.025 5.372 ( 6.235 -0.063 -0.723) 6.277 5.490 ( 2.728 -1.900 -8.113) 8.767 5.550 ( 8.790 -1.808 -2.652) 9.358 5.704 ( -2.385 -4.937 3.595) 6.556 5.753 ( 0.311 -2.499 -5.469) 6.021 5.827 ( 1.340 3.212 1.091) 3.647 6.080 ( -5.449 -3.292 -1.116) 6.463 6.298 ( 1.516 -5.122 1.255) 5.487 6.462 ( -4.683 -9.557 -1.094) 10.699 6.666 ( 4.424 5.380 1.431) 7.111 6.738 ( 4.073 2.452 -0.456) 4.776 6.817 ( 0.997 -2.148 -1.523) 2.816 6.896 ( -4.135 0.403 1.506) 4.419 7.165 ( -4.299 -1.980 -0.662) 4.779 7.236 ( -5.957 -1.943 -1.715) 6.497 7.509 ( -2.154 -11.588 1.804) 11.924 7.543 ( -4.043 -10.062 0.991) 10.889 8.223 ( -0.329 5.554 5.922) 8.126 8.401 ( -5.131 -2.607 0.465) 5.774 8.681 ( -3.771 0.716 3.822) 5.417 8.766 ( -3.809 -2.857 -5.959) 7.628 9.211 ( 3.171 3.799 -1.174) 5.086 9.289 ( -2.634 1.059 4.385) 5.224 9.447 ( -0.812 -4.354 0.859) 4.512 9.517 ( -0.971 -7.833 -2.499) 8.280 9.707 ( -1.687 3.318 2.322) 4.386 9.741 ( -0.396 4.324 -2.301) 4.914 10.118 ( 2.082 -4.384 2.061) 5.273 10.182 ( 1.070 -7.369 -4.079) 8.490 10.422 ( 3.795 -0.647 -0.179) 3.854 10.546 ( 2.754 -7.934 -3.037) 8.931 10.701 ( -3.325 -4.578 1.538) 5.863 10.734 ( -4.672 -8.493 -1.043) 9.749 10.872 ( -1.597 2.051 5.569) 6.146 11.006 ( -6.029 -0.199 -1.028) 6.119 11.311 ( 1.832 1.763 5.788) 6.321 11.478 ( -0.093 -3.330 -6.706) 7.488 11.549 ( -0.103 -2.062 -1.877) 2.790 11.585 ( -2.756 -4.564 0.564) 5.361 12.120 ( 0.074 1.438 0.518) 1.530 12.151 ( -0.129 0.041 -1.496) 1.502 13.014 ( 1.707 9.120 1.658) 9.425 13.061 ( 0.554 9.022 -1.211) 9.120 13.172 ( 4.262 5.018 -1.764) 6.816 13.233 ( 0.117 4.121 1.934) 4.553 14.300 ( -0.136 1.779 3.165) 3.633 14.365 ( -0.405 3.766 -2.703) 4.653 14.379 ( 0.234 -1.188 4.059) 4.236 14.483 ( -1.001 -0.837 -3.549) 3.781 15.178 ( 4.556 1.583 0.576) 4.857 15.263 ( 1.711 -2.155 0.046) 2.751 15.390 ( -5.433 1.215 0.535) 5.592 15.409 ( -5.150 0.470 -1.958) 5.530 15.853 ( 1.885 5.727 -0.741) 6.075 15.939 ( -2.143 3.576 1.162) 4.328 16.040 ( -1.947 2.736 3.408) 4.785 16.055 ( 0.715 2.618 -3.315) 4.284 16.293 ( 2.686 0.712 -0.044) 2.779 16.351 ( -1.024 -0.610 0.349) 1.242 16.525 ( 2.389 4.884 1.147) 5.556 16.610 ( 0.327 3.251 -2.108) 3.888 16.955 ( 2.530 0.259 -1.271) 2.843 17.019 ( -0.648 2.462 1.011) 2.739 17.092 ( 2.926 -3.415 1.826) 4.854 17.238 ( -2.030 -3.679 -1.002) 4.319 17.910 ( 0.974 -3.991 0.745) 4.175 17.984 ( -1.308 -6.888 -0.742) 7.050 18.181 ( -1.438 -4.018 1.792) 4.628 18.240 ( -2.310 -6.100 -2.360) 6.937 21.654 ( 1.251 3.578 -0.106) 3.792 21.739 ( -3.218 1.033 0.144) 3.383 21.796 ( 2.273 3.160 -0.694) 3.954 21.898 ( -3.383 -0.083 0.426) 3.410 27.526 ( 0.566 1.344 1.852) 2.357 27.545 ( 1.149 0.389 2.086) 2.413 27.734 ( -7.459 2.951 -2.013) 8.270 27.775 ( -7.426 0.661 -1.973) 7.712 29.224 ( 1.004 -0.399 -0.177) 1.095 29.234 ( 0.550 -0.786 0.175) 0.975 29.350 ( -0.934 0.849 0.025) 1.263 29.359 ( -1.200 0.373 -0.027) 1.257 30.255 ( 2.465 0.444 1.603) 2.974 30.291 ( 1.614 -1.182 -0.222) 2.013 30.431 ( -3.767 1.165 0.253) 3.951 30.493 ( -5.480 -1.596 -1.075) 5.808 31.679 ( 4.418 1.718 -0.839) 4.814 31.698 ( 4.970 1.749 -0.356) 5.280 31.821 ( -1.865 -1.384 0.179) 2.329 31.854 ( -2.065 -1.743 0.339) 2.724 32.305 ( 3.361 1.671 4.301) 5.708 32.421 ( 2.519 -2.163 3.166) 4.588 32.454 ( 2.778 0.818 -2.473) 3.808 32.513 ( 1.596 -0.215 -6.299) 6.502 33.180 ( 5.897 8.173 4.237) 10.933 33.303 ( 3.410 10.010 -1.746) 10.719 33.707 ( 9.649 -4.337 1.158) 10.642 33.888 ( 7.809 -1.018 2.159) 8.166 34.020 ( -5.832 -2.335 -3.573) 7.227 34.161 ( -6.342 -2.663 -1.912) 7.140 34.471 ( 1.329 -2.841 0.966) 3.282 34.622 ( -4.890 -8.264 0.467) 9.613 ======================= Grid point 177 (82/88) ======================= q-point: (-0.50 0.33 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 66 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.489 ( 2.729 3.878 -2.059) 5.170 2.489 ( -2.729 3.878 2.059) 5.170 2.610 ( 0.974 0.993 -4.053) 4.285 2.610 ( -0.974 0.993 4.053) 4.285 2.830 ( 2.726 0.464 -1.178) 3.005 2.830 ( -2.726 0.464 1.178) 3.005 2.978 ( -7.368 -2.155 0.944) 7.735 2.978 ( 7.368 -2.155 -0.944) 7.735 3.164 ( -6.936 2.457 -2.476) 7.764 3.164 ( 6.936 2.457 2.476) 7.764 3.319 ( -6.335 6.591 -1.155) 9.214 3.319 ( 6.335 6.591 1.154) 9.214 3.616 ( 4.600 3.766 -5.765) 8.281 3.616 ( -4.600 3.766 5.765) 8.281 3.763 ( -1.585 -3.395 -0.866) 3.846 3.763 ( 1.585 -3.395 0.866) 3.846 4.060 ( -2.138 2.683 -2.643) 4.330 4.060 ( 2.138 2.683 2.643) 4.330 4.112 ( -4.443 3.679 -3.179) 6.587 4.112 ( 4.443 3.679 3.179) 6.587 4.299 ( 0.809 1.643 -4.164) 4.549 4.299 ( -0.809 1.643 4.164) 4.549 4.559 ( 1.828 1.338 -7.188) 7.536 4.559 ( -1.828 1.338 7.188) 7.536 4.725 ( -3.384 -2.197 -11.329) 12.026 4.725 ( 3.384 -2.197 11.329) 12.026 5.035 ( 3.382 10.732 -4.157) 11.996 5.035 ( -3.382 10.732 4.157) 11.996 5.264 ( -0.803 -1.893 -3.015) 3.649 5.264 ( 0.803 -1.893 3.015) 3.649 5.404 ( -1.034 6.426 -4.912) 8.155 5.404 ( 1.034 6.426 4.912) 8.155 5.560 ( -4.617 -7.688 1.088) 9.034 5.560 ( 4.617 -7.688 -1.088) 9.034 5.742 ( 0.223 0.139 -3.152) 3.163 5.742 ( -0.223 0.139 3.152) 3.163 5.922 ( -7.419 0.057 -0.869) 7.470 5.922 ( 7.419 0.057 0.869) 7.470 6.367 ( -3.349 -8.522 -2.436) 9.475 6.367 ( 3.349 -8.522 2.436) 9.475 6.764 ( -2.196 1.618 -4.939) 5.642 6.764 ( 2.196 1.618 4.939) 5.642 6.825 ( -0.933 2.078 -2.996) 3.763 6.825 ( 0.933 2.078 2.996) 3.763 7.137 ( -1.849 -2.451 -2.426) 3.913 7.137 ( 1.849 -2.451 2.426) 3.913 7.508 ( -0.205 -10.560 -0.887) 10.599 7.508 ( 0.205 -10.560 0.887) 10.599 8.300 ( -2.663 1.775 -5.950) 6.756 8.300 ( 2.663 1.775 5.950) 6.756 8.683 ( 0.202 -1.438 -6.445) 6.606 8.683 ( -0.202 -1.438 6.445) 6.606 9.257 ( 3.187 2.121 -3.675) 5.307 9.257 ( -3.187 2.121 3.675) 5.307 9.472 ( -0.722 -5.509 -3.995) 6.844 9.472 ( 0.722 -5.509 3.995) 6.844 9.713 ( 1.751 4.561 -5.993) 7.732 9.713 ( -1.751 4.561 5.993) 7.732 10.158 ( 0.118 -6.116 -4.072) 7.349 10.158 ( -0.118 -6.116 4.072) 7.349 10.526 ( -3.060 -2.994 -3.743) 5.687 10.526 ( 3.060 -2.994 3.743) 5.687 10.664 ( 0.407 -9.046 -0.958) 9.105 10.664 ( -0.407 -9.046 0.958) 9.105 10.911 ( -1.947 1.272 -3.274) 4.016 10.911 ( 1.947 1.272 3.274) 4.016 11.402 ( -1.348 -0.283 -8.250) 8.364 11.402 ( 1.348 -0.283 8.250) 8.364 11.551 ( 1.277 -3.495 -0.856) 3.819 11.551 ( -1.277 -3.495 0.856) 3.819 12.133 ( 0.489 0.504 -2.718) 2.808 12.133 ( -0.489 0.504 2.718) 2.808 13.049 ( -0.436 8.891 -1.697) 9.062 13.049 ( 0.436 8.891 1.697) 9.062 13.224 ( 1.849 4.687 -2.095) 5.456 13.224 ( -1.849 4.687 2.095) 5.456 14.329 ( -0.389 2.391 -3.549) 4.297 14.329 ( 0.389 2.391 3.549) 4.297 14.430 ( -0.954 -0.791 -4.770) 4.929 14.430 ( 0.954 -0.791 4.770) 4.929 15.270 ( -2.660 0.436 -1.040) 2.889 15.270 ( 2.660 0.436 1.040) 2.889 15.327 ( 0.794 0.666 -2.712) 2.903 15.327 ( -0.794 0.666 2.712) 2.903 15.894 ( -2.636 3.561 0.154) 4.433 15.894 ( 2.636 3.561 -0.154) 4.433 16.042 ( 1.089 2.883 -4.283) 5.276 16.042 ( -1.089 2.883 4.283) 5.276 16.331 ( 0.051 0.196 -1.108) 1.127 16.331 ( -0.051 0.196 1.108) 1.127 16.578 ( -1.668 3.315 -2.102) 4.265 16.578 ( 1.668 3.315 2.102) 4.265 16.996 ( -2.313 2.091 0.683) 3.192 16.996 ( 2.313 2.091 -0.683) 3.192 17.172 ( -2.670 -3.184 -3.072) 5.168 17.172 ( 2.670 -3.184 3.072) 5.168 17.945 ( -1.407 -5.419 -1.496) 5.795 17.945 ( 1.407 -5.419 1.496) 5.795 18.192 ( -0.725 -5.262 -2.364) 5.814 18.192 ( 0.725 -5.262 2.364) 5.814 21.687 ( -1.548 2.008 -0.506) 2.586 21.687 ( 1.548 2.008 0.506) 2.586 21.841 ( -2.396 1.476 0.128) 2.817 21.841 ( 2.396 1.476 -0.128) 2.817 27.580 ( -2.072 1.298 -1.708) 2.983 27.580 ( 2.072 1.298 1.708) 2.983 27.648 ( -2.638 0.992 -2.051) 3.486 27.648 ( 2.638 0.992 2.051) 3.486 29.237 ( 0.118 -0.534 -0.099) 0.555 29.237 ( -0.118 -0.534 0.099) 0.555 29.344 ( -0.235 0.561 -0.131) 0.622 29.344 ( 0.235 0.561 0.131) 0.622 30.308 ( -0.431 -0.205 -1.727) 1.792 30.308 ( 0.431 -0.205 1.727) 1.792 30.404 ( -1.646 -0.597 -1.329) 2.198 30.404 ( 1.646 -0.597 1.329) 2.198 31.741 ( 1.134 1.659 -1.765) 2.675 31.741 ( -1.134 1.659 1.765) 2.675 31.810 ( 1.026 -1.294 -3.076) 3.491 31.810 ( -1.026 -1.294 3.076) 3.491 32.387 ( -1.076 2.218 -6.266) 6.733 32.387 ( 1.076 2.218 6.266) 6.733 32.506 ( 1.633 -3.036 -7.597) 8.342 32.506 ( -1.633 -3.036 7.597) 8.342 33.289 ( -1.509 11.620 -4.964) 12.726 33.289 ( 1.509 11.620 4.964) 12.726 33.873 ( -2.536 -1.195 -5.806) 6.447 33.873 ( 2.536 -1.195 5.806) 6.447 34.035 ( -5.798 -4.341 -1.276) 7.354 34.035 ( 5.798 -4.341 1.276) 7.354 34.534 ( 1.209 -6.462 -6.582) 9.303 34.534 ( -1.209 -6.462 6.582) 9.303 ======================= Grid point 183 (83/88) ======================= q-point: ( 0.00 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 44 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.811 ( -0.000 0.000 0.000) 0.000 1.811 ( 0.000 0.000 0.000) 0.000 2.244 ( 0.000 0.000 -0.000) 0.000 2.244 ( -0.000 0.000 0.000) 0.000 2.336 ( 0.000 0.000 0.000) 0.000 2.336 ( -0.000 0.000 0.000) 0.000 2.637 ( -0.000 0.000 0.000) 0.000 2.637 ( -0.000 0.000 0.000) 0.000 2.961 ( -0.000 0.000 0.000) 0.000 2.961 ( -0.000 0.000 0.000) 0.000 3.070 ( 0.000 -0.000 0.000) 0.000 3.070 ( 0.000 -0.000 0.000) 0.000 3.338 ( 0.000 0.000 0.000) 0.000 3.338 ( -0.000 0.000 0.000) 0.000 3.524 ( 0.000 0.000 0.000) 0.000 3.524 ( 0.000 0.000 0.000) 0.000 3.696 ( -0.000 0.000 0.000) 0.000 3.696 ( -0.000 0.000 0.000) 0.000 3.889 ( 0.000 0.000 -0.000) 0.000 3.889 ( 0.000 0.000 0.000) 0.000 4.090 ( 0.000 0.000 0.000) 0.000 4.090 ( 0.000 0.000 0.000) 0.000 4.222 ( -0.000 0.000 0.000) 0.000 4.222 ( 0.000 0.000 0.000) 0.000 4.575 ( -0.000 0.000 0.000) 0.000 4.575 ( -0.000 0.000 0.000) 0.000 4.819 ( -0.000 0.000 0.000) 0.000 4.819 ( -0.000 0.000 0.000) 0.000 4.879 ( 0.000 0.000 0.000) 0.000 4.879 ( 0.000 0.000 0.000) 0.000 5.106 ( 0.000 0.000 0.000) 0.000 5.106 ( 0.000 0.000 0.000) 0.000 5.630 ( 0.000 0.000 0.000) 0.000 5.630 ( -0.000 0.000 0.000) 0.000 5.828 ( -0.000 0.000 0.000) 0.000 5.828 ( 0.000 0.000 0.000) 0.000 6.074 ( -0.000 0.000 -0.000) 0.000 6.074 ( -0.000 -0.000 0.000) 0.000 6.166 ( 0.000 0.000 -0.000) 0.000 6.166 ( 0.000 0.000 0.000) 0.000 6.595 ( 0.000 0.000 0.000) 0.000 6.595 ( -0.000 0.000 0.000) 0.000 7.015 ( 0.000 0.000 0.000) 0.000 7.015 ( -0.000 0.000 0.000) 0.000 7.629 ( 0.000 0.000 -0.000) 0.000 7.629 ( -0.000 0.000 0.000) 0.000 7.682 ( 0.000 -0.000 -0.000) 0.000 7.682 ( -0.000 0.000 0.000) 0.000 8.885 ( -0.000 0.000 0.000) 0.000 8.885 ( -0.000 0.000 0.000) 0.000 8.983 ( -0.000 0.000 0.000) 0.000 8.983 ( 0.000 0.000 0.000) 0.000 9.321 ( 0.000 0.000 0.000) 0.000 9.321 ( 0.000 0.000 0.000) 0.000 9.511 ( -0.000 -0.000 0.000) 0.000 9.511 ( -0.000 0.000 0.000) 0.000 9.687 ( -0.000 0.000 0.000) 0.000 9.687 ( 0.000 0.000 0.000) 0.000 9.929 ( 0.000 0.000 0.000) 0.000 9.929 ( 0.000 0.000 0.000) 0.000 10.447 ( -0.000 0.000 0.000) 0.000 10.447 ( 0.000 0.000 0.000) 0.000 10.769 ( -0.000 0.000 0.000) 0.000 10.769 ( 0.000 0.000 0.000) 0.000 11.096 ( -0.000 0.000 0.000) 0.000 11.096 ( -0.000 0.000 0.000) 0.000 11.309 ( 0.000 0.000 0.000) 0.000 11.309 ( -0.000 0.000 0.000) 0.000 11.748 ( -0.000 0.000 -0.000) 0.000 11.748 ( 0.000 0.000 0.000) 0.000 12.013 ( -0.000 0.000 0.000) 0.000 12.013 ( 0.000 0.000 0.000) 0.000 12.994 ( 0.000 0.000 -0.000) 0.000 12.994 ( 0.000 0.000 0.000) 0.000 13.057 ( -0.000 0.000 0.000) 0.000 13.057 ( 0.000 0.000 0.000) 0.000 14.419 ( -0.000 0.000 0.000) 0.000 14.419 ( 0.000 0.000 0.000) 0.000 14.545 ( -0.000 0.000 0.000) 0.000 14.545 ( -0.000 0.000 0.000) 0.000 15.108 ( -0.000 0.000 0.000) 0.000 15.108 ( 0.000 0.000 0.000) 0.000 15.669 ( -0.000 0.000 0.000) 0.000 15.669 ( -0.000 0.000 0.000) 0.000 15.909 ( 0.000 0.000 0.000) 0.000 15.909 ( 0.000 0.000 0.000) 0.000 16.222 ( 0.000 0.000 -0.000) 0.000 16.222 ( -0.000 0.000 0.000) 0.000 16.325 ( 0.000 0.000 -0.000) 0.000 16.325 ( -0.000 0.000 0.000) 0.000 16.576 ( -0.000 0.000 0.000) 0.000 16.576 ( -0.000 0.000 0.000) 0.000 16.902 ( -0.000 0.000 0.000) 0.000 16.902 ( 0.000 0.000 0.000) 0.000 16.989 ( -0.000 0.000 -0.000) 0.000 16.989 ( -0.000 -0.000 0.000) 0.000 18.037 ( 0.000 0.000 0.000) 0.000 18.037 ( -0.000 0.000 0.000) 0.000 18.265 ( -0.000 0.000 0.000) 0.000 18.265 ( 0.000 0.000 0.000) 0.000 21.838 ( -0.000 0.000 0.000) 0.000 21.838 ( 0.000 0.000 0.000) 0.000 22.067 ( -0.000 0.000 0.000) 0.000 22.067 ( 0.000 0.000 0.000) 0.000 27.792 ( 0.000 0.000 0.000) 0.000 27.792 ( -0.000 0.000 0.000) 0.000 28.323 ( 0.000 0.000 0.000) 0.000 28.323 ( 0.000 0.000 0.000) 0.000 29.186 ( -0.000 0.000 0.000) 0.000 29.186 ( 0.000 0.000 0.000) 0.000 29.513 ( 0.000 0.000 0.000) 0.000 29.513 ( -0.000 0.000 0.000) 0.000 30.391 ( 0.000 0.000 0.000) 0.000 30.391 ( -0.000 0.000 0.000) 0.000 30.832 ( -0.000 0.000 0.000) 0.000 30.832 ( 0.000 0.000 0.000) 0.000 31.461 ( -0.000 0.000 0.000) 0.000 31.461 ( -0.000 0.000 0.000) 0.000 31.698 ( -0.000 0.000 0.000) 0.000 31.698 ( 0.000 0.000 0.000) 0.000 31.999 ( -0.000 0.000 0.000) 0.000 31.999 ( 0.000 0.000 0.000) 0.000 32.044 ( -0.000 0.000 -0.000) 0.000 32.044 ( 0.000 0.000 0.000) 0.000 32.681 ( 0.000 0.000 0.000) 0.000 32.681 ( 0.000 0.000 0.000) 0.000 32.917 ( 0.000 0.000 0.000) 0.000 32.917 ( -0.000 0.000 0.000) 0.000 34.649 ( 0.000 0.000 -0.000) 0.000 34.649 ( -0.000 0.000 0.000) 0.000 34.753 ( 0.000 0.000 -0.000) 0.000 34.753 ( -0.000 0.000 0.000) 0.000 ======================= Grid point 187 (84/88) ======================= q-point: ( 0.10 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.859 ( 5.243 -9.306 0.827) 10.713 1.859 ( 5.243 9.306 0.827) 10.713 2.246 ( -1.535 -16.508 -4.358) 17.143 2.246 ( -1.535 16.508 -4.358) 17.143 2.348 ( 8.733 -4.793 -4.188) 10.806 2.348 ( 8.733 4.793 -4.188) 10.806 2.719 ( 3.462 -17.027 1.080) 17.409 2.719 ( 3.462 17.027 1.080) 17.409 2.994 ( 5.683 -10.243 0.601) 11.729 2.994 ( 5.683 10.243 0.601) 11.729 3.202 ( 8.014 -10.270 2.175) 13.207 3.202 ( 8.014 10.270 2.175) 13.207 3.422 ( 8.631 -1.866 -1.865) 9.025 3.422 ( 8.631 1.866 -1.865) 9.025 3.486 ( 1.293 -12.239 -0.808) 12.333 3.486 ( 1.293 12.239 -0.808) 12.333 3.737 ( 3.061 -1.689 -0.450) 3.525 3.737 ( 3.061 1.689 -0.450) 3.525 3.925 ( 4.066 -3.550 1.348) 5.564 3.925 ( 4.066 3.550 1.348) 5.564 4.116 ( 2.933 -10.560 -2.791) 11.309 4.116 ( 2.933 10.560 -2.791) 11.309 4.243 ( 2.154 -4.567 4.313) 6.641 4.243 ( 2.154 4.567 4.313) 6.641 4.644 ( 3.498 -4.933 3.894) 7.192 4.644 ( 3.498 4.933 3.894) 7.192 4.772 ( -1.051 -10.308 -1.372) 10.452 4.772 ( -1.051 10.308 -1.372) 10.452 4.894 ( 1.382 -5.094 -2.936) 6.040 4.894 ( 1.382 5.094 -2.936) 6.040 5.172 ( 4.741 -1.992 1.785) 5.444 5.172 ( 4.741 1.992 1.785) 5.444 5.665 ( 3.684 -6.534 -2.258) 7.833 5.665 ( 3.684 6.534 -2.258) 7.833 5.779 ( -4.548 -2.983 0.614) 5.474 5.779 ( -4.548 2.983 0.614) 5.474 5.995 ( -7.033 -5.880 1.484) 9.287 5.995 ( -7.033 5.880 1.484) 9.287 6.231 ( 5.081 -6.729 -0.200) 8.434 6.231 ( 5.081 6.729 -0.200) 8.434 6.608 ( 1.879 -3.723 -0.851) 4.256 6.608 ( 1.879 3.723 -0.851) 4.256 6.986 ( -3.208 -4.963 0.599) 5.940 6.986 ( -3.208 4.963 0.599) 5.940 7.580 ( -5.833 -5.304 2.209) 8.187 7.580 ( -5.833 5.304 2.209) 8.187 7.657 ( -1.871 -3.281 -2.343) 4.444 7.657 ( -1.871 3.281 -2.343) 4.444 8.760 ( -10.877 -4.146 0.266) 11.644 8.760 ( -10.877 4.146 0.266) 11.644 8.987 ( -1.747 -4.164 0.926) 4.610 8.987 ( -1.747 4.164 0.926) 4.610 9.274 ( -2.210 -9.446 0.411) 9.710 9.274 ( -2.210 9.446 0.411) 9.710 9.552 ( -1.578 -5.798 -5.486) 8.137 9.552 ( -1.578 5.798 -5.486) 8.137 9.650 ( 3.897 -3.006 0.779) 4.983 9.650 ( 3.897 3.006 0.779) 4.983 9.995 ( 2.516 -4.075 2.526) 5.415 9.995 ( 2.516 4.075 2.526) 5.415 10.427 ( -1.567 -1.524 0.318) 2.209 10.427 ( -1.567 1.524 0.318) 2.209 10.767 ( 0.036 -3.765 -0.818) 3.853 10.767 ( 0.036 3.765 -0.818) 3.853 11.076 ( -2.871 -2.723 4.003) 5.628 11.076 ( -2.871 2.723 4.003) 5.628 11.341 ( 3.910 -1.854 -4.276) 6.083 11.341 ( 3.910 1.854 -4.276) 6.083 11.709 ( -3.608 -1.796 0.215) 4.036 11.709 ( -3.608 1.796 0.215) 4.036 12.060 ( 3.720 -2.744 0.599) 4.662 12.060 ( 3.720 2.744 0.599) 4.662 13.007 ( 1.599 -2.045 -0.362) 2.622 13.007 ( 1.599 2.045 -0.362) 2.622 13.078 ( 2.164 -1.951 -0.088) 2.915 13.078 ( 2.164 1.951 -0.088) 2.915 14.388 ( -2.658 -1.212 0.134) 2.924 14.388 ( -2.658 1.212 0.134) 2.924 14.545 ( -0.428 -0.652 -0.096) 0.785 14.545 ( -0.428 0.652 -0.096) 0.785 15.106 ( 0.034 -1.997 -0.220) 2.010 15.106 ( 0.034 1.997 -0.220) 2.010 15.640 ( -3.241 -2.190 1.573) 4.216 15.640 ( -3.241 2.190 1.573) 4.216 15.938 ( 2.765 -1.452 -0.572) 3.175 15.938 ( 2.765 1.452 -0.572) 3.175 16.197 ( -1.704 -2.617 -0.463) 3.157 16.197 ( -1.704 2.617 -0.463) 3.157 16.305 ( -2.085 -4.674 0.003) 5.118 16.305 ( -2.085 4.674 0.003) 5.118 16.589 ( -0.045 -5.500 1.580) 5.722 16.589 ( -0.045 5.500 1.580) 5.722 16.895 ( 1.373 -3.255 -3.332) 4.856 16.895 ( 1.373 3.255 -3.332) 4.856 17.020 ( 1.492 -3.981 3.003) 5.205 17.020 ( 1.492 3.981 3.003) 5.205 17.998 ( -3.059 -2.828 -0.618) 4.212 17.998 ( -3.059 2.828 -0.618) 4.212 18.276 ( -0.450 -2.777 2.080) 3.499 18.276 ( -0.450 2.777 2.080) 3.499 21.823 ( -0.840 -1.415 -1.928) 2.535 21.823 ( -0.840 1.415 -1.928) 2.535 22.030 ( -3.849 -2.034 0.838) 4.433 22.030 ( -3.849 2.034 0.838) 4.433 27.743 ( -2.694 -0.532 -5.113) 5.804 27.743 ( -2.694 0.532 -5.113) 5.804 28.275 ( -7.772 -1.980 6.517) 10.334 28.275 ( -7.772 1.980 6.517) 10.334 29.189 ( 0.487 -0.183 -0.628) 0.816 29.189 ( 0.487 0.183 -0.628) 0.816 29.488 ( -3.044 -0.752 1.216) 3.363 29.488 ( -3.044 0.752 1.216) 3.363 30.332 ( -3.483 -0.722 -3.000) 4.653 30.332 ( -3.483 0.722 -3.000) 4.653 30.789 ( -4.375 -0.591 -0.188) 4.419 30.789 ( -4.375 0.591 -0.188) 4.419 31.469 ( 1.666 -1.476 0.146) 2.231 31.469 ( 1.666 1.476 0.146) 2.231 31.735 ( 3.073 -0.887 0.050) 3.199 31.735 ( 3.073 0.887 0.050) 3.199 32.012 ( 2.981 -1.863 -0.093) 3.516 32.012 ( 2.981 1.863 -0.093) 3.516 32.220 ( 12.686 -5.897 4.205) 14.608 32.220 ( 12.686 5.897 4.205) 14.608 32.703 ( 4.945 -3.037 -4.716) 7.478 32.703 ( 4.945 3.037 -4.716) 7.478 33.029 ( 10.361 -3.663 1.186) 11.054 33.029 ( 10.361 3.663 1.186) 11.054 34.582 ( -5.085 -1.617 -3.402) 6.328 34.582 ( -5.085 1.617 -3.402) 6.328 34.727 ( -4.374 -2.854 3.662) 6.378 34.727 ( -4.374 2.854 3.662) 6.378 ======================= Grid point 189 (85/88) ======================= q-point: ( 0.20 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.028 ( 10.199 -7.681 4.008) 13.382 2.028 ( 10.199 7.681 4.008) 13.382 2.218 ( 4.824 -11.090 -8.418) 14.735 2.218 ( 4.824 11.090 -8.418) 14.735 2.508 ( 9.675 -4.290 -3.223) 11.063 2.508 ( 9.675 4.290 -3.223) 11.063 2.795 ( 4.152 -12.522 4.470) 13.929 2.795 ( 4.152 12.522 4.470) 13.929 3.101 ( 4.065 -5.420 -0.343) 6.784 3.101 ( 4.065 5.420 -0.343) 6.784 3.283 ( 1.099 -7.572 -0.796) 7.692 3.283 ( 1.099 7.572 -0.796) 7.692 3.524 ( 8.054 -3.152 -2.675) 9.053 3.524 ( 8.054 3.152 -2.675) 9.053 3.695 ( 9.943 -5.170 -0.579) 11.222 3.695 ( 9.943 5.170 -0.579) 11.222 3.807 ( 5.754 -2.975 1.036) 6.560 3.807 ( 5.754 2.975 1.036) 6.560 4.016 ( 4.245 -3.906 0.115) 5.770 4.016 ( 4.245 3.906 0.115) 5.770 4.210 ( 6.130 -7.042 3.260) 9.889 4.210 ( 6.130 7.042 3.260) 9.889 4.387 ( 10.812 -6.304 4.081) 13.164 4.387 ( 10.812 6.304 4.081) 13.164 4.685 ( 1.135 -3.436 -1.210) 3.815 4.685 ( 1.135 3.436 -1.210) 3.815 4.809 ( 1.665 -5.912 2.927) 6.804 4.809 ( 1.665 5.912 2.927) 6.804 4.935 ( 7.520 -2.537 -3.465) 8.660 4.935 ( 7.520 2.537 -3.465) 8.660 5.228 ( -0.337 -2.402 -0.151) 2.430 5.228 ( -0.337 2.402 -0.151) 2.430 5.640 ( -3.926 -9.340 -3.701) 10.786 5.640 ( -3.926 9.340 -3.701) 10.786 5.768 ( 2.221 -8.050 1.035) 8.415 5.768 ( 2.221 8.050 1.035) 8.415 5.881 ( -4.368 -10.894 1.058) 11.785 5.881 ( -4.368 10.894 1.058) 11.785 6.320 ( 3.694 -6.759 -0.036) 7.702 6.320 ( 3.694 6.759 -0.036) 7.702 6.654 ( 3.540 -5.226 -0.970) 6.386 6.654 ( 3.540 5.226 -0.970) 6.386 6.915 ( -4.382 -8.584 0.976) 9.687 6.915 ( -4.382 8.584 0.976) 9.687 7.451 ( -8.198 -6.477 -0.674) 10.469 7.451 ( -8.198 6.477 -0.674) 10.469 7.581 ( -5.061 -4.238 0.195) 6.604 7.581 ( -5.061 4.238 0.195) 6.604 8.546 ( -11.236 -6.358 1.513) 12.999 8.546 ( -11.236 6.358 1.513) 12.999 8.925 ( -5.420 -6.466 1.388) 8.550 8.925 ( -5.420 6.466 1.388) 8.550 9.268 ( 0.502 -5.697 1.101) 5.824 9.268 ( 0.502 5.697 1.101) 5.824 9.456 ( -2.490 -1.036 -4.588) 5.322 9.456 ( -2.490 1.036 -4.588) 5.322 9.749 ( 3.175 -4.536 1.060) 5.637 9.749 ( 3.175 4.536 1.060) 5.637 10.024 ( 1.182 -6.792 -1.653) 7.090 10.024 ( 1.182 6.792 -1.653) 7.090 10.413 ( -0.350 -2.486 0.501) 2.560 10.413 ( -0.350 2.486 0.501) 2.560 10.754 ( -1.388 -3.837 0.452) 4.106 10.754 ( -1.388 3.837 0.452) 4.106 11.057 ( -4.020 -5.461 7.031) 9.768 11.057 ( -4.020 5.461 7.031) 9.768 11.366 ( 3.324 -4.865 -6.864) 9.046 11.366 ( 3.324 4.865 -6.864) 9.046 11.638 ( -3.559 -1.839 -0.096) 4.007 11.638 ( -3.559 1.839 -0.096) 4.007 12.125 ( 2.262 -1.570 0.202) 2.761 12.125 ( 2.262 1.570 0.202) 2.761 13.048 ( 2.852 -3.340 -0.100) 4.393 13.048 ( 2.852 3.340 -0.100) 4.393 13.130 ( 3.288 -3.142 -0.418) 4.567 13.130 ( 3.288 3.142 -0.418) 4.567 14.342 ( -2.528 -1.409 1.621) 3.317 14.342 ( -2.528 1.409 1.621) 3.317 14.522 ( -1.261 -2.175 -1.242) 2.804 14.522 ( -1.261 2.175 -1.242) 2.804 15.115 ( 1.116 -3.094 0.310) 3.304 15.115 ( 1.116 3.094 0.310) 3.304 15.583 ( -3.891 -2.425 1.024) 4.698 15.583 ( -3.891 2.425 1.024) 4.698 15.985 ( 2.188 -1.661 -0.238) 2.757 15.985 ( 2.188 1.661 -0.238) 2.757 16.157 ( -3.287 -5.607 0.690) 6.536 16.157 ( -3.287 5.607 0.690) 6.536 16.265 ( -1.126 -8.959 0.296) 9.035 16.265 ( -1.126 8.959 0.296) 9.035 16.592 ( 0.391 -4.707 -0.668) 4.770 16.592 ( 0.391 4.707 -0.668) 4.770 16.908 ( 2.297 -3.221 -3.030) 4.983 16.908 ( 2.297 3.221 -3.030) 4.983 17.079 ( 1.674 -6.416 3.938) 7.712 17.079 ( 1.674 6.416 3.938) 7.712 17.938 ( -2.560 -2.836 -0.601) 3.867 17.938 ( -2.560 2.836 -0.601) 3.867 18.260 ( -2.518 -3.152 0.950) 4.145 18.260 ( -2.518 3.152 0.950) 4.145 21.783 ( -1.429 -3.205 -2.438) 4.273 21.783 ( -1.429 3.205 -2.438) 4.273 21.958 ( -4.118 -4.130 1.260) 5.967 21.958 ( -4.118 4.130 1.260) 5.967 27.638 ( -3.592 -0.230 -5.030) 6.185 27.638 ( -3.592 0.230 -5.030) 6.185 28.137 ( -11.543 -1.082 6.148) 13.123 28.137 ( -11.543 1.082 6.148) 13.123 29.195 ( 0.775 -0.289 -0.787) 1.142 29.195 ( 0.775 0.289 -0.787) 1.142 29.432 ( -3.192 -0.446 0.837) 3.330 29.432 ( -3.192 0.446 0.837) 3.330 30.261 ( -1.396 -0.900 -2.440) 2.952 30.261 ( -1.396 0.900 -2.440) 2.952 30.683 ( -6.401 -1.875 0.205) 6.673 30.683 ( -6.401 1.875 0.205) 6.673 31.531 ( 4.454 -1.221 0.042) 4.618 31.531 ( 4.454 1.221 0.042) 4.618 31.795 ( 2.744 -1.075 0.038) 2.948 31.795 ( 2.744 1.075 0.038) 2.948 32.096 ( 4.846 -2.307 2.256) 5.822 32.096 ( 4.846 2.307 2.256) 5.822 32.457 ( 8.203 -9.137 -0.789) 12.305 32.457 ( 8.203 9.137 -0.789) 12.305 32.837 ( 12.240 -3.330 -0.168) 12.686 32.837 ( 12.240 3.330 -0.168) 12.686 33.279 ( 14.679 -5.653 -0.313) 15.733 33.279 ( 14.679 5.653 -0.313) 15.733 34.429 ( -7.842 -3.031 -3.552) 9.127 34.429 ( -7.842 3.031 -3.552) 9.127 34.649 ( -6.322 -5.148 3.433) 8.846 34.649 ( -6.322 5.148 3.433) 8.846 ======================= Grid point 191 (86/88) ======================= q-point: ( 0.30 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.241 ( 9.024 -8.723 0.306) 12.555 2.241 ( 9.024 8.723 0.306) 12.555 2.340 ( 12.056 -8.259 -0.233) 14.615 2.340 ( 12.056 8.259 -0.233) 14.615 2.637 ( 7.489 -3.728 -4.531) 9.514 2.637 ( 7.489 3.728 -4.531) 9.514 2.944 ( 5.319 -9.160 7.041) 12.719 2.944 ( 5.319 9.160 7.041) 12.719 3.136 ( 0.613 -1.280 -2.191) 2.611 3.136 ( 0.613 1.280 -2.191) 2.611 3.303 ( 1.891 -1.689 1.619) 3.008 3.303 ( 1.891 1.689 1.619) 3.008 3.654 ( 6.657 -5.862 -1.604) 9.014 3.654 ( 6.657 5.862 -1.604) 9.014 3.749 ( -1.420 -7.731 0.218) 7.863 3.749 ( -1.420 7.731 0.218) 7.863 3.929 ( 6.969 -4.798 -2.128) 8.725 3.929 ( 6.969 4.798 -2.128) 8.725 4.127 ( 4.652 -6.467 3.130) 8.559 4.127 ( 4.652 6.467 3.130) 8.559 4.297 ( 0.370 -2.557 2.637) 3.692 4.297 ( 0.370 2.557 2.637) 3.692 4.575 ( -1.038 -1.596 6.281) 6.563 4.575 ( -1.038 1.596 6.281) 6.563 4.741 ( 2.293 -8.587 -4.157) 9.812 4.741 ( 2.293 8.587 -4.157) 9.812 4.890 ( 13.440 -7.429 0.131) 15.357 4.890 ( 13.440 7.429 0.131) 15.357 5.127 ( 14.217 -9.385 -5.328) 17.849 5.127 ( 14.217 9.385 -5.328) 17.849 5.208 ( -0.096 -1.343 0.981) 1.666 5.208 ( -0.096 1.343 0.981) 1.666 5.550 ( -1.529 -10.501 -2.950) 11.014 5.550 ( -1.529 10.501 -2.950) 11.014 5.729 ( -4.524 -11.743 -1.671) 12.695 5.729 ( -4.524 11.743 -1.671) 12.695 5.912 ( 3.227 -10.353 2.171) 11.060 5.912 ( 3.227 10.353 2.171) 11.060 6.339 ( -1.533 -6.568 -1.133) 6.839 6.339 ( -1.533 6.568 -1.133) 6.839 6.715 ( 3.475 -3.809 -1.212) 5.297 6.715 ( 3.475 3.809 -1.212) 5.297 6.863 ( -2.124 -9.909 2.490) 10.436 6.863 ( -2.124 9.909 2.490) 10.436 7.289 ( -6.708 -6.160 -2.621) 9.477 7.289 ( -6.708 6.160 -2.621) 9.477 7.478 ( -6.576 -3.432 2.021) 7.688 7.478 ( -6.576 3.432 2.021) 7.688 8.393 ( -6.774 -6.788 3.494) 10.207 8.393 ( -6.774 6.788 3.494) 10.207 8.818 ( -5.817 -4.601 -0.576) 7.439 8.818 ( -5.817 4.601 -0.576) 7.439 9.298 ( 1.430 -5.577 1.456) 5.938 9.298 ( 1.430 5.577 1.456) 5.938 9.391 ( -2.161 -3.109 -1.561) 4.095 9.391 ( -2.161 3.109 -1.561) 4.095 9.775 ( -0.118 -0.952 0.196) 0.980 9.775 ( -0.118 0.952 0.196) 0.980 10.047 ( 2.770 -4.769 -2.480) 6.047 10.047 ( 2.770 4.769 -2.480) 6.047 10.413 ( 0.546 -2.802 -0.628) 2.924 10.413 ( 0.546 2.802 -0.628) 2.924 10.718 ( -2.952 -3.107 0.519) 4.317 10.718 ( -2.952 3.107 0.519) 4.317 11.016 ( -5.833 -6.613 6.584) 11.005 11.016 ( -5.833 6.613 6.584) 11.005 11.372 ( 2.508 -6.925 -5.420) 9.144 11.372 ( 2.508 6.925 -5.420) 9.144 11.581 ( -2.364 -1.656 -0.050) 2.887 11.581 ( -2.364 1.656 -0.050) 2.887 12.145 ( 0.291 -0.597 -0.687) 0.955 12.145 ( 0.291 0.597 -0.687) 0.956 13.103 ( 2.760 -3.817 0.054) 4.710 13.103 ( 2.760 3.817 0.054) 4.710 13.188 ( 3.083 -3.994 -0.339) 5.057 13.188 ( 3.083 3.994 -0.339) 5.057 14.326 ( -1.205 -1.732 3.283) 3.903 14.326 ( -1.205 1.732 3.283) 3.903 14.485 ( -1.118 -3.151 -2.452) 4.146 14.485 ( -1.118 3.151 -2.452) 4.146 15.154 ( 2.579 -3.212 0.578) 4.160 15.154 ( 2.579 3.212 0.578) 4.160 15.505 ( -4.870 -1.576 -0.041) 5.119 15.505 ( -4.870 1.576 -0.041) 5.119 16.003 ( -0.564 -2.621 -0.256) 2.693 16.003 ( -0.564 2.621 -0.256) 2.693 16.092 ( -2.899 -2.779 0.798) 4.095 16.092 ( -2.899 2.779 0.798) 4.095 16.278 ( 1.512 -5.245 0.572) 5.488 16.278 ( 1.512 5.245 0.572) 5.488 16.601 ( 1.478 -4.237 -2.136) 4.969 16.601 ( 1.478 4.237 -2.136) 4.969 16.935 ( 2.586 -2.850 -1.246) 4.045 16.935 ( 2.586 2.850 -1.246) 4.045 17.131 ( 0.561 -6.842 3.431) 7.674 17.131 ( 0.561 6.842 3.431) 7.674 17.898 ( -1.095 -2.818 -0.652) 3.093 17.898 ( -1.095 2.818 -0.652) 3.093 18.206 ( -3.041 -2.792 -0.357) 4.143 18.206 ( -3.041 2.792 -0.357) 4.143 21.741 ( -1.292 -3.724 -1.281) 4.145 21.741 ( -1.292 3.724 -1.281) 4.145 21.902 ( -2.639 -4.551 0.657) 5.302 21.902 ( -2.639 4.551 0.657) 5.302 27.555 ( -2.104 -0.280 -1.517) 2.609 27.555 ( -2.104 0.280 -1.517) 2.609 27.953 ( -10.738 -0.408 1.833) 10.900 27.953 ( -10.738 0.408 1.833) 10.900 29.207 ( 0.946 -0.323 -0.414) 1.082 29.207 ( 0.946 0.323 -0.414) 1.082 29.389 ( -1.994 -0.275 0.411) 2.055 29.389 ( -1.994 0.275 0.411) 2.055 30.243 ( 0.557 -1.374 -0.598) 1.599 30.243 ( 0.557 1.374 -0.598) 1.599 30.565 ( -6.070 -2.287 0.143) 6.488 30.565 ( -6.070 2.287 0.143) 6.488 31.622 ( 5.103 -0.271 -0.405) 5.126 31.622 ( 5.103 0.271 -0.405) 5.126 31.827 ( 0.520 -1.155 0.076) 1.269 31.827 ( 0.520 1.155 0.076) 1.269 32.223 ( 5.274 -2.409 5.021) 7.671 32.223 ( 5.274 2.409 5.021) 7.671 32.518 ( 3.047 -4.205 -7.277) 8.940 32.518 ( 3.047 4.205 -7.277) 8.940 33.114 ( 12.973 -6.595 5.557) 15.578 33.114 ( 12.973 6.595 5.557) 15.578 33.538 ( 12.853 -7.586 -1.857) 15.040 33.538 ( 12.853 7.586 -1.857) 15.040 34.249 ( -8.177 -3.903 -2.915) 9.518 34.249 ( -8.177 3.903 -2.915) 9.518 34.557 ( -5.368 -6.045 2.040) 8.338 34.557 ( -5.368 6.045 2.040) 8.338 ======================= Grid point 193 (87/88) ======================= q-point: ( 0.40 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.417 ( 9.370 -5.767 0.884) 11.038 2.417 ( 9.370 5.767 0.884) 11.038 2.555 ( 6.559 -4.921 3.298) 8.837 2.555 ( 6.559 4.921 3.298) 8.837 2.744 ( 8.277 -4.445 -5.398) 10.835 2.744 ( 8.277 4.445 -5.398) 10.835 3.018 ( -3.604 -1.600 4.440) 5.938 3.018 ( -3.604 1.600 4.440) 5.938 3.135 ( 3.921 -3.638 -3.776) 6.547 3.135 ( 3.921 3.638 -3.776) 6.547 3.374 ( 2.105 -7.232 4.074) 8.563 3.374 ( 2.105 7.232 4.074) 8.563 3.676 ( -4.226 -6.625 1.875) 8.079 3.676 ( -4.226 6.625 1.875) 8.079 3.742 ( 0.883 -1.496 -1.395) 2.228 3.742 ( 0.883 1.496 -1.395) 2.228 4.043 ( 6.416 -5.864 -1.851) 8.887 4.043 ( 6.416 5.864 -1.851) 8.887 4.174 ( -2.948 -4.384 5.256) 7.452 4.174 ( -2.948 4.384 5.256) 7.452 4.310 ( 0.142 -4.408 1.942) 4.819 4.310 ( 0.142 4.408 1.942) 4.819 4.556 ( -0.467 -0.874 0.504) 1.112 4.556 ( -0.467 0.874 0.504) 1.112 4.709 ( -0.219 -6.990 -4.768) 8.464 4.709 ( -0.219 6.990 -4.768) 8.464 5.137 ( 8.050 -4.425 -2.306) 9.471 5.137 ( 8.050 4.425 -2.306) 9.471 5.222 ( 0.969 -3.446 2.636) 4.445 5.222 ( 0.969 3.446 2.636) 4.445 5.337 ( 8.965 -7.144 -2.424) 11.717 5.337 ( 8.965 7.144 -2.424) 11.717 5.570 ( 1.708 -3.926 -3.634) 5.616 5.570 ( 1.708 3.926 -3.634) 5.616 5.659 ( 3.762 -6.346 -1.696) 7.569 5.659 ( 3.762 6.346 -1.696) 7.569 5.945 ( -2.421 -9.096 2.429) 9.721 5.945 ( -2.421 9.096 2.429) 9.721 6.279 ( -2.751 -5.124 -0.537) 5.841 6.279 ( -2.751 5.124 -0.537) 5.841 6.762 ( 2.731 -1.393 -0.746) 3.155 6.762 ( 2.731 1.393 -0.746) 3.155 6.860 ( -0.995 -5.978 2.510) 6.559 6.860 ( -0.995 5.978 2.510) 6.559 7.170 ( -4.168 -3.630 -2.737) 6.167 7.170 ( -4.168 3.630 -2.737) 6.167 7.388 ( -3.732 -2.077 1.938) 4.691 7.388 ( -3.732 2.077 1.938) 4.691 8.337 ( -2.527 -4.645 3.511) 6.348 8.337 ( -2.527 4.645 3.511) 6.348 8.715 ( -3.678 -2.344 -1.788) 4.714 8.715 ( -3.678 2.344 -1.788) 4.714 9.325 ( 0.982 -6.602 -2.862) 7.263 9.325 ( 0.982 6.602 -2.862) 7.263 9.359 ( -1.480 -5.756 4.268) 7.317 9.359 ( -1.480 5.756 4.268) 7.317 9.770 ( -0.278 -1.957 0.105) 1.980 9.770 ( -0.278 1.957 0.105) 1.980 10.071 ( 1.492 -1.858 -2.297) 3.310 10.071 ( 1.492 1.858 -2.297) 3.310 10.438 ( 2.819 -2.762 -0.355) 3.962 10.438 ( 2.819 2.762 -0.355) 3.962 10.644 ( -4.853 -1.803 -0.379) 5.191 10.644 ( -4.853 1.803 -0.379) 5.191 10.960 ( -3.653 -4.284 3.680) 6.726 10.960 ( -3.653 4.284 3.680) 6.726 11.378 ( 1.135 -4.895 -2.329) 5.538 11.378 ( 1.135 4.895 -2.329) 5.538 11.547 ( -1.254 -1.098 0.093) 1.669 11.547 ( -1.254 1.098 0.093) 1.669 12.138 ( -0.161 -0.838 -0.821) 1.185 12.138 ( -0.161 0.838 -0.821) 1.185 13.144 ( 1.457 -2.547 -0.053) 2.935 13.144 ( 1.457 2.547 -0.053) 2.935 13.236 ( 1.944 -2.875 0.024) 3.471 13.236 ( 1.944 2.875 0.024) 3.471 14.344 ( -0.028 -2.197 4.105) 4.656 14.344 ( -0.028 2.197 4.105) 4.656 14.444 ( -0.869 -3.225 -3.441) 4.796 14.444 ( -0.869 3.225 -3.441) 4.796 15.218 ( 3.762 -2.223 0.107) 4.371 15.218 ( 3.762 2.223 0.107) 4.371 15.405 ( -5.274 -0.470 -0.109) 5.296 15.405 ( -5.274 0.470 -0.109) 5.296 15.969 ( -1.871 -2.785 -0.130) 3.358 15.969 ( -1.871 2.785 -0.130) 3.358 16.074 ( -0.214 -0.582 0.223) 0.659 16.074 ( -0.214 0.582 0.223) 0.659 16.311 ( 1.224 -2.077 0.420) 2.447 16.311 ( 1.224 2.077 0.420) 2.447 16.608 ( 0.908 -2.806 -1.888) 3.502 16.608 ( 0.908 2.806 -1.888) 3.502 16.991 ( 3.326 -3.046 0.507) 4.539 16.991 ( 3.326 3.046 0.507) 4.539 17.143 ( -1.327 -5.528 1.545) 5.891 17.143 ( -1.327 5.528 1.545) 5.891 17.884 ( -0.098 -2.036 -0.350) 2.068 17.884 ( -0.098 2.036 -0.350) 2.068 18.153 ( -1.976 -1.705 -0.545) 2.666 18.153 ( -1.976 1.705 -0.545) 2.666 21.717 ( -0.676 -2.414 -0.259) 2.520 21.717 ( -0.676 2.414 -0.259) 2.520 21.868 ( -1.233 -2.876 0.060) 3.130 21.868 ( -1.233 2.876 0.060) 3.130 27.545 ( 0.909 -0.478 1.861) 2.126 27.545 ( 0.909 0.478 1.861) 2.126 27.774 ( -7.904 -0.951 -1.893) 8.183 27.774 ( -7.904 0.951 -1.893) 8.183 29.223 ( 0.825 -0.258 0.004) 0.865 29.223 ( 0.825 0.258 0.004) 0.865 29.361 ( -1.135 -0.208 0.048) 1.154 29.361 ( -1.135 0.208 0.048) 1.154 30.269 ( 1.966 -0.947 0.840) 2.338 30.269 ( 1.966 0.947 0.840) 2.338 30.460 ( -4.805 -1.619 -0.576) 5.103 30.460 ( -4.805 1.619 -0.576) 5.103 31.710 ( 4.520 -0.909 -0.861) 4.690 31.710 ( 4.520 0.909 -0.861) 4.690 31.818 ( -1.556 -1.312 0.547) 2.107 31.818 ( -1.556 1.312 0.547) 2.107 32.351 ( 3.216 -3.045 6.509) 7.872 32.351 ( 3.216 3.045 6.509) 7.872 32.496 ( 1.269 -1.616 -8.098) 8.355 32.496 ( 1.269 1.616 -8.098) 8.355 33.366 ( 8.495 -7.337 5.770) 12.621 33.366 ( 8.495 7.337 5.770) 12.621 33.707 ( 6.569 -9.067 -3.556) 11.748 33.707 ( 6.569 9.067 -3.556) 11.748 34.099 ( -5.378 -4.568 -1.110) 7.143 34.099 ( -5.378 4.568 -1.110) 7.143 34.486 ( -3.080 -4.433 0.670) 5.440 34.486 ( -3.080 4.433 0.670) 5.440 ======================= Grid point 195 (88/88) ======================= q-point: (-0.50 -0.50 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 44 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.567 ( 0.000 -0.000 -0.000) 0.000 2.567 ( 0.000 0.000 -0.000) 0.000 2.577 ( -0.000 -0.000 0.000) 0.000 2.577 ( -0.000 0.000 0.000) 0.000 2.851 ( 0.000 0.000 -0.000) 0.000 2.851 ( -0.000 0.000 0.000) 0.000 2.946 ( 0.000 0.000 -0.000) 0.000 2.946 ( 0.000 0.000 -0.000) 0.000 3.186 ( 0.000 0.000 -0.000) 0.000 3.186 ( 0.000 0.000 -0.000) 0.000 3.403 ( -0.000 0.000 -0.000) 0.000 3.403 ( 0.000 0.000 -0.000) 0.000 3.646 ( 0.000 0.000 -0.000) 0.000 3.646 ( 0.000 0.000 0.000) 0.000 3.717 ( 0.000 0.000 -0.000) 0.000 3.717 ( 0.000 0.000 0.000) 0.000 4.117 ( 0.000 0.000 -0.000) 0.000 4.117 ( 0.000 0.000 0.000) 0.000 4.141 ( 0.000 -0.000 -0.000) 0.000 4.141 ( -0.000 0.000 0.000) 0.000 4.324 ( 0.000 0.000 -0.000) 0.000 4.324 ( -0.000 0.000 0.000) 0.000 4.592 ( -0.000 -0.000 -0.000) 0.000 4.592 ( 0.000 0.000 0.000) 0.000 4.658 ( 0.000 0.000 -0.000) 0.000 4.658 ( 0.000 0.000 -0.000) 0.000 5.192 ( 0.000 -0.000 -0.000) 0.000 5.192 ( 0.000 0.000 0.000) 0.000 5.242 ( 0.000 -0.000 -0.000) 0.000 5.242 ( 0.000 0.000 0.000) 0.000 5.420 ( 0.000 0.000 -0.000) 0.000 5.420 ( 0.000 0.000 -0.000) 0.000 5.530 ( 0.000 0.000 -0.000) 0.000 5.530 ( 0.000 0.000 -0.000) 0.000 5.782 ( 0.000 0.000 -0.000) 0.000 5.782 ( 0.000 0.000 -0.000) 0.000 5.885 ( -0.000 0.000 -0.000) 0.000 5.885 ( -0.000 0.000 0.000) 0.000 6.251 ( 0.000 0.000 -0.000) 0.000 6.251 ( 0.000 0.000 0.000) 0.000 6.804 ( 0.000 -0.000 -0.000) 0.000 6.804 ( -0.000 0.000 0.000) 0.000 6.850 ( 0.000 0.000 -0.000) 0.000 6.850 ( 0.000 0.000 0.000) 0.000 7.107 ( 0.000 0.000 -0.000) 0.000 7.107 ( 0.000 0.000 -0.000) 0.000 7.366 ( 0.000 0.000 -0.000) 0.000 7.366 ( 0.000 0.000 -0.000) 0.000 8.330 ( 0.000 0.000 -0.000) 0.000 8.330 ( 0.000 0.000 -0.000) 0.000 8.670 ( 0.000 0.000 -0.000) 0.000 8.670 ( 0.000 0.000 -0.000) 0.000 9.315 ( 0.000 -0.000 -0.000) 0.000 9.315 ( 0.000 0.000 -0.000) 0.000 9.370 ( 0.000 0.000 0.000) 0.000 9.370 ( 0.000 0.000 0.000) 0.000 9.768 ( 0.000 0.000 -0.000) 0.000 9.768 ( 0.000 0.000 -0.000) 0.000 10.074 ( 0.000 0.000 -0.000) 0.000 10.074 ( 0.000 0.000 0.000) 0.000 10.492 ( 0.000 0.000 -0.000) 0.000 10.492 ( 0.000 0.000 0.000) 0.000 10.566 ( 0.000 0.000 -0.000) 0.000 10.566 ( 0.000 0.000 -0.000) 0.000 10.940 ( 0.000 0.000 -0.000) 0.000 10.940 ( 0.000 0.000 -0.000) 0.000 11.379 ( 0.000 0.000 -0.000) 0.000 11.379 ( 0.000 0.000 0.000) 0.000 11.536 ( 0.000 0.000 -0.000) 0.000 11.536 ( 0.000 0.000 -0.000) 0.000 12.133 ( 0.000 0.000 0.000) 0.000 12.133 ( 0.000 0.000 -0.000) 0.000 13.157 ( 0.000 0.000 -0.000) 0.000 13.157 ( 0.000 0.000 -0.000) 0.000 13.255 ( 0.000 0.000 -0.000) 0.000 13.255 ( 0.000 0.000 0.000) 0.000 14.370 ( 0.000 -0.000 0.000) 0.000 14.370 ( 0.000 0.000 0.000) 0.000 14.412 ( 0.000 -0.000 -0.000) 0.000 14.412 ( 0.000 0.000 -0.000) 0.000 15.277 ( -0.000 0.000 -0.000) 0.000 15.277 ( -0.000 0.000 0.000) 0.000 15.330 ( 0.000 0.000 -0.000) 0.000 15.330 ( 0.000 0.000 -0.000) 0.000 15.950 ( 0.000 0.000 -0.000) 0.000 15.950 ( 0.000 0.000 0.000) 0.000 16.073 ( 0.000 0.000 -0.000) 0.000 16.073 ( 0.000 0.000 -0.000) 0.000 16.325 ( 0.000 0.000 -0.000) 0.000 16.325 ( 0.000 0.000 0.000) 0.000 16.609 ( 0.000 0.000 -0.000) 0.000 16.609 ( 0.000 0.000 -0.000) 0.000 17.038 ( -0.000 -0.000 -0.000) 0.000 17.038 ( 0.000 -0.000 0.000) 0.000 17.124 ( 0.000 0.000 -0.000) 0.000 17.124 ( 0.000 0.000 -0.000) 0.000 17.883 ( 0.000 0.000 -0.000) 0.000 17.883 ( 0.000 0.000 -0.000) 0.000 18.131 ( 0.000 0.000 -0.000) 0.000 18.131 ( 0.000 0.000 -0.000) 0.000 21.710 ( 0.000 0.000 -0.000) 0.000 21.710 ( 0.000 0.000 -0.000) 0.000 21.857 ( 0.000 0.000 -0.000) 0.000 21.857 ( 0.000 0.000 0.000) 0.000 27.594 ( -0.000 0.000 -0.000) 0.000 27.594 ( 0.000 0.000 0.000) 0.000 27.659 ( 0.000 0.000 -0.000) 0.000 27.659 ( 0.000 0.000 0.000) 0.000 29.232 ( 0.000 0.000 -0.000) 0.000 29.232 ( 0.000 0.000 -0.000) 0.000 29.349 ( 0.000 0.000 -0.000) 0.000 29.349 ( 0.000 0.000 -0.000) 0.000 30.306 ( 0.000 0.000 -0.000) 0.000 30.306 ( 0.000 0.000 -0.000) 0.000 30.397 ( 0.000 0.000 -0.000) 0.000 30.397 ( 0.000 0.000 0.000) 0.000 31.770 ( 0.000 -0.000 -0.000) 0.000 31.770 ( 0.000 0.000 -0.000) 0.000 31.785 ( -0.000 0.000 0.000) 0.000 31.785 ( -0.000 0.000 0.000) 0.000 32.425 ( 0.000 0.000 -0.000) 0.000 32.425 ( 0.000 0.000 0.000) 0.000 32.458 ( 0.000 0.000 -0.000) 0.000 32.458 ( 0.000 0.000 0.000) 0.000 33.482 ( 0.000 0.000 -0.000) 0.000 33.482 ( 0.000 0.000 0.000) 0.000 33.740 ( 0.000 -0.000 -0.000) 0.000 33.740 ( 0.000 0.000 -0.000) 0.000 34.047 ( 0.000 0.000 -0.000) 0.000 34.047 ( 0.000 0.000 -0.000) 0.000 34.458 ( 0.000 0.000 -0.000) 0.000 34.458 ( 0.000 0.000 0.000) 0.000 =================== 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 3/31680 10.0 627.687 869.183 668.166 0.000 -14.997 0.000 3/31680 20.0 111.781 116.430 82.483 0.000 -3.331 0.000 3/31680 30.0 41.065 37.449 26.039 0.000 -1.807 0.000 3/31680 40.0 22.249 19.138 13.419 0.000 -1.071 0.000 3/31680 50.0 14.637 12.330 8.712 0.000 -0.722 0.000 3/31680 60.0 10.750 9.002 6.401 0.000 -0.537 0.000 3/31680 70.0 8.453 7.077 5.059 0.000 -0.426 0.000 3/31680 80.0 6.953 5.835 4.188 0.000 -0.354 0.000 3/31680 90.0 5.905 4.972 3.580 0.000 -0.303 0.000 3/31680 100.0 5.134 4.339 3.131 0.000 -0.265 0.000 3/31680 110.0 4.543 3.855 2.786 0.000 -0.236 0.000 3/31680 120.0 4.077 3.474 2.512 0.000 -0.213 0.000 3/31680 130.0 3.701 3.166 2.290 0.000 -0.194 0.000 3/31680 140.0 3.390 2.911 2.106 0.000 -0.178 0.000 3/31680 150.0 3.129 2.698 1.950 0.000 -0.165 0.000 3/31680 160.0 2.908 2.515 1.817 0.000 -0.153 0.000 3/31680 170.0 2.717 2.358 1.702 0.000 -0.144 0.000 3/31680 180.0 2.551 2.221 1.602 0.000 -0.135 0.000 3/31680 190.0 2.405 2.100 1.513 0.000 -0.127 0.000 3/31680 200.0 2.276 1.992 1.435 0.000 -0.120 0.000 3/31680 210.0 2.162 1.896 1.364 0.000 -0.114 0.000 3/31680 220.0 2.059 1.810 1.301 0.000 -0.108 0.000 3/31680 230.0 1.967 1.732 1.243 0.000 -0.103 0.000 3/31680 240.0 1.883 1.660 1.191 0.000 -0.099 0.000 3/31680 250.0 1.807 1.595 1.143 0.000 -0.094 0.000 3/31680 260.0 1.738 1.536 1.100 0.000 -0.090 0.000 3/31680 270.0 1.674 1.481 1.060 0.000 -0.087 0.000 3/31680 280.0 1.616 1.430 1.022 0.000 -0.083 0.000 3/31680 290.0 1.562 1.382 0.988 0.000 -0.080 0.000 3/31680 300.0 1.511 1.338 0.956 0.000 -0.077 0.000 3/31680 310.0 1.465 1.297 0.926 0.000 -0.074 0.000 3/31680 320.0 1.421 1.259 0.898 0.000 -0.071 0.000 3/31680 330.0 1.381 1.223 0.872 0.000 -0.069 0.000 3/31680 340.0 1.343 1.189 0.848 0.000 -0.067 0.000 3/31680 350.0 1.307 1.157 0.825 0.000 -0.064 0.000 3/31680 360.0 1.274 1.127 0.803 0.000 -0.062 0.000 3/31680 370.0 1.242 1.099 0.782 0.000 -0.060 0.000 3/31680 380.0 1.212 1.072 0.763 0.000 -0.059 0.000 3/31680 390.0 1.183 1.046 0.745 0.000 -0.057 0.000 3/31680 400.0 1.156 1.022 0.727 0.000 -0.055 0.000 3/31680 410.0 1.131 0.999 0.710 0.000 -0.054 0.000 3/31680 420.0 1.106 0.977 0.694 0.000 -0.052 0.000 3/31680 430.0 1.083 0.956 0.679 0.000 -0.051 0.000 3/31680 440.0 1.061 0.936 0.665 0.000 -0.049 0.000 3/31680 450.0 1.039 0.917 0.651 0.000 -0.048 0.000 3/31680 460.0 1.019 0.898 0.638 0.000 -0.047 0.000 3/31680 470.0 1.000 0.880 0.625 0.000 -0.046 0.000 3/31680 480.0 0.981 0.863 0.613 0.000 -0.045 0.000 3/31680 490.0 0.963 0.847 0.601 0.000 -0.043 0.000 3/31680 500.0 0.945 0.831 0.590 0.000 -0.042 0.000 3/31680 510.0 0.929 0.816 0.579 0.000 -0.041 0.000 3/31680 520.0 0.913 0.802 0.569 0.000 -0.041 0.000 3/31680 530.0 0.897 0.788 0.559 0.000 -0.040 0.000 3/31680 540.0 0.882 0.774 0.549 0.000 -0.039 0.000 3/31680 550.0 0.868 0.761 0.540 0.000 -0.038 0.000 3/31680 560.0 0.854 0.749 0.531 0.000 -0.037 0.000 3/31680 570.0 0.840 0.736 0.522 0.000 -0.036 0.000 3/31680 580.0 0.827 0.725 0.514 0.000 -0.036 0.000 3/31680 590.0 0.814 0.713 0.505 0.000 -0.035 0.000 3/31680 600.0 0.802 0.702 0.498 0.000 -0.034 0.000 3/31680 610.0 0.790 0.691 0.490 0.000 -0.034 0.000 3/31680 620.0 0.779 0.681 0.483 0.000 -0.033 0.000 3/31680 630.0 0.767 0.671 0.475 0.000 -0.032 0.000 3/31680 640.0 0.756 0.661 0.468 0.000 -0.032 0.000 3/31680 650.0 0.746 0.652 0.462 0.000 -0.031 0.000 3/31680 660.0 0.736 0.642 0.455 0.000 -0.031 0.000 3/31680 670.0 0.726 0.633 0.449 0.000 -0.030 0.000 3/31680 680.0 0.716 0.625 0.442 0.000 -0.030 0.000 3/31680 690.0 0.706 0.616 0.436 0.000 -0.029 0.000 3/31680 700.0 0.697 0.608 0.430 0.000 -0.029 0.000 3/31680 710.0 0.688 0.600 0.425 0.000 -0.028 0.000 3/31680 720.0 0.679 0.592 0.419 0.000 -0.028 0.000 3/31680 730.0 0.671 0.584 0.414 0.000 -0.027 0.000 3/31680 740.0 0.662 0.577 0.408 0.000 -0.027 0.000 3/31680 750.0 0.654 0.570 0.403 0.000 -0.026 0.000 3/31680 760.0 0.646 0.562 0.398 0.000 -0.026 0.000 3/31680 770.0 0.638 0.556 0.393 0.000 -0.026 0.000 3/31680 780.0 0.631 0.549 0.388 0.000 -0.025 0.000 3/31680 790.0 0.623 0.542 0.384 0.000 -0.025 0.000 3/31680 800.0 0.616 0.536 0.379 0.000 -0.025 0.000 3/31680 810.0 0.609 0.530 0.375 0.000 -0.024 0.000 3/31680 820.0 0.602 0.523 0.370 0.000 -0.024 0.000 3/31680 830.0 0.596 0.517 0.366 0.000 -0.024 0.000 3/31680 840.0 0.589 0.512 0.362 0.000 -0.023 0.000 3/31680 850.0 0.582 0.506 0.358 0.000 -0.023 0.000 3/31680 860.0 0.576 0.500 0.354 0.000 -0.023 0.000 3/31680 870.0 0.570 0.495 0.350 0.000 -0.022 0.000 3/31680 880.0 0.564 0.489 0.346 0.000 -0.022 0.000 3/31680 890.0 0.558 0.484 0.343 0.000 -0.022 0.000 3/31680 900.0 0.552 0.479 0.339 0.000 -0.022 0.000 3/31680 910.0 0.546 0.474 0.335 0.000 -0.021 0.000 3/31680 920.0 0.541 0.469 0.332 0.000 -0.021 0.000 3/31680 930.0 0.535 0.464 0.328 0.000 -0.021 0.000 3/31680 940.0 0.530 0.460 0.325 0.000 -0.021 0.000 3/31680 950.0 0.525 0.455 0.322 0.000 -0.020 0.000 3/31680 960.0 0.520 0.450 0.319 0.000 -0.020 0.000 3/31680 970.0 0.515 0.446 0.315 0.000 -0.020 0.000 3/31680 980.0 0.510 0.442 0.312 0.000 -0.020 0.000 3/31680 990.0 0.505 0.437 0.309 0.000 -0.019 0.000 3/31680 1000.0 0.500 0.433 0.306 0.000 -0.019 0.000 3/31680 Thermal conductivity related properties were written into "kappa-m1064.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 05:09:51]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|