----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-07 21:49:49]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [1 1 2] 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 12.296097490148199 0.000000000000000 0.000000000000000 b 0.000000000000000 11.029316910000002 0.000000000000000 c -1.099731050560895 0.000000000000000 5.385159579401043 Atomic positions (fractional): *1 B 0.98962612542200 0.38094213272732 0.14785540628547 10.811 *2 B 0.50838246427766 0.62378556777570 0.87218538702426 10.811 3 B 0.49161753572234 0.12378556777570 0.62781461297574 10.811 4 B 0.49161753572234 0.37621443222430 0.12781461297574 10.811 5 B 0.50838246427766 0.87621443222430 0.37218538702426 10.811 6 B 0.01037387457800 0.88094213272732 0.35214459371453 10.811 7 B 0.01037387457800 0.61905786727268 0.85214459371453 10.811 8 B 0.98962612542200 0.11905786727268 0.64785540628547 10.811 *9 B 0.67218949073823 0.61645992196412 0.21070459566023 10.811 10 B 0.32781050926177 0.11645992196412 0.28929540433977 10.811 11 B 0.32781050926177 0.38354007803588 0.78929540433977 10.811 12 B 0.67218949073823 0.88354007803588 0.71070459566023 10.811 *13 B 0.82677260026193 0.37511310667044 0.79774538386484 10.811 14 B 0.17322739973807 0.87511310667044 0.70225461613516 10.811 15 B 0.17322739973807 0.62488689332956 0.20225461613516 10.811 16 B 0.82677260026193 0.12488689332956 0.29774538386484 10.811 *17 O 0.59637691106020 0.33019422087345 0.18756801985440 15.999 *18 O 0.06991059187002 0.58104458812011 0.68330473368191 15.999 19 O 0.06991059187002 0.91895541187989 0.18330473368191 15.999 20 O 0.93008940812998 0.41895541187988 0.31669526631809 15.999 *21 O 0.56683573457051 0.90702001319040 0.19511610149253 15.999 22 O 0.43316426542949 0.40702001319040 0.30488389850747 15.999 23 O 0.43316426542949 0.09297998680960 0.80488389850747 15.999 24 O 0.56683573457051 0.59297998680960 0.69511610149253 15.999 *25 O 0.90348371172426 0.84147396349835 0.28239334570013 15.999 26 O 0.09651628827574 0.34147396349835 0.21760665429987 15.999 27 O 0.09651628827574 0.15852603650165 0.71760665429987 15.999 28 O 0.93008940812998 0.08104458812012 0.81669526631809 15.999 29 O 0.90348371172426 0.65852603650165 0.78239334570013 15.999 30 O 0.59637691106020 0.16980577912655 0.68756801985440 15.999 31 O 0.40362308893980 0.66980577912655 0.81243198014560 15.999 32 O 0.40362308893980 0.83019422087345 0.31243198014560 15.999 *33 O 0.78233408767671 0.19887606969304 0.10434205140660 15.999 34 O 0.21766591232329 0.69887606969304 0.39565794859340 15.999 35 O 0.21766591232329 0.80112393030696 0.89565794859340 15.999 36 O 0.78233408767671 0.30112393030696 0.60434205140660 15.999 *37 O 0.73118851528111 0.80386727713334 0.59631053240719 15.999 38 O 0.26881148471889 0.30386727713334 0.90368946759281 15.999 39 O 0.26881148471889 0.19613272286666 0.40368946759281 15.999 40 O 0.73118851528111 0.69613272286666 0.09631053240719 15.999 *41 O 0.76007002030566 0.04964364000155 0.40246808100665 15.999 42 O 0.23992997969434 0.54964364000155 0.09753191899335 15.999 43 O 0.23992997969434 0.95035635999845 0.59753191899335 15.999 44 O 0.76007002030566 0.45035635999845 0.90246808100665 15.999 *45 O 0.72553723460649 0.95668953822788 0.89942329354927 15.999 46 O 0.27446276539351 0.45668953822788 0.60057670645073 15.999 47 O 0.27446276539351 0.04331046177212 0.10057670645073 15.999 48 O 0.72553723460649 0.54331046177212 0.39942329354927 15.999 *49 O 0.94315741493812 0.12831318218436 0.39000333350547 15.999 50 O 0.05684258506188 0.62831318218436 0.10999666649453 15.999 51 O 0.05684258506188 0.87168681781564 0.60999666649453 15.999 52 O 0.94315741493812 0.37168681781564 0.89000333350547 15.999 *53 O 0.55596047536412 0.89013010692601 0.62942538987527 15.999 54 O 0.44403952463588 0.39013010692601 0.87057461012473 15.999 55 O 0.55596047536412 0.60986989307399 0.12942538987527 15.999 56 O 0.44403952463588 0.10986989307399 0.37057461012473 15.999 *57 Mg 0.73579656259994 0.62742124879911 0.74630106489877 24.305 58 Mg 0.26420343740006 0.12742124879911 0.75369893510123 24.305 59 Mg 0.26420343740006 0.37257875120089 0.25369893510123 24.305 60 Mg 0.73579656259994 0.87257875120089 0.24630106489877 24.305 *61 Mg 0.76279470297752 0.37221753703488 0.25112473889669 24.305 62 Mg 0.23720529702248 0.87221753703488 0.24887526110331 24.305 63 Mg 0.23720529702248 0.62778246296512 0.74887526110331 24.305 64 Mg 0.76279470297752 0.12778246296512 0.75112473889669 24.305 *65 Ca 0.59396913246132 0.38165375079451 0.62639729304863 40.078 66 Ca 0.40603086753868 0.88165375079451 0.87360270695137 40.078 67 Ca 0.40603086753868 0.61834624920549 0.37360270695137 40.078 68 Ca 0.59396913246132 0.11834624920549 0.12639729304863 40.078 *69 Ca 0.90936337379842 0.62732041099751 0.34867146168000 40.078 70 Ca 0.09063662620158 0.12732041099751 0.15132853832000 40.078 71 Ca 0.09063662620158 0.37267958900249 0.65132853832000 40.078 72 Ca 0.90936337379842 0.87267958900249 0.84867146168000 40.078 -------------------------------- unit cell --------------------------------- Lattice vectors: a 12.296097490148199 0.000000000000000 0.000000000000000 b 0.000000000000000 11.029316910000002 0.000000000000000 c -1.099731050560895 0.000000000000000 5.385159579401043 Atomic positions (fractional): *1 B 0.98962612542200 0.38094213272732 0.14785540628547 10.811 > 1 *2 B 0.50838246427766 0.62378556777570 0.87218538702426 10.811 > 2 3 B 0.49161753572234 0.12378556777570 0.62781461297574 10.811 > 3 4 B 0.49161753572234 0.37621443222430 0.12781461297574 10.811 > 4 5 B 0.50838246427766 0.87621443222430 0.37218538702426 10.811 > 5 6 B 0.01037387457800 0.88094213272732 0.35214459371453 10.811 > 6 7 B 0.01037387457800 0.61905786727268 0.85214459371453 10.811 > 7 8 B 0.98962612542200 0.11905786727268 0.64785540628547 10.811 > 8 *9 B 0.67218949073823 0.61645992196412 0.21070459566023 10.811 > 9 10 B 0.32781050926177 0.11645992196412 0.28929540433977 10.811 > 10 11 B 0.32781050926177 0.38354007803588 0.78929540433977 10.811 > 11 12 B 0.67218949073823 0.88354007803588 0.71070459566023 10.811 > 12 *13 B 0.82677260026193 0.37511310667044 0.79774538386484 10.811 > 13 14 B 0.17322739973807 0.87511310667044 0.70225461613516 10.811 > 14 15 B 0.17322739973807 0.62488689332956 0.20225461613516 10.811 > 15 16 B 0.82677260026193 0.12488689332956 0.29774538386484 10.811 > 16 *17 O 0.59637691106020 0.33019422087345 0.18756801985440 15.999 > 17 *18 O 0.06991059187002 0.58104458812011 0.68330473368191 15.999 > 18 19 O 0.06991059187002 0.91895541187989 0.18330473368191 15.999 > 19 20 O 0.93008940812998 0.41895541187988 0.31669526631809 15.999 > 20 *21 O 0.56683573457051 0.90702001319040 0.19511610149253 15.999 > 21 22 O 0.43316426542949 0.40702001319040 0.30488389850747 15.999 > 22 23 O 0.43316426542949 0.09297998680960 0.80488389850747 15.999 > 23 24 O 0.56683573457051 0.59297998680960 0.69511610149253 15.999 > 24 *25 O 0.90348371172426 0.84147396349835 0.28239334570013 15.999 > 25 26 O 0.09651628827574 0.34147396349835 0.21760665429987 15.999 > 26 27 O 0.09651628827574 0.15852603650165 0.71760665429987 15.999 > 27 28 O 0.93008940812998 0.08104458812012 0.81669526631809 15.999 > 28 29 O 0.90348371172426 0.65852603650165 0.78239334570013 15.999 > 29 30 O 0.59637691106020 0.16980577912655 0.68756801985440 15.999 > 30 31 O 0.40362308893980 0.66980577912655 0.81243198014560 15.999 > 31 32 O 0.40362308893980 0.83019422087345 0.31243198014560 15.999 > 32 *33 O 0.78233408767671 0.19887606969304 0.10434205140660 15.999 > 33 34 O 0.21766591232329 0.69887606969304 0.39565794859340 15.999 > 34 35 O 0.21766591232329 0.80112393030696 0.89565794859340 15.999 > 35 36 O 0.78233408767671 0.30112393030696 0.60434205140660 15.999 > 36 *37 O 0.73118851528111 0.80386727713334 0.59631053240719 15.999 > 37 38 O 0.26881148471889 0.30386727713334 0.90368946759281 15.999 > 38 39 O 0.26881148471889 0.19613272286666 0.40368946759281 15.999 > 39 40 O 0.73118851528111 0.69613272286666 0.09631053240719 15.999 > 40 *41 O 0.76007002030566 0.04964364000155 0.40246808100665 15.999 > 41 42 O 0.23992997969434 0.54964364000155 0.09753191899335 15.999 > 42 43 O 0.23992997969434 0.95035635999845 0.59753191899335 15.999 > 43 44 O 0.76007002030566 0.45035635999845 0.90246808100665 15.999 > 44 *45 O 0.72553723460649 0.95668953822788 0.89942329354927 15.999 > 45 46 O 0.27446276539351 0.45668953822788 0.60057670645073 15.999 > 46 47 O 0.27446276539351 0.04331046177212 0.10057670645073 15.999 > 47 48 O 0.72553723460649 0.54331046177212 0.39942329354927 15.999 > 48 *49 O 0.94315741493812 0.12831318218436 0.39000333350547 15.999 > 49 50 O 0.05684258506188 0.62831318218436 0.10999666649453 15.999 > 50 51 O 0.05684258506188 0.87168681781564 0.60999666649453 15.999 > 51 52 O 0.94315741493812 0.37168681781564 0.89000333350547 15.999 > 52 *53 O 0.55596047536412 0.89013010692601 0.62942538987527 15.999 > 53 54 O 0.44403952463588 0.39013010692601 0.87057461012473 15.999 > 54 55 O 0.55596047536412 0.60986989307399 0.12942538987527 15.999 > 55 56 O 0.44403952463588 0.10986989307399 0.37057461012473 15.999 > 56 *57 Mg 0.73579656259994 0.62742124879911 0.74630106489877 24.305 > 57 58 Mg 0.26420343740006 0.12742124879911 0.75369893510123 24.305 > 58 59 Mg 0.26420343740006 0.37257875120089 0.25369893510123 24.305 > 59 60 Mg 0.73579656259994 0.87257875120089 0.24630106489877 24.305 > 60 *61 Mg 0.76279470297752 0.37221753703488 0.25112473889669 24.305 > 61 62 Mg 0.23720529702248 0.87221753703488 0.24887526110331 24.305 > 62 63 Mg 0.23720529702248 0.62778246296512 0.74887526110331 24.305 > 63 64 Mg 0.76279470297752 0.12778246296512 0.75112473889669 24.305 > 64 *65 Ca 0.59396913246132 0.38165375079451 0.62639729304863 40.078 > 65 66 Ca 0.40603086753868 0.88165375079451 0.87360270695137 40.078 > 66 67 Ca 0.40603086753868 0.61834624920549 0.37360270695137 40.078 > 67 68 Ca 0.59396913246132 0.11834624920549 0.12639729304863 40.078 > 68 *69 Ca 0.90936337379842 0.62732041099751 0.34867146168000 40.078 > 69 70 Ca 0.09063662620158 0.12732041099751 0.15132853832000 40.078 > 70 71 Ca 0.09063662620158 0.37267958900249 0.65132853832000 40.078 > 71 72 Ca 0.90936337379842 0.87267958900249 0.84867146168000 40.078 > 72 -------------------------------- super cell -------------------------------- Lattice vectors: a 12.296097490148199 0.000000000000000 0.000000000000000 b 0.000000000000000 11.029316910000002 0.000000000000000 c -2.199462101121790 0.000000000000000 10.770319158802087 Atomic positions (fractional): *1 B 0.98962612542200 0.38094213272732 0.07392770314274 10.811 > 1 2 B 0.98962612542200 0.38094213272732 0.57392770314274 10.811 > 1 *3 B 0.50838246427766 0.62378556777570 0.43609269351213 10.811 > 2 4 B 0.50838246427766 0.62378556777570 0.93609269351213 10.811 > 2 5 B 0.49161753572234 0.12378556777570 0.31390730648787 10.811 > 3 6 B 0.49161753572234 0.12378556777570 0.81390730648787 10.811 > 3 7 B 0.49161753572234 0.37621443222430 0.06390730648787 10.811 > 4 8 B 0.49161753572234 0.37621443222430 0.56390730648787 10.811 > 4 9 B 0.50838246427766 0.87621443222430 0.18609269351213 10.811 > 5 10 B 0.50838246427766 0.87621443222430 0.68609269351213 10.811 > 5 11 B 0.01037387457800 0.88094213272732 0.17607229685726 10.811 > 6 12 B 0.01037387457800 0.88094213272732 0.67607229685726 10.811 > 6 13 B 0.01037387457800 0.61905786727268 0.42607229685726 10.811 > 7 14 B 0.01037387457800 0.61905786727268 0.92607229685726 10.811 > 7 15 B 0.98962612542200 0.11905786727268 0.32392770314274 10.811 > 8 16 B 0.98962612542200 0.11905786727268 0.82392770314274 10.811 > 8 *17 B 0.67218949073823 0.61645992196412 0.10535229783012 10.811 > 9 18 B 0.67218949073823 0.61645992196412 0.60535229783012 10.811 > 9 19 B 0.32781050926177 0.11645992196412 0.14464770216988 10.811 > 10 20 B 0.32781050926177 0.11645992196412 0.64464770216988 10.811 > 10 21 B 0.32781050926177 0.38354007803588 0.39464770216988 10.811 > 11 22 B 0.32781050926177 0.38354007803588 0.89464770216988 10.811 > 11 23 B 0.67218949073823 0.88354007803588 0.35535229783012 10.811 > 12 24 B 0.67218949073823 0.88354007803588 0.85535229783012 10.811 > 12 *25 B 0.82677260026193 0.37511310667044 0.39887269193242 10.811 > 13 26 B 0.82677260026193 0.37511310667044 0.89887269193242 10.811 > 13 27 B 0.17322739973807 0.87511310667044 0.35112730806758 10.811 > 14 28 B 0.17322739973807 0.87511310667044 0.85112730806758 10.811 > 14 29 B 0.17322739973807 0.62488689332956 0.10112730806758 10.811 > 15 30 B 0.17322739973807 0.62488689332956 0.60112730806758 10.811 > 15 31 B 0.82677260026193 0.12488689332956 0.14887269193242 10.811 > 16 32 B 0.82677260026193 0.12488689332956 0.64887269193242 10.811 > 16 *33 O 0.59637691106020 0.33019422087345 0.09378400992720 15.999 > 17 34 O 0.59637691106020 0.33019422087345 0.59378400992720 15.999 > 17 *35 O 0.06991059187002 0.58104458812011 0.34165236684096 15.999 > 18 36 O 0.06991059187002 0.58104458812011 0.84165236684096 15.999 > 18 37 O 0.06991059187002 0.91895541187989 0.09165236684096 15.999 > 19 38 O 0.06991059187002 0.91895541187989 0.59165236684096 15.999 > 19 39 O 0.93008940812998 0.41895541187988 0.15834763315904 15.999 > 20 40 O 0.93008940812998 0.41895541187988 0.65834763315904 15.999 > 20 *41 O 0.56683573457051 0.90702001319040 0.09755805074627 15.999 > 21 42 O 0.56683573457051 0.90702001319040 0.59755805074627 15.999 > 21 43 O 0.43316426542949 0.40702001319040 0.15244194925373 15.999 > 22 44 O 0.43316426542949 0.40702001319040 0.65244194925373 15.999 > 22 45 O 0.43316426542949 0.09297998680960 0.40244194925373 15.999 > 23 46 O 0.43316426542949 0.09297998680960 0.90244194925373 15.999 > 23 47 O 0.56683573457051 0.59297998680960 0.34755805074627 15.999 > 24 48 O 0.56683573457051 0.59297998680960 0.84755805074627 15.999 > 24 *49 O 0.90348371172426 0.84147396349835 0.14119667285007 15.999 > 25 50 O 0.90348371172426 0.84147396349835 0.64119667285007 15.999 > 25 51 O 0.09651628827574 0.34147396349835 0.10880332714993 15.999 > 26 52 O 0.09651628827574 0.34147396349835 0.60880332714993 15.999 > 26 53 O 0.09651628827574 0.15852603650165 0.35880332714993 15.999 > 27 54 O 0.09651628827574 0.15852603650165 0.85880332714993 15.999 > 27 55 O 0.93008940812998 0.08104458812012 0.40834763315904 15.999 > 28 56 O 0.93008940812998 0.08104458812012 0.90834763315904 15.999 > 28 57 O 0.90348371172426 0.65852603650165 0.39119667285007 15.999 > 29 58 O 0.90348371172426 0.65852603650165 0.89119667285007 15.999 > 29 59 O 0.59637691106020 0.16980577912655 0.34378400992720 15.999 > 30 60 O 0.59637691106020 0.16980577912655 0.84378400992720 15.999 > 30 61 O 0.40362308893980 0.66980577912655 0.40621599007280 15.999 > 31 62 O 0.40362308893980 0.66980577912655 0.90621599007280 15.999 > 31 63 O 0.40362308893980 0.83019422087345 0.15621599007280 15.999 > 32 64 O 0.40362308893980 0.83019422087345 0.65621599007280 15.999 > 32 *65 O 0.78233408767671 0.19887606969304 0.05217102570330 15.999 > 33 66 O 0.78233408767671 0.19887606969304 0.55217102570330 15.999 > 33 67 O 0.21766591232329 0.69887606969304 0.19782897429670 15.999 > 34 68 O 0.21766591232329 0.69887606969304 0.69782897429670 15.999 > 34 69 O 0.21766591232329 0.80112393030696 0.44782897429670 15.999 > 35 70 O 0.21766591232329 0.80112393030696 0.94782897429670 15.999 > 35 71 O 0.78233408767671 0.30112393030696 0.30217102570330 15.999 > 36 72 O 0.78233408767671 0.30112393030696 0.80217102570330 15.999 > 36 *73 O 0.73118851528111 0.80386727713334 0.29815526620360 15.999 > 37 74 O 0.73118851528111 0.80386727713334 0.79815526620360 15.999 > 37 75 O 0.26881148471889 0.30386727713334 0.45184473379640 15.999 > 38 76 O 0.26881148471889 0.30386727713334 0.95184473379640 15.999 > 38 77 O 0.26881148471889 0.19613272286666 0.20184473379640 15.999 > 39 78 O 0.26881148471889 0.19613272286666 0.70184473379640 15.999 > 39 79 O 0.73118851528111 0.69613272286666 0.04815526620359 15.999 > 40 80 O 0.73118851528111 0.69613272286666 0.54815526620360 15.999 > 40 *81 O 0.76007002030566 0.04964364000155 0.20123404050332 15.999 > 41 82 O 0.76007002030566 0.04964364000155 0.70123404050333 15.999 > 41 83 O 0.23992997969434 0.54964364000155 0.04876595949667 15.999 > 42 84 O 0.23992997969434 0.54964364000155 0.54876595949667 15.999 > 42 85 O 0.23992997969434 0.95035635999845 0.29876595949668 15.999 > 43 86 O 0.23992997969434 0.95035635999845 0.79876595949667 15.999 > 43 87 O 0.76007002030566 0.45035635999845 0.45123404050332 15.999 > 44 88 O 0.76007002030566 0.45035635999845 0.95123404050333 15.999 > 44 *89 O 0.72553723460649 0.95668953822788 0.44971164677464 15.999 > 45 90 O 0.72553723460649 0.95668953822788 0.94971164677464 15.999 > 45 91 O 0.27446276539351 0.45668953822788 0.30028835322536 15.999 > 46 92 O 0.27446276539351 0.45668953822788 0.80028835322536 15.999 > 46 93 O 0.27446276539351 0.04331046177212 0.05028835322536 15.999 > 47 94 O 0.27446276539351 0.04331046177212 0.55028835322536 15.999 > 47 95 O 0.72553723460649 0.54331046177212 0.19971164677464 15.999 > 48 96 O 0.72553723460649 0.54331046177212 0.69971164677464 15.999 > 48 *97 O 0.94315741493812 0.12831318218436 0.19500166675274 15.999 > 49 98 O 0.94315741493812 0.12831318218436 0.69500166675274 15.999 > 49 99 O 0.05684258506188 0.62831318218436 0.05499833324726 15.999 > 50 100 O 0.05684258506188 0.62831318218436 0.55499833324726 15.999 > 50 101 O 0.05684258506188 0.87168681781564 0.30499833324726 15.999 > 51 102 O 0.05684258506188 0.87168681781564 0.80499833324726 15.999 > 51 103 O 0.94315741493812 0.37168681781564 0.44500166675274 15.999 > 52 104 O 0.94315741493812 0.37168681781564 0.94500166675274 15.999 > 52 *105 O 0.55596047536412 0.89013010692601 0.31471269493764 15.999 > 53 106 O 0.55596047536412 0.89013010692601 0.81471269493764 15.999 > 53 107 O 0.44403952463588 0.39013010692601 0.43528730506236 15.999 > 54 108 O 0.44403952463588 0.39013010692601 0.93528730506236 15.999 > 54 109 O 0.55596047536412 0.60986989307399 0.06471269493764 15.999 > 55 110 O 0.55596047536412 0.60986989307399 0.56471269493764 15.999 > 55 111 O 0.44403952463588 0.10986989307399 0.18528730506236 15.999 > 56 112 O 0.44403952463588 0.10986989307399 0.68528730506236 15.999 > 56 *113 Mg 0.73579656259994 0.62742124879911 0.37315053244938 24.305 > 57 114 Mg 0.73579656259994 0.62742124879911 0.87315053244938 24.305 > 57 115 Mg 0.26420343740006 0.12742124879911 0.37684946755062 24.305 > 58 116 Mg 0.26420343740006 0.12742124879911 0.87684946755062 24.305 > 58 117 Mg 0.26420343740006 0.37257875120089 0.12684946755062 24.305 > 59 118 Mg 0.26420343740006 0.37257875120089 0.62684946755062 24.305 > 59 119 Mg 0.73579656259994 0.87257875120089 0.12315053244938 24.305 > 60 120 Mg 0.73579656259994 0.87257875120089 0.62315053244939 24.305 > 60 *121 Mg 0.76279470297752 0.37221753703488 0.12556236944835 24.305 > 61 122 Mg 0.76279470297752 0.37221753703488 0.62556236944835 24.305 > 61 123 Mg 0.23720529702248 0.87221753703488 0.12443763055165 24.305 > 62 124 Mg 0.23720529702248 0.87221753703488 0.62443763055165 24.305 > 62 125 Mg 0.23720529702248 0.62778246296512 0.37443763055165 24.305 > 63 126 Mg 0.23720529702248 0.62778246296512 0.87443763055165 24.305 > 63 127 Mg 0.76279470297752 0.12778246296512 0.37556236944835 24.305 > 64 128 Mg 0.76279470297752 0.12778246296512 0.87556236944835 24.305 > 64 *129 Ca 0.59396913246132 0.38165375079451 0.31319864652432 40.078 > 65 130 Ca 0.59396913246132 0.38165375079451 0.81319864652432 40.078 > 65 131 Ca 0.40603086753868 0.88165375079451 0.43680135347568 40.078 > 66 132 Ca 0.40603086753868 0.88165375079451 0.93680135347568 40.078 > 66 133 Ca 0.40603086753868 0.61834624920549 0.18680135347568 40.078 > 67 134 Ca 0.40603086753868 0.61834624920549 0.68680135347568 40.078 > 67 135 Ca 0.59396913246132 0.11834624920549 0.06319864652432 40.078 > 68 136 Ca 0.59396913246132 0.11834624920549 0.56319864652432 40.078 > 68 *137 Ca 0.90936337379842 0.62732041099751 0.17433573084000 40.078 > 69 138 Ca 0.90936337379842 0.62732041099751 0.67433573084000 40.078 > 69 139 Ca 0.09063662620158 0.12732041099751 0.07566426916000 40.078 > 70 140 Ca 0.09063662620158 0.12732041099751 0.57566426916000 40.078 > 70 141 Ca 0.09063662620158 0.37267958900249 0.32566426916000 40.078 > 71 142 Ca 0.09063662620158 0.37267958900249 0.82566426916000 40.078 > 71 143 Ca 0.90936337379842 0.87267958900249 0.42433573084000 40.078 > 72 144 Ca 0.90936337379842 0.87267958900249 0.92433573084000 40.078 > 72 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.0858852 0.0000000 0.0624871 0.0000000 2.9052145 0.0000000 0.0624860 0.0000000 3.0587228 -------------------------- Born effective charges -------------------------- 1 B 2.3682881 -0.4574705 0.2772704 -0.6595437 1.1048583 0.1947378 0.0662147 0.1689456 2.5513793 2 B 2.3623482 -0.6017353 0.2250332 -0.7022715 1.1853897 -0.0227709 0.0173829 -0.0965416 2.5861720 3 B 2.3623482 0.6017353 0.2250332 0.7022715 1.1853897 0.0227709 0.0173829 0.0965416 2.5861720 4 B 2.3623482 -0.6017353 0.2250332 -0.7022715 1.1853897 -0.0227709 0.0173829 -0.0965416 2.5861720 5 B 2.3623482 0.6017353 0.2250332 0.7022715 1.1853897 0.0227709 0.0173829 0.0965416 2.5861720 6 B 2.3682881 0.4574705 0.2772704 0.6595437 1.1048583 -0.1947378 0.0662147 -0.1689456 2.5513793 7 B 2.3682881 -0.4574705 0.2772704 -0.6595437 1.1048583 0.1947378 0.0662147 0.1689456 2.5513793 8 B 2.3682881 0.4574705 0.2772704 0.6595437 1.1048583 -0.1947378 0.0662147 -0.1689456 2.5513793 9 B 2.5421492 0.2770758 0.3705849 0.2798215 1.7719370 -0.7102158 0.5334536 -0.7339054 1.9671852 10 B 2.5421492 -0.2770758 0.3705849 -0.2798215 1.7719370 0.7102158 0.5334536 0.7339054 1.9671852 11 B 2.5421492 0.2770758 0.3705849 0.2798215 1.7719370 -0.7102158 0.5334536 -0.7339054 1.9671852 12 B 2.5421492 -0.2770758 0.3705849 -0.2798215 1.7719370 0.7102158 0.5334536 0.7339054 1.9671852 13 B 2.5291739 -0.2582231 0.3370896 -0.1833908 1.7948131 0.7282006 0.5795904 0.6492285 2.0890615 14 B 2.5291739 0.2582231 0.3370896 0.1833908 1.7948131 -0.7282006 0.5795904 -0.6492285 2.0890615 15 B 2.5291739 -0.2582231 0.3370896 -0.1833908 1.7948131 0.7282006 0.5795904 0.6492285 2.0890615 16 B 2.5291739 0.2582231 0.3370896 0.1833908 1.7948131 -0.7282006 0.5795904 -0.6492285 2.0890615 17 O -2.1823928 0.3471957 -0.1993792 0.4589089 -1.6005027 -0.0383815 -0.1937474 0.0364649 -1.5384069 18 O -1.8662499 0.2546893 0.2083544 0.3324171 -1.5008134 -0.2839193 0.2620736 -0.1840876 -1.7697985 19 O -1.8662499 -0.2546893 0.2083544 -0.3324171 -1.5008134 0.2839193 0.2620736 0.1840876 -1.7697985 20 O -1.8662499 0.2546893 0.2083544 0.3324171 -1.5008134 -0.2839193 0.2620736 -0.1840876 -1.7697985 21 O -1.9267470 -0.2675410 0.2232571 -0.2674996 -1.3972719 0.1727402 0.3124283 0.2360398 -1.8701084 22 O -1.9267470 0.2675410 0.2232571 0.2674996 -1.3972719 -0.1727402 0.3124283 -0.2360398 -1.8701084 23 O -1.9267470 -0.2675410 0.2232571 -0.2674996 -1.3972719 0.1727402 0.3124283 0.2360398 -1.8701084 24 O -1.9267470 0.2675410 0.2232571 0.2674996 -1.3972719 -0.1727402 0.3124283 -0.2360398 -1.8701084 25 O -2.2339751 -0.3203931 -0.2253655 -0.3604303 -1.5198113 -0.0128062 -0.2081755 -0.0118931 -1.5918635 26 O -2.2339751 0.3203931 -0.2253655 0.3604303 -1.5198113 0.0128062 -0.2081755 0.0118931 -1.5918635 27 O -2.2339751 -0.3203931 -0.2253655 -0.3604303 -1.5198113 -0.0128062 -0.2081755 -0.0118931 -1.5918635 28 O -1.8662499 -0.2546893 0.2083544 -0.3324171 -1.5008134 0.2839193 0.2620736 0.1840876 -1.7697985 29 O -2.2339751 0.3203931 -0.2253655 0.3604303 -1.5198113 0.0128062 -0.2081755 0.0118931 -1.5918635 30 O -2.1823928 -0.3471957 -0.1993792 -0.4589089 -1.6005027 0.0383815 -0.1937474 -0.0364649 -1.5384069 31 O -2.1823928 0.3471957 -0.1993792 0.4589089 -1.6005027 -0.0383815 -0.1937474 0.0364649 -1.5384069 32 O -2.1823928 -0.3471957 -0.1993792 -0.4589089 -1.6005027 0.0383815 -0.1937474 -0.0364649 -1.5384069 33 O -1.4574605 0.0248686 -0.1454601 0.0227176 -1.7748699 0.3971463 -0.2134653 0.4291180 -2.0438880 34 O -1.4574605 -0.0248686 -0.1454601 -0.0227176 -1.7748699 -0.3971463 -0.2134653 -0.4291180 -2.0438880 35 O -1.4574605 0.0248686 -0.1454601 0.0227176 -1.7748699 0.3971463 -0.2134653 0.4291180 -2.0438880 36 O -1.4574605 -0.0248686 -0.1454601 -0.0227176 -1.7748699 -0.3971463 -0.2134653 -0.4291180 -2.0438880 37 O -1.7720284 0.3546058 0.1602737 0.3122542 -1.8060103 -0.2472932 0.1102246 -0.2431942 -1.6373273 38 O -1.7720284 -0.3546058 0.1602737 -0.3122542 -1.8060103 0.2472932 0.1102246 0.2431942 -1.6373273 39 O -1.7720284 0.3546058 0.1602737 0.3122542 -1.8060103 -0.2472932 0.1102246 -0.2431942 -1.6373273 40 O -1.7720284 -0.3546058 0.1602737 -0.3122542 -1.8060103 0.2472932 0.1102246 0.2431942 -1.6373273 41 O -1.8597297 -0.3499850 0.1203051 -0.4323793 -1.7608344 0.2262447 0.0633403 0.1900986 -1.6293405 42 O -1.8597297 0.3499850 0.1203051 0.4323793 -1.7608344 -0.2262447 0.0633403 -0.1900986 -1.6293405 43 O -1.8597297 -0.3499850 0.1203051 -0.4323793 -1.7608344 0.2262447 0.0633403 0.1900986 -1.6293405 44 O -1.8597297 0.3499850 0.1203051 0.4323793 -1.7608344 -0.2262447 0.0633403 -0.1900986 -1.6293405 45 O -1.5515168 -0.0371400 -0.1847504 -0.1024429 -1.7550065 -0.3893573 -0.1842049 -0.3926191 -1.9523971 46 O -1.5515168 0.0371400 -0.1847504 0.1024429 -1.7550065 0.3893573 -0.1842049 0.3926191 -1.9523971 47 O -1.5515168 -0.0371400 -0.1847504 -0.1024429 -1.7550065 -0.3893573 -0.1842049 -0.3926191 -1.9523971 48 O -1.5515168 0.0371400 -0.1847504 0.1024429 -1.7550065 0.3893573 -0.1842049 0.3926191 -1.9523971 49 O -2.0983585 -0.0062711 -0.5818932 0.0003932 -0.9179040 0.1290569 -0.5543420 0.1164665 -2.0896139 50 O -2.0983585 0.0062711 -0.5818932 -0.0003932 -0.9179040 -0.1290569 -0.5543420 -0.1164665 -2.0896139 51 O -2.0983585 -0.0062711 -0.5818932 0.0003932 -0.9179040 0.1290569 -0.5543420 0.1164665 -2.0896139 52 O -2.0983585 0.0062711 -0.5818932 -0.0003932 -0.9179040 -0.1290569 -0.5543420 -0.1164665 -2.0896139 53 O -2.1114839 -0.0253533 -0.5760968 0.0123605 -0.9397518 -0.1085453 -0.5686584 -0.2168030 -2.0210958 54 O -2.1114839 0.0253533 -0.5760968 -0.0123605 -0.9397518 0.1085453 -0.5686584 0.2168030 -2.0210958 55 O -2.1114839 0.0253533 -0.5760968 -0.0123605 -0.9397518 0.1085453 -0.5686584 0.2168030 -2.0210958 56 O -2.1114839 -0.0253533 -0.5760968 0.0123605 -0.9397518 -0.1085453 -0.5686584 -0.2168030 -2.0210958 57 Mg 2.2013574 -0.0106887 -0.0137621 0.0299444 2.1329794 -0.1494481 -0.0873209 0.0926813 2.0792270 58 Mg 2.2013574 0.0106887 -0.0137621 -0.0299444 2.1329794 0.1494481 -0.0873209 -0.0926813 2.0792270 59 Mg 2.2013574 -0.0106887 -0.0137621 0.0299444 2.1329794 -0.1494481 -0.0873209 0.0926813 2.0792270 60 Mg 2.2013574 0.0106887 -0.0137621 -0.0299444 2.1329794 0.1494481 -0.0873209 -0.0926813 2.0792270 61 Mg 2.1988747 0.0580658 -0.0549742 -0.0702022 2.0788637 0.1208670 -0.0561927 -0.1963935 2.0484915 62 Mg 2.1988747 -0.0580658 -0.0549742 0.0702022 2.0788637 -0.1208670 -0.0561927 0.1963935 2.0484915 63 Mg 2.1988747 0.0580658 -0.0549742 -0.0702022 2.0788637 0.1208670 -0.0561927 -0.1963935 2.0484915 64 Mg 2.1988747 -0.0580658 -0.0549742 0.0702022 2.0788637 -0.1208670 -0.0561927 0.1963935 2.0484915 65 Ca 2.4282716 0.0228488 0.0375149 -0.0440414 2.4305479 0.0093311 0.0657649 0.0489547 2.4145802 66 Ca 2.4282716 -0.0228488 0.0375149 0.0440414 2.4305479 -0.0093311 0.0657649 -0.0489547 2.4145802 67 Ca 2.4282716 0.0228488 0.0375149 -0.0440414 2.4305479 0.0093311 0.0657649 0.0489547 2.4145802 68 Ca 2.4282716 -0.0228488 0.0375149 0.0440414 2.4305479 -0.0093311 0.0657649 -0.0489547 2.4145802 69 Ca 2.4294795 -0.0008869 0.0219983 -0.0502287 2.4733870 -0.0041716 0.0556340 0.0194251 2.4077430 70 Ca 2.4294795 0.0008869 0.0219983 0.0502287 2.4733870 0.0041716 0.0556340 -0.0194251 2.4077430 71 Ca 2.4294795 -0.0008869 0.0219983 -0.0502287 2.4733870 -0.0041716 0.0556340 0.0194251 2.4077430 72 Ca 2.4294795 0.0008869 0.0219983 0.0502287 2.4733870 0.0041716 0.0556340 -0.0194251 2.4077430 ---------------------------------------------------------------------------- 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: 432/432 Permutation basis: 46872/46872 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 11826 Number of blocks in projector: 11826 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: 2592 Use submatrix version of eigh solver. (1) Block: 500 / 2592 (2) Block: 250 / 500 (2) 216 eigenvectors found. (2) Block: 500 / 500 (2) 214 eigenvectors found. (2) Complementary block size: 70 (2) Compute compressed projector. (2) Use standard solver. (2) 34 eigenvectors found. (1) 464 eigenvectors found. (1) Block: 1000 / 2592 (2) Block: 250 / 500 (2) 216 eigenvectors found. (2) Block: 500 / 500 (2) 218 eigenvectors found. (2) Complementary block size: 66 (2) Compute compressed projector. (2) Use standard solver. (2) 32 eigenvectors found. (1) 466 eigenvectors found. (1) Block: 1500 / 2592 (2) Block: 250 / 500 (2) 220 eigenvectors found. (2) Block: 500 / 500 (2) 224 eigenvectors found. (2) Complementary block size: 56 (2) Compute compressed projector. (2) Use standard solver. (2) 26 eigenvectors found. (1) 470 eigenvectors found. (1) Block: 2000 / 2592 (2) Block: 250 / 500 (2) 226 eigenvectors found. (2) Block: 500 / 500 (2) 230 eigenvectors found. (2) Complementary block size: 44 (2) Compute compressed projector. (2) Use standard solver. (2) 20 eigenvectors found. (1) 476 eigenvectors found. (1) Block: 2592 / 2592 (2) Block: 250 / 592 (2) 232 eigenvectors found. (2) Block: 500 / 592 (2) 229 eigenvectors found. (2) Block: 592 / 592 (2) 66 eigenvectors found. (2) Complementary block size: 65 (2) Compute compressed projector. (2) Use standard solver. (2) 32 eigenvectors found. (1) 559 eigenvectors found. (1) Complementary block size: 157 (1) Compute compressed projector. (1) Use standard solver. (1) 121 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 2592 Use submatrix version of eigh solver. (1) Block: 500 / 2592 (2) Block: 250 / 500 (2) 217 eigenvectors found. (2) Block: 500 / 500 (2) 217 eigenvectors found. (2) Complementary block size: 66 (2) Compute compressed projector. (2) Use standard solver. (2) 31 eigenvectors found. (1) 465 eigenvectors found. (1) Block: 1000 / 2592 (2) Block: 250 / 500 (2) 217 eigenvectors found. (2) Block: 500 / 500 (2) 219 eigenvectors found. (2) Complementary block size: 64 (2) Compute compressed projector. (2) Use standard solver. (2) 31 eigenvectors found. (1) 467 eigenvectors found. (1) Block: 1500 / 2592 (2) Block: 250 / 500 (2) 221 eigenvectors found. (2) Block: 500 / 500 (2) 225 eigenvectors found. (2) Complementary block size: 54 (2) Compute compressed projector. (2) Use standard solver. (2) 25 eigenvectors found. (1) 471 eigenvectors found. (1) Block: 2000 / 2592 (2) Block: 250 / 500 (2) 227 eigenvectors found. (2) Block: 500 / 500 (2) 229 eigenvectors found. (2) Complementary block size: 44 (2) Compute compressed projector. (2) Use standard solver. (2) 21 eigenvectors found. (1) 477 eigenvectors found. (1) Block: 2592 / 2592 (2) Block: 250 / 592 (2) 233 eigenvectors found. (2) Block: 500 / 592 (2) 237 eigenvectors found. (2) Block: 592 / 592 (2) 85 eigenvectors found. (2) Complementary block size: 37 (2) Compute compressed projector. (2) Use standard solver. (2) 20 eigenvectors found. (1) 575 eigenvectors found. (1) Complementary block size: 137 (1) Compute compressed projector. (1) Use standard solver. (1) 102 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 2592 Use submatrix version of eigh solver. (1) Block: 500 / 2592 (2) Block: 250 / 500 (2) 216 eigenvectors found. (2) Block: 500 / 500 (2) 214 eigenvectors found. (2) Complementary block size: 70 (2) Compute compressed projector. (2) Use standard solver. (2) 34 eigenvectors found. (1) 464 eigenvectors found. (1) Block: 1000 / 2592 (2) Block: 250 / 500 (2) 216 eigenvectors found. (2) Block: 500 / 500 (2) 218 eigenvectors found. (2) Complementary block size: 66 (2) Compute compressed projector. (2) Use standard solver. (2) 32 eigenvectors found. (1) 466 eigenvectors found. (1) Block: 1500 / 2592 (2) Block: 250 / 500 (2) 220 eigenvectors found. (2) Block: 500 / 500 (2) 224 eigenvectors found. (2) Complementary block size: 56 (2) Compute compressed projector. (2) Use standard solver. (2) 26 eigenvectors found. (1) 470 eigenvectors found. (1) Block: 2000 / 2592 (2) Block: 250 / 500 (2) 226 eigenvectors found. (2) Block: 500 / 500 (2) 230 eigenvectors found. (2) Complementary block size: 44 (2) Compute compressed projector. (2) Use standard solver. (2) 20 eigenvectors found. (1) 476 eigenvectors found. (1) Block: 2592 / 2592 (2) Block: 250 / 592 (2) 232 eigenvectors found. (2) Block: 500 / 592 (2) 229 eigenvectors found. (2) Block: 592 / 592 (2) 66 eigenvectors found. (2) Complementary block size: 65 (2) Compute compressed projector. (2) Use standard solver. (2) 32 eigenvectors found. (1) 559 eigenvectors found. (1) Complementary block size: 157 (1) Compute compressed projector. (1) Use standard solver. (1) 121 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 1350 Use submatrix version of eigh solver. (1) Block: 500 / 1350 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 233 eigenvectors found. (2) Complementary block size: 35 (2) Compute compressed projector. (2) Use standard solver. (2) 17 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 1000 / 1350 (2) Block: 250 / 500 (2) 235 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 27 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 485 eigenvectors found. (1) Block: 1350 / 1350 (1) 332 eigenvectors found. (1) Complementary block size: 51 (1) Compute compressed projector. (1) Use standard solver. (1) 33 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 1350 Use submatrix version of eigh solver. (1) Block: 500 / 1350 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 233 eigenvectors found. (2) Complementary block size: 35 (2) Compute compressed projector. (2) Use standard solver. (2) 17 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 1000 / 1350 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 1350 / 1350 (1) 332 eigenvectors found. (1) Complementary block size: 50 (1) Compute compressed projector. (1) Use standard solver. (1) 32 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 1350 Use submatrix version of eigh solver. (1) Block: 500 / 1350 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 233 eigenvectors found. (2) Complementary block size: 35 (2) Compute compressed projector. (2) Use standard solver. (2) 17 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 1000 / 1350 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 1350 / 1350 (1) 332 eigenvectors found. (1) Complementary block size: 50 (1) Compute compressed projector. (1) Use standard solver. (1) 32 eigenvectors found. Tree of FC basis block matrices: - (11826, 11665), data: False |-- (1350, 1332), data: False |-- (1350, 32), data: (1350, 50) @ (50, 32) |-- (350, 332), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), data: True |-- (500, 482), data: False |-- (500, 17), data: (500, 35) @ (35, 17) |-- (250, 233), data: True |-- (250, 232), data: True |-- (1350, 1332), data: False |-- (1350, 32), data: (1350, 50) @ (50, 32) |-- (350, 332), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), data: True |-- (500, 482), data: False |-- (500, 17), data: (500, 35) @ (35, 17) |-- (250, 233), data: True |-- (250, 232), data: True |-- (1350, 1332), data: False |-- (1350, 33), data: (1350, 51) @ (51, 33) |-- (350, 332), data: True |-- (500, 485), data: False |-- (500, 12), data: (500, 27) @ (27, 12) |-- (250, 238), data: True |-- (250, 235), data: True |-- (500, 482), data: False |-- (500, 17), data: (500, 35) @ (35, 17) |-- (250, 233), data: True |-- (250, 232), data: True |-- (2592, 2556), data: False |-- (2592, 121), data: (2592, 157) @ (157, 121) |-- (592, 559), data: False |-- (592, 32), data: (592, 65) @ (65, 32) |-- (92, 66), data: True |-- (250, 229), data: True |-- (250, 232), data: True |-- (500, 476), data: False |-- (500, 20), data: (500, 44) @ (44, 20) |-- (250, 230), data: True |-- (250, 226), data: True |-- (500, 470), data: False |-- (500, 26), data: (500, 56) @ (56, 26) |-- (250, 224), data: True |-- (250, 220), data: True |-- (500, 466), data: False |-- (500, 32), data: (500, 66) @ (66, 32) |-- (250, 218), data: True |-- (250, 216), data: True |-- (500, 464), data: False |-- (500, 34), data: (500, 70) @ (70, 34) |-- (250, 214), data: True |-- (250, 216), data: True |-- (2592, 2557), data: False |-- (2592, 102), data: (2592, 137) @ (137, 102) |-- (592, 575), data: False |-- (592, 20), data: (592, 37) @ (37, 20) |-- (92, 85), data: True |-- (250, 237), data: True |-- (250, 233), data: True |-- (500, 477), data: False |-- (500, 21), data: (500, 44) @ (44, 21) |-- (250, 229), data: True |-- (250, 227), data: True |-- (500, 471), data: False |-- (500, 25), data: (500, 54) @ (54, 25) |-- (250, 225), data: True |-- (250, 221), data: True |-- (500, 467), data: False |-- (500, 31), data: (500, 64) @ (64, 31) |-- (250, 219), data: True |-- (250, 217), data: True |-- (500, 465), data: False |-- (500, 31), data: (500, 66) @ (66, 31) |-- (250, 217), data: True |-- (250, 217), data: True |-- (2592, 2556), data: False |-- (2592, 121), data: (2592, 157) @ (157, 121) |-- (592, 559), data: False |-- (592, 32), data: (592, 65) @ (65, 32) |-- (92, 66), data: True |-- (250, 229), data: True |-- (250, 232), data: True |-- (500, 476), data: False |-- (500, 20), data: (500, 44) @ (44, 20) |-- (250, 230), data: True |-- (250, 226), data: True |-- (500, 470), data: False |-- (500, 26), data: (500, 56) @ (56, 26) |-- (250, 224), data: True |-- (250, 220), data: True |-- (500, 466), data: False |-- (500, 32), data: (500, 66) @ (66, 32) |-- (250, 218), data: True |-- (250, 216), data: True |-- (500, 464), data: False |-- (500, 34), data: (500, 70) @ (70, 34) |-- (250, 214), data: True |-- (250, 216), data: True ----- Solver_atoms: 1 -- 144 / 144 Time (Solver_compr_matrix_reshape): 0.005 Solver_block: 100 / 2160 - Time: 3.985 Solver_block: 200 / 2160 - Time: 3.416 Solver_block: 300 / 2160 - Time: 3.427 Solver_block: 400 / 2160 - Time: 3.421 Solver_block: 500 / 2160 - Time: 3.420 Solver_block: 600 / 2160 - Time: 3.427 Solver_block: 700 / 2160 - Time: 3.428 Solver_block: 800 / 2160 - Time: 3.427 Solver_block: 900 / 2160 - Time: 3.425 Solver_block: 1000 / 2160 - Time: 3.421 Solver_block: 1100 / 2160 - Time: 3.418 Solver_block: 1200 / 2160 - Time: 3.427 Solver_block: 1300 / 2160 - Time: 3.413 Solver_block: 1400 / 2160 - Time: 3.420 Solver_block: 1500 / 2160 - Time: 3.428 Solver_block: 1600 / 2160 - Time: 3.425 Solver_block: 1700 / 2160 - Time: 3.423 Solver_block: 1800 / 2160 - Time: 3.420 Solver_block: 1900 / 2160 - Time: 3.419 Solver_block: 2000 / 2160 - Time: 3.419 Solver_block: 2100 / 2160 - Time: 3.437 Solver_block: 2160 / 2160 - Time: 2.192 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 77.037 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (xx) 0.00000000 (xx) Permutation basis: 432/432 Permutation basis: 46872/46872 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 11826 Number of blocks in projector: 11826 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: 2592 Use submatrix version of eigh solver. (1) Block: 500 / 2592 (2) Block: 250 / 500 (2) 216 eigenvectors found. (2) Block: 500 / 500 (2) 214 eigenvectors found. (2) Complementary block size: 70 (2) Compute compressed projector. (2) Use standard solver. (2) 34 eigenvectors found. (1) 464 eigenvectors found. (1) Block: 1000 / 2592 (2) Block: 250 / 500 (2) 216 eigenvectors found. (2) Block: 500 / 500 (2) 218 eigenvectors found. (2) Complementary block size: 66 (2) Compute compressed projector. (2) Use standard solver. (2) 32 eigenvectors found. (1) 466 eigenvectors found. (1) Block: 1500 / 2592 (2) Block: 250 / 500 (2) 220 eigenvectors found. (2) Block: 500 / 500 (2) 224 eigenvectors found. (2) Complementary block size: 56 (2) Compute compressed projector. (2) Use standard solver. (2) 26 eigenvectors found. (1) 470 eigenvectors found. (1) Block: 2000 / 2592 (2) Block: 250 / 500 (2) 226 eigenvectors found. (2) Block: 500 / 500 (2) 230 eigenvectors found. (2) Complementary block size: 44 (2) Compute compressed projector. (2) Use standard solver. (2) 20 eigenvectors found. (1) 476 eigenvectors found. (1) Block: 2592 / 2592 (2) Block: 250 / 592 (2) 232 eigenvectors found. (2) Block: 500 / 592 (2) 229 eigenvectors found. (2) Block: 592 / 592 (2) 66 eigenvectors found. (2) Complementary block size: 65 (2) Compute compressed projector. (2) Use standard solver. (2) 32 eigenvectors found. (1) 559 eigenvectors found. (1) Complementary block size: 157 (1) Compute compressed projector. (1) Use standard solver. (1) 121 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 2592 Use submatrix version of eigh solver. (1) Block: 500 / 2592 (2) Block: 250 / 500 (2) 217 eigenvectors found. (2) Block: 500 / 500 (2) 217 eigenvectors found. (2) Complementary block size: 66 (2) Compute compressed projector. (2) Use standard solver. (2) 31 eigenvectors found. (1) 465 eigenvectors found. (1) Block: 1000 / 2592 (2) Block: 250 / 500 (2) 217 eigenvectors found. (2) Block: 500 / 500 (2) 219 eigenvectors found. (2) Complementary block size: 64 (2) Compute compressed projector. (2) Use standard solver. (2) 31 eigenvectors found. (1) 467 eigenvectors found. (1) Block: 1500 / 2592 (2) Block: 250 / 500 (2) 221 eigenvectors found. (2) Block: 500 / 500 (2) 225 eigenvectors found. (2) Complementary block size: 54 (2) Compute compressed projector. (2) Use standard solver. (2) 25 eigenvectors found. (1) 471 eigenvectors found. (1) Block: 2000 / 2592 (2) Block: 250 / 500 (2) 227 eigenvectors found. (2) Block: 500 / 500 (2) 229 eigenvectors found. (2) Complementary block size: 44 (2) Compute compressed projector. (2) Use standard solver. (2) 21 eigenvectors found. (1) 477 eigenvectors found. (1) Block: 2592 / 2592 (2) Block: 250 / 592 (2) 233 eigenvectors found. (2) Block: 500 / 592 (2) 237 eigenvectors found. (2) Block: 592 / 592 (2) 85 eigenvectors found. (2) Complementary block size: 37 (2) Compute compressed projector. (2) Use standard solver. (2) 20 eigenvectors found. (1) 575 eigenvectors found. (1) Complementary block size: 137 (1) Compute compressed projector. (1) Use standard solver. (1) 102 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 2592 Use submatrix version of eigh solver. (1) Block: 500 / 2592 (2) Block: 250 / 500 (2) 216 eigenvectors found. (2) Block: 500 / 500 (2) 214 eigenvectors found. (2) Complementary block size: 70 (2) Compute compressed projector. (2) Use standard solver. (2) 34 eigenvectors found. (1) 464 eigenvectors found. (1) Block: 1000 / 2592 (2) Block: 250 / 500 (2) 216 eigenvectors found. (2) Block: 500 / 500 (2) 218 eigenvectors found. (2) Complementary block size: 66 (2) Compute compressed projector. (2) Use standard solver. (2) 32 eigenvectors found. (1) 466 eigenvectors found. (1) Block: 1500 / 2592 (2) Block: 250 / 500 (2) 220 eigenvectors found. (2) Block: 500 / 500 (2) 224 eigenvectors found. (2) Complementary block size: 56 (2) Compute compressed projector. (2) Use standard solver. (2) 26 eigenvectors found. (1) 470 eigenvectors found. (1) Block: 2000 / 2592 (2) Block: 250 / 500 (2) 226 eigenvectors found. (2) Block: 500 / 500 (2) 230 eigenvectors found. (2) Complementary block size: 44 (2) Compute compressed projector. (2) Use standard solver. (2) 20 eigenvectors found. (1) 476 eigenvectors found. (1) Block: 2592 / 2592 (2) Block: 250 / 592 (2) 232 eigenvectors found. (2) Block: 500 / 592 (2) 229 eigenvectors found. (2) Block: 592 / 592 (2) 66 eigenvectors found. (2) Complementary block size: 65 (2) Compute compressed projector. (2) Use standard solver. (2) 32 eigenvectors found. (1) 559 eigenvectors found. (1) Complementary block size: 157 (1) Compute compressed projector. (1) Use standard solver. (1) 121 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 1350 Use submatrix version of eigh solver. (1) Block: 500 / 1350 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 233 eigenvectors found. (2) Complementary block size: 35 (2) Compute compressed projector. (2) Use standard solver. (2) 17 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 1000 / 1350 (2) Block: 250 / 500 (2) 235 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 27 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 485 eigenvectors found. (1) Block: 1350 / 1350 (1) 332 eigenvectors found. (1) Complementary block size: 51 (1) Compute compressed projector. (1) Use standard solver. (1) 33 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 1350 Use submatrix version of eigh solver. (1) Block: 500 / 1350 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 233 eigenvectors found. (2) Complementary block size: 35 (2) Compute compressed projector. (2) Use standard solver. (2) 17 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 1000 / 1350 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 1350 / 1350 (1) 332 eigenvectors found. (1) Complementary block size: 50 (1) Compute compressed projector. (1) Use standard solver. (1) 32 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 1350 Use submatrix version of eigh solver. (1) Block: 500 / 1350 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 233 eigenvectors found. (2) Complementary block size: 35 (2) Compute compressed projector. (2) Use standard solver. (2) 17 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 1000 / 1350 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 1350 / 1350 (1) 332 eigenvectors found. (1) Complementary block size: 50 (1) Compute compressed projector. (1) Use standard solver. (1) 32 eigenvectors found. Tree of FC basis block matrices: - (11826, 11665), data: False |-- (1350, 1332), data: False |-- (1350, 32), data: (1350, 50) @ (50, 32) |-- (350, 332), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), data: True |-- (500, 482), data: False |-- (500, 17), data: (500, 35) @ (35, 17) |-- (250, 233), data: True |-- (250, 232), data: True |-- (1350, 1332), data: False |-- (1350, 32), data: (1350, 50) @ (50, 32) |-- (350, 332), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), data: True |-- (500, 482), data: False |-- (500, 17), data: (500, 35) @ (35, 17) |-- (250, 233), data: True |-- (250, 232), data: True |-- (1350, 1332), data: False |-- (1350, 33), data: (1350, 51) @ (51, 33) |-- (350, 332), data: True |-- (500, 485), data: False |-- (500, 12), data: (500, 27) @ (27, 12) |-- (250, 238), data: True |-- (250, 235), data: True |-- (500, 482), data: False |-- (500, 17), data: (500, 35) @ (35, 17) |-- (250, 233), data: True |-- (250, 232), data: True |-- (2592, 2556), data: False |-- (2592, 121), data: (2592, 157) @ (157, 121) |-- (592, 559), data: False |-- (592, 32), data: (592, 65) @ (65, 32) |-- (92, 66), data: True |-- (250, 229), data: True |-- (250, 232), data: True |-- (500, 476), data: False |-- (500, 20), data: (500, 44) @ (44, 20) |-- (250, 230), data: True |-- (250, 226), data: True |-- (500, 470), data: False |-- (500, 26), data: (500, 56) @ (56, 26) |-- (250, 224), data: True |-- (250, 220), data: True |-- (500, 466), data: False |-- (500, 32), data: (500, 66) @ (66, 32) |-- (250, 218), data: True |-- (250, 216), data: True |-- (500, 464), data: False |-- (500, 34), data: (500, 70) @ (70, 34) |-- (250, 214), data: True |-- (250, 216), data: True |-- (2592, 2557), data: False |-- (2592, 102), data: (2592, 137) @ (137, 102) |-- (592, 575), data: False |-- (592, 20), data: (592, 37) @ (37, 20) |-- (92, 85), data: True |-- (250, 237), data: True |-- (250, 233), data: True |-- (500, 477), data: False |-- (500, 21), data: (500, 44) @ (44, 21) |-- (250, 229), data: True |-- (250, 227), data: True |-- (500, 471), data: False |-- (500, 25), data: (500, 54) @ (54, 25) |-- (250, 225), data: True |-- (250, 221), data: True |-- (500, 467), data: False |-- (500, 31), data: (500, 64) @ (64, 31) |-- (250, 219), data: True |-- (250, 217), data: True |-- (500, 465), data: False |-- (500, 31), data: (500, 66) @ (66, 31) |-- (250, 217), data: True |-- (250, 217), data: True |-- (2592, 2556), data: False |-- (2592, 121), data: (2592, 157) @ (157, 121) |-- (592, 559), data: False |-- (592, 32), data: (592, 65) @ (65, 32) |-- (92, 66), data: True |-- (250, 229), data: True |-- (250, 232), data: True |-- (500, 476), data: False |-- (500, 20), data: (500, 44) @ (44, 20) |-- (250, 230), data: True |-- (250, 226), data: True |-- (500, 470), data: False |-- (500, 26), data: (500, 56) @ (56, 26) |-- (250, 224), data: True |-- (250, 220), data: True |-- (500, 466), data: False |-- (500, 32), data: (500, 66) @ (66, 32) |-- (250, 218), data: True |-- (250, 216), data: True |-- (500, 464), data: False |-- (500, 34), data: (500, 70) @ (70, 34) |-- (250, 214), data: True |-- (250, 216), 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 2026-01-07 21:53:06]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 21:53:08]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [1 1 2] Primitive matrix: [ 1. 0. -0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 12.296097490148199 0.000000000000000 0.000000000000000 b 0.000000000000000 11.029316910000002 0.000000000000000 c -1.099731050560895 0.000000000000000 5.385159579401043 Atomic positions (fractional): 1 B 0.98962612542200 0.38094213272732 0.14785540628547 10.811 2 B 0.50838246427766 0.62378556777570 0.87218538702426 10.811 3 B 0.49161753572234 0.12378556777570 0.62781461297574 10.811 4 B 0.49161753572234 0.37621443222430 0.12781461297574 10.811 5 B 0.50838246427766 0.87621443222430 0.37218538702426 10.811 6 B 0.01037387457800 0.88094213272732 0.35214459371453 10.811 7 B 0.01037387457800 0.61905786727268 0.85214459371453 10.811 8 B 0.98962612542200 0.11905786727268 0.64785540628547 10.811 9 B 0.67218949073823 0.61645992196412 0.21070459566023 10.811 10 B 0.32781050926177 0.11645992196412 0.28929540433977 10.811 11 B 0.32781050926177 0.38354007803588 0.78929540433977 10.811 12 B 0.67218949073823 0.88354007803588 0.71070459566023 10.811 13 B 0.82677260026193 0.37511310667044 0.79774538386484 10.811 14 B 0.17322739973807 0.87511310667044 0.70225461613516 10.811 15 B 0.17322739973807 0.62488689332956 0.20225461613516 10.811 16 B 0.82677260026193 0.12488689332956 0.29774538386484 10.811 17 O 0.59637691106020 0.33019422087345 0.18756801985440 15.999 18 O 0.06991059187002 0.58104458812011 0.68330473368191 15.999 19 O 0.06991059187002 0.91895541187989 0.18330473368191 15.999 20 O 0.93008940812998 0.41895541187988 0.31669526631809 15.999 21 O 0.56683573457051 0.90702001319040 0.19511610149253 15.999 22 O 0.43316426542949 0.40702001319040 0.30488389850747 15.999 23 O 0.43316426542949 0.09297998680960 0.80488389850747 15.999 24 O 0.56683573457051 0.59297998680960 0.69511610149253 15.999 25 O 0.90348371172426 0.84147396349835 0.28239334570013 15.999 26 O 0.09651628827574 0.34147396349835 0.21760665429987 15.999 27 O 0.09651628827574 0.15852603650165 0.71760665429987 15.999 28 O 0.93008940812998 0.08104458812012 0.81669526631809 15.999 29 O 0.90348371172426 0.65852603650165 0.78239334570013 15.999 30 O 0.59637691106020 0.16980577912655 0.68756801985440 15.999 31 O 0.40362308893980 0.66980577912655 0.81243198014560 15.999 32 O 0.40362308893980 0.83019422087345 0.31243198014560 15.999 33 O 0.78233408767671 0.19887606969304 0.10434205140660 15.999 34 O 0.21766591232329 0.69887606969304 0.39565794859340 15.999 35 O 0.21766591232329 0.80112393030696 0.89565794859340 15.999 36 O 0.78233408767671 0.30112393030696 0.60434205140660 15.999 37 O 0.73118851528111 0.80386727713334 0.59631053240719 15.999 38 O 0.26881148471889 0.30386727713334 0.90368946759281 15.999 39 O 0.26881148471889 0.19613272286666 0.40368946759281 15.999 40 O 0.73118851528111 0.69613272286666 0.09631053240719 15.999 41 O 0.76007002030566 0.04964364000155 0.40246808100665 15.999 42 O 0.23992997969434 0.54964364000155 0.09753191899335 15.999 43 O 0.23992997969434 0.95035635999845 0.59753191899335 15.999 44 O 0.76007002030566 0.45035635999845 0.90246808100665 15.999 45 O 0.72553723460649 0.95668953822788 0.89942329354927 15.999 46 O 0.27446276539351 0.45668953822788 0.60057670645073 15.999 47 O 0.27446276539351 0.04331046177212 0.10057670645073 15.999 48 O 0.72553723460649 0.54331046177212 0.39942329354927 15.999 49 O 0.94315741493812 0.12831318218436 0.39000333350547 15.999 50 O 0.05684258506188 0.62831318218436 0.10999666649453 15.999 51 O 0.05684258506188 0.87168681781564 0.60999666649453 15.999 52 O 0.94315741493812 0.37168681781564 0.89000333350547 15.999 53 O 0.55596047536412 0.89013010692601 0.62942538987527 15.999 54 O 0.44403952463588 0.39013010692601 0.87057461012473 15.999 55 O 0.55596047536412 0.60986989307399 0.12942538987527 15.999 56 O 0.44403952463588 0.10986989307399 0.37057461012473 15.999 57 Mg 0.73579656259994 0.62742124879911 0.74630106489877 24.305 58 Mg 0.26420343740006 0.12742124879911 0.75369893510123 24.305 59 Mg 0.26420343740006 0.37257875120089 0.25369893510123 24.305 60 Mg 0.73579656259994 0.87257875120089 0.24630106489877 24.305 61 Mg 0.76279470297752 0.37221753703488 0.25112473889669 24.305 62 Mg 0.23720529702248 0.87221753703488 0.24887526110331 24.305 63 Mg 0.23720529702248 0.62778246296512 0.74887526110331 24.305 64 Mg 0.76279470297752 0.12778246296512 0.75112473889669 24.305 65 Ca 0.59396913246132 0.38165375079451 0.62639729304863 40.078 66 Ca 0.40603086753868 0.88165375079451 0.87360270695137 40.078 67 Ca 0.40603086753868 0.61834624920549 0.37360270695137 40.078 68 Ca 0.59396913246132 0.11834624920549 0.12639729304863 40.078 69 Ca 0.90936337379842 0.62732041099751 0.34867146168000 40.078 70 Ca 0.09063662620158 0.12732041099751 0.15132853832000 40.078 71 Ca 0.09063662620158 0.37267958900249 0.65132853832000 40.078 72 Ca 0.90936337379842 0.87267958900249 0.84867146168000 40.078 -------------------------------- supercell --------------------------------- Lattice vectors: a 12.296097490148199 0.000000000000000 0.000000000000000 b 0.000000000000000 11.029316910000002 0.000000000000000 c -2.199462101121790 0.000000000000000 10.770319158802087 Atomic positions (fractional): 1 B 0.98962612542200 0.38094213272732 0.07392770314274 10.811 > 1 2 B 0.98962612542200 0.38094213272732 0.57392770314274 10.811 > 1 3 B 0.50838246427766 0.62378556777570 0.43609269351213 10.811 > 3 4 B 0.50838246427766 0.62378556777570 0.93609269351213 10.811 > 3 5 B 0.49161753572234 0.12378556777570 0.31390730648787 10.811 > 5 6 B 0.49161753572234 0.12378556777570 0.81390730648787 10.811 > 5 7 B 0.49161753572234 0.37621443222430 0.06390730648787 10.811 > 7 8 B 0.49161753572234 0.37621443222430 0.56390730648787 10.811 > 7 9 B 0.50838246427766 0.87621443222430 0.18609269351213 10.811 > 9 10 B 0.50838246427766 0.87621443222430 0.68609269351213 10.811 > 9 11 B 0.01037387457800 0.88094213272732 0.17607229685726 10.811 > 11 12 B 0.01037387457800 0.88094213272732 0.67607229685726 10.811 > 11 13 B 0.01037387457800 0.61905786727268 0.42607229685726 10.811 > 13 14 B 0.01037387457800 0.61905786727268 0.92607229685726 10.811 > 13 15 B 0.98962612542200 0.11905786727268 0.32392770314274 10.811 > 15 16 B 0.98962612542200 0.11905786727268 0.82392770314274 10.811 > 15 17 B 0.67218949073823 0.61645992196412 0.10535229783012 10.811 > 17 18 B 0.67218949073823 0.61645992196412 0.60535229783012 10.811 > 17 19 B 0.32781050926177 0.11645992196412 0.14464770216988 10.811 > 19 20 B 0.32781050926177 0.11645992196412 0.64464770216988 10.811 > 19 21 B 0.32781050926177 0.38354007803588 0.39464770216988 10.811 > 21 22 B 0.32781050926177 0.38354007803588 0.89464770216988 10.811 > 21 23 B 0.67218949073823 0.88354007803588 0.35535229783012 10.811 > 23 24 B 0.67218949073823 0.88354007803588 0.85535229783012 10.811 > 23 25 B 0.82677260026193 0.37511310667044 0.39887269193242 10.811 > 25 26 B 0.82677260026193 0.37511310667044 0.89887269193242 10.811 > 25 27 B 0.17322739973807 0.87511310667044 0.35112730806758 10.811 > 27 28 B 0.17322739973807 0.87511310667044 0.85112730806758 10.811 > 27 29 B 0.17322739973807 0.62488689332956 0.10112730806758 10.811 > 29 30 B 0.17322739973807 0.62488689332956 0.60112730806758 10.811 > 29 31 B 0.82677260026193 0.12488689332956 0.14887269193242 10.811 > 31 32 B 0.82677260026193 0.12488689332956 0.64887269193242 10.811 > 31 33 O 0.59637691106020 0.33019422087345 0.09378400992720 15.999 > 33 34 O 0.59637691106020 0.33019422087345 0.59378400992720 15.999 > 33 35 O 0.06991059187002 0.58104458812011 0.34165236684096 15.999 > 35 36 O 0.06991059187002 0.58104458812011 0.84165236684096 15.999 > 35 37 O 0.06991059187002 0.91895541187989 0.09165236684096 15.999 > 37 38 O 0.06991059187002 0.91895541187989 0.59165236684096 15.999 > 37 39 O 0.93008940812998 0.41895541187988 0.15834763315904 15.999 > 39 40 O 0.93008940812998 0.41895541187988 0.65834763315904 15.999 > 39 41 O 0.56683573457051 0.90702001319040 0.09755805074627 15.999 > 41 42 O 0.56683573457051 0.90702001319040 0.59755805074627 15.999 > 41 43 O 0.43316426542949 0.40702001319040 0.15244194925373 15.999 > 43 44 O 0.43316426542949 0.40702001319040 0.65244194925373 15.999 > 43 45 O 0.43316426542949 0.09297998680960 0.40244194925373 15.999 > 45 46 O 0.43316426542949 0.09297998680960 0.90244194925373 15.999 > 45 47 O 0.56683573457051 0.59297998680960 0.34755805074627 15.999 > 47 48 O 0.56683573457051 0.59297998680960 0.84755805074627 15.999 > 47 49 O 0.90348371172426 0.84147396349835 0.14119667285007 15.999 > 49 50 O 0.90348371172426 0.84147396349835 0.64119667285007 15.999 > 49 51 O 0.09651628827574 0.34147396349835 0.10880332714993 15.999 > 51 52 O 0.09651628827574 0.34147396349835 0.60880332714993 15.999 > 51 53 O 0.09651628827574 0.15852603650165 0.35880332714993 15.999 > 53 54 O 0.09651628827574 0.15852603650165 0.85880332714993 15.999 > 53 55 O 0.93008940812998 0.08104458812012 0.40834763315904 15.999 > 55 56 O 0.93008940812998 0.08104458812012 0.90834763315904 15.999 > 55 57 O 0.90348371172426 0.65852603650165 0.39119667285007 15.999 > 57 58 O 0.90348371172426 0.65852603650165 0.89119667285007 15.999 > 57 59 O 0.59637691106020 0.16980577912655 0.34378400992720 15.999 > 59 60 O 0.59637691106020 0.16980577912655 0.84378400992720 15.999 > 59 61 O 0.40362308893980 0.66980577912655 0.40621599007280 15.999 > 61 62 O 0.40362308893980 0.66980577912655 0.90621599007280 15.999 > 61 63 O 0.40362308893980 0.83019422087345 0.15621599007280 15.999 > 63 64 O 0.40362308893980 0.83019422087345 0.65621599007280 15.999 > 63 65 O 0.78233408767671 0.19887606969304 0.05217102570330 15.999 > 65 66 O 0.78233408767671 0.19887606969304 0.55217102570330 15.999 > 65 67 O 0.21766591232329 0.69887606969304 0.19782897429670 15.999 > 67 68 O 0.21766591232329 0.69887606969304 0.69782897429670 15.999 > 67 69 O 0.21766591232329 0.80112393030696 0.44782897429670 15.999 > 69 70 O 0.21766591232329 0.80112393030696 0.94782897429670 15.999 > 69 71 O 0.78233408767671 0.30112393030696 0.30217102570330 15.999 > 71 72 O 0.78233408767671 0.30112393030696 0.80217102570330 15.999 > 71 73 O 0.73118851528111 0.80386727713334 0.29815526620360 15.999 > 73 74 O 0.73118851528111 0.80386727713334 0.79815526620360 15.999 > 73 75 O 0.26881148471889 0.30386727713334 0.45184473379640 15.999 > 75 76 O 0.26881148471889 0.30386727713334 0.95184473379640 15.999 > 75 77 O 0.26881148471889 0.19613272286666 0.20184473379640 15.999 > 77 78 O 0.26881148471889 0.19613272286666 0.70184473379640 15.999 > 77 79 O 0.73118851528111 0.69613272286666 0.04815526620359 15.999 > 79 80 O 0.73118851528111 0.69613272286666 0.54815526620360 15.999 > 79 81 O 0.76007002030566 0.04964364000155 0.20123404050332 15.999 > 81 82 O 0.76007002030566 0.04964364000155 0.70123404050333 15.999 > 81 83 O 0.23992997969434 0.54964364000155 0.04876595949667 15.999 > 83 84 O 0.23992997969434 0.54964364000155 0.54876595949667 15.999 > 83 85 O 0.23992997969434 0.95035635999845 0.29876595949668 15.999 > 85 86 O 0.23992997969434 0.95035635999845 0.79876595949667 15.999 > 85 87 O 0.76007002030566 0.45035635999845 0.45123404050332 15.999 > 87 88 O 0.76007002030566 0.45035635999845 0.95123404050333 15.999 > 87 89 O 0.72553723460649 0.95668953822788 0.44971164677464 15.999 > 89 90 O 0.72553723460649 0.95668953822788 0.94971164677464 15.999 > 89 91 O 0.27446276539351 0.45668953822788 0.30028835322536 15.999 > 91 92 O 0.27446276539351 0.45668953822788 0.80028835322536 15.999 > 91 93 O 0.27446276539351 0.04331046177212 0.05028835322536 15.999 > 93 94 O 0.27446276539351 0.04331046177212 0.55028835322536 15.999 > 93 95 O 0.72553723460649 0.54331046177212 0.19971164677464 15.999 > 95 96 O 0.72553723460649 0.54331046177212 0.69971164677464 15.999 > 95 97 O 0.94315741493812 0.12831318218436 0.19500166675274 15.999 > 97 98 O 0.94315741493812 0.12831318218436 0.69500166675274 15.999 > 97 99 O 0.05684258506188 0.62831318218436 0.05499833324726 15.999 > 99 100 O 0.05684258506188 0.62831318218436 0.55499833324726 15.999 > 99 101 O 0.05684258506188 0.87168681781564 0.30499833324726 15.999 > 101 102 O 0.05684258506188 0.87168681781564 0.80499833324726 15.999 > 101 103 O 0.94315741493812 0.37168681781564 0.44500166675274 15.999 > 103 104 O 0.94315741493812 0.37168681781564 0.94500166675274 15.999 > 103 105 O 0.55596047536412 0.89013010692601 0.31471269493764 15.999 > 105 106 O 0.55596047536412 0.89013010692601 0.81471269493764 15.999 > 105 107 O 0.44403952463588 0.39013010692601 0.43528730506236 15.999 > 107 108 O 0.44403952463588 0.39013010692601 0.93528730506236 15.999 > 107 109 O 0.55596047536412 0.60986989307399 0.06471269493764 15.999 > 109 110 O 0.55596047536412 0.60986989307399 0.56471269493764 15.999 > 109 111 O 0.44403952463588 0.10986989307399 0.18528730506236 15.999 > 111 112 O 0.44403952463588 0.10986989307399 0.68528730506236 15.999 > 111 113 Mg 0.73579656259994 0.62742124879911 0.37315053244938 24.305 > 113 114 Mg 0.73579656259994 0.62742124879911 0.87315053244938 24.305 > 113 115 Mg 0.26420343740006 0.12742124879911 0.37684946755062 24.305 > 115 116 Mg 0.26420343740006 0.12742124879911 0.87684946755062 24.305 > 115 117 Mg 0.26420343740006 0.37257875120089 0.12684946755062 24.305 > 117 118 Mg 0.26420343740006 0.37257875120089 0.62684946755062 24.305 > 117 119 Mg 0.73579656259994 0.87257875120089 0.12315053244938 24.305 > 119 120 Mg 0.73579656259994 0.87257875120089 0.62315053244939 24.305 > 119 121 Mg 0.76279470297752 0.37221753703488 0.12556236944835 24.305 > 121 122 Mg 0.76279470297752 0.37221753703488 0.62556236944835 24.305 > 121 123 Mg 0.23720529702248 0.87221753703488 0.12443763055165 24.305 > 123 124 Mg 0.23720529702248 0.87221753703488 0.62443763055165 24.305 > 123 125 Mg 0.23720529702248 0.62778246296512 0.37443763055165 24.305 > 125 126 Mg 0.23720529702248 0.62778246296512 0.87443763055165 24.305 > 125 127 Mg 0.76279470297752 0.12778246296512 0.37556236944835 24.305 > 127 128 Mg 0.76279470297752 0.12778246296512 0.87556236944835 24.305 > 127 129 Ca 0.59396913246132 0.38165375079451 0.31319864652432 40.078 > 129 130 Ca 0.59396913246132 0.38165375079451 0.81319864652432 40.078 > 129 131 Ca 0.40603086753868 0.88165375079451 0.43680135347568 40.078 > 131 132 Ca 0.40603086753868 0.88165375079451 0.93680135347568 40.078 > 131 133 Ca 0.40603086753868 0.61834624920549 0.18680135347568 40.078 > 133 134 Ca 0.40603086753868 0.61834624920549 0.68680135347568 40.078 > 133 135 Ca 0.59396913246132 0.11834624920549 0.06319864652432 40.078 > 135 136 Ca 0.59396913246132 0.11834624920549 0.56319864652432 40.078 > 135 137 Ca 0.90936337379842 0.62732041099751 0.17433573084000 40.078 > 137 138 Ca 0.90936337379842 0.62732041099751 0.67433573084000 40.078 > 137 139 Ca 0.09063662620158 0.12732041099751 0.07566426916000 40.078 > 139 140 Ca 0.09063662620158 0.12732041099751 0.57566426916000 40.078 > 139 141 Ca 0.09063662620158 0.37267958900249 0.32566426916000 40.078 > 141 142 Ca 0.09063662620158 0.37267958900249 0.82566426916000 40.078 > 141 143 Ca 0.90936337379842 0.87267958900249 0.42433573084000 40.078 > 143 144 Ca 0.90936337379842 0.87267958900249 0.92433573084000 40.078 > 143 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.0858852 0.0000000 0.0624871 0.0000000 2.9052145 0.0000000 0.0624860 0.0000000 3.0587228 -------------------------- Born effective charges -------------------------- 1 B 2.3682881 -0.4574705 0.2772704 -0.6595437 1.1048583 0.1947378 0.0662147 0.1689456 2.5513793 2 B 2.3623482 -0.6017353 0.2250332 -0.7022715 1.1853897 -0.0227709 0.0173829 -0.0965416 2.5861720 3 B 2.3623482 0.6017353 0.2250332 0.7022715 1.1853897 0.0227709 0.0173829 0.0965416 2.5861720 4 B 2.3623482 -0.6017353 0.2250332 -0.7022715 1.1853897 -0.0227709 0.0173829 -0.0965416 2.5861720 5 B 2.3623482 0.6017353 0.2250332 0.7022715 1.1853897 0.0227709 0.0173829 0.0965416 2.5861720 6 B 2.3682881 0.4574705 0.2772704 0.6595437 1.1048583 -0.1947378 0.0662147 -0.1689456 2.5513793 7 B 2.3682881 -0.4574705 0.2772704 -0.6595437 1.1048583 0.1947378 0.0662147 0.1689456 2.5513793 8 B 2.3682881 0.4574705 0.2772704 0.6595437 1.1048583 -0.1947378 0.0662147 -0.1689456 2.5513793 9 B 2.5421492 0.2770758 0.3705849 0.2798215 1.7719370 -0.7102158 0.5334536 -0.7339054 1.9671852 10 B 2.5421492 -0.2770758 0.3705849 -0.2798215 1.7719370 0.7102158 0.5334536 0.7339054 1.9671852 11 B 2.5421492 0.2770758 0.3705849 0.2798215 1.7719370 -0.7102158 0.5334536 -0.7339054 1.9671852 12 B 2.5421492 -0.2770758 0.3705849 -0.2798215 1.7719370 0.7102158 0.5334536 0.7339054 1.9671852 13 B 2.5291739 -0.2582231 0.3370896 -0.1833908 1.7948131 0.7282006 0.5795904 0.6492285 2.0890615 14 B 2.5291739 0.2582231 0.3370896 0.1833908 1.7948131 -0.7282006 0.5795904 -0.6492285 2.0890615 15 B 2.5291739 -0.2582231 0.3370896 -0.1833908 1.7948131 0.7282006 0.5795904 0.6492285 2.0890615 16 B 2.5291739 0.2582231 0.3370896 0.1833908 1.7948131 -0.7282006 0.5795904 -0.6492285 2.0890615 17 O -2.1823928 0.3471957 -0.1993792 0.4589089 -1.6005027 -0.0383815 -0.1937474 0.0364649 -1.5384069 18 O -1.8662499 0.2546893 0.2083544 0.3324171 -1.5008134 -0.2839193 0.2620736 -0.1840876 -1.7697985 19 O -1.8662499 -0.2546893 0.2083544 -0.3324171 -1.5008134 0.2839193 0.2620736 0.1840876 -1.7697985 20 O -1.8662499 0.2546893 0.2083544 0.3324171 -1.5008134 -0.2839193 0.2620736 -0.1840876 -1.7697985 21 O -1.9267470 -0.2675410 0.2232571 -0.2674996 -1.3972719 0.1727402 0.3124283 0.2360398 -1.8701084 22 O -1.9267470 0.2675410 0.2232571 0.2674996 -1.3972719 -0.1727402 0.3124283 -0.2360398 -1.8701084 23 O -1.9267470 -0.2675410 0.2232571 -0.2674996 -1.3972719 0.1727402 0.3124283 0.2360398 -1.8701084 24 O -1.9267470 0.2675410 0.2232571 0.2674996 -1.3972719 -0.1727402 0.3124283 -0.2360398 -1.8701084 25 O -2.2339751 -0.3203931 -0.2253655 -0.3604303 -1.5198113 -0.0128062 -0.2081755 -0.0118931 -1.5918635 26 O -2.2339751 0.3203931 -0.2253655 0.3604303 -1.5198113 0.0128062 -0.2081755 0.0118931 -1.5918635 27 O -2.2339751 -0.3203931 -0.2253655 -0.3604303 -1.5198113 -0.0128062 -0.2081755 -0.0118931 -1.5918635 28 O -1.8662499 -0.2546893 0.2083544 -0.3324171 -1.5008134 0.2839193 0.2620736 0.1840876 -1.7697985 29 O -2.2339751 0.3203931 -0.2253655 0.3604303 -1.5198113 0.0128062 -0.2081755 0.0118931 -1.5918635 30 O -2.1823928 -0.3471957 -0.1993792 -0.4589089 -1.6005027 0.0383815 -0.1937474 -0.0364649 -1.5384069 31 O -2.1823928 0.3471957 -0.1993792 0.4589089 -1.6005027 -0.0383815 -0.1937474 0.0364649 -1.5384069 32 O -2.1823928 -0.3471957 -0.1993792 -0.4589089 -1.6005027 0.0383815 -0.1937474 -0.0364649 -1.5384069 33 O -1.4574605 0.0248686 -0.1454601 0.0227176 -1.7748699 0.3971463 -0.2134653 0.4291180 -2.0438880 34 O -1.4574605 -0.0248686 -0.1454601 -0.0227176 -1.7748699 -0.3971463 -0.2134653 -0.4291180 -2.0438880 35 O -1.4574605 0.0248686 -0.1454601 0.0227176 -1.7748699 0.3971463 -0.2134653 0.4291180 -2.0438880 36 O -1.4574605 -0.0248686 -0.1454601 -0.0227176 -1.7748699 -0.3971463 -0.2134653 -0.4291180 -2.0438880 37 O -1.7720284 0.3546058 0.1602737 0.3122542 -1.8060103 -0.2472932 0.1102246 -0.2431942 -1.6373273 38 O -1.7720284 -0.3546058 0.1602737 -0.3122542 -1.8060103 0.2472932 0.1102246 0.2431942 -1.6373273 39 O -1.7720284 0.3546058 0.1602737 0.3122542 -1.8060103 -0.2472932 0.1102246 -0.2431942 -1.6373273 40 O -1.7720284 -0.3546058 0.1602737 -0.3122542 -1.8060103 0.2472932 0.1102246 0.2431942 -1.6373273 41 O -1.8597297 -0.3499850 0.1203051 -0.4323793 -1.7608344 0.2262447 0.0633403 0.1900986 -1.6293405 42 O -1.8597297 0.3499850 0.1203051 0.4323793 -1.7608344 -0.2262447 0.0633403 -0.1900986 -1.6293405 43 O -1.8597297 -0.3499850 0.1203051 -0.4323793 -1.7608344 0.2262447 0.0633403 0.1900986 -1.6293405 44 O -1.8597297 0.3499850 0.1203051 0.4323793 -1.7608344 -0.2262447 0.0633403 -0.1900986 -1.6293405 45 O -1.5515168 -0.0371400 -0.1847504 -0.1024429 -1.7550065 -0.3893573 -0.1842049 -0.3926191 -1.9523971 46 O -1.5515168 0.0371400 -0.1847504 0.1024429 -1.7550065 0.3893573 -0.1842049 0.3926191 -1.9523971 47 O -1.5515168 -0.0371400 -0.1847504 -0.1024429 -1.7550065 -0.3893573 -0.1842049 -0.3926191 -1.9523971 48 O -1.5515168 0.0371400 -0.1847504 0.1024429 -1.7550065 0.3893573 -0.1842049 0.3926191 -1.9523971 49 O -2.0983585 -0.0062711 -0.5818932 0.0003932 -0.9179040 0.1290569 -0.5543420 0.1164665 -2.0896139 50 O -2.0983585 0.0062711 -0.5818932 -0.0003932 -0.9179040 -0.1290569 -0.5543420 -0.1164665 -2.0896139 51 O -2.0983585 -0.0062711 -0.5818932 0.0003932 -0.9179040 0.1290569 -0.5543420 0.1164665 -2.0896139 52 O -2.0983585 0.0062711 -0.5818932 -0.0003932 -0.9179040 -0.1290569 -0.5543420 -0.1164665 -2.0896139 53 O -2.1114839 -0.0253533 -0.5760968 0.0123605 -0.9397518 -0.1085453 -0.5686584 -0.2168030 -2.0210958 54 O -2.1114839 0.0253533 -0.5760968 -0.0123605 -0.9397518 0.1085453 -0.5686584 0.2168030 -2.0210958 55 O -2.1114839 0.0253533 -0.5760968 -0.0123605 -0.9397518 0.1085453 -0.5686584 0.2168030 -2.0210958 56 O -2.1114839 -0.0253533 -0.5760968 0.0123605 -0.9397518 -0.1085453 -0.5686584 -0.2168030 -2.0210958 57 Mg 2.2013574 -0.0106887 -0.0137621 0.0299444 2.1329794 -0.1494481 -0.0873209 0.0926813 2.0792270 58 Mg 2.2013574 0.0106887 -0.0137621 -0.0299444 2.1329794 0.1494481 -0.0873209 -0.0926813 2.0792270 59 Mg 2.2013574 -0.0106887 -0.0137621 0.0299444 2.1329794 -0.1494481 -0.0873209 0.0926813 2.0792270 60 Mg 2.2013574 0.0106887 -0.0137621 -0.0299444 2.1329794 0.1494481 -0.0873209 -0.0926813 2.0792270 61 Mg 2.1988747 0.0580658 -0.0549742 -0.0702022 2.0788637 0.1208670 -0.0561927 -0.1963935 2.0484915 62 Mg 2.1988747 -0.0580658 -0.0549742 0.0702022 2.0788637 -0.1208670 -0.0561927 0.1963935 2.0484915 63 Mg 2.1988747 0.0580658 -0.0549742 -0.0702022 2.0788637 0.1208670 -0.0561927 -0.1963935 2.0484915 64 Mg 2.1988747 -0.0580658 -0.0549742 0.0702022 2.0788637 -0.1208670 -0.0561927 0.1963935 2.0484915 65 Ca 2.4282716 0.0228488 0.0375149 -0.0440414 2.4305479 0.0093311 0.0657649 0.0489547 2.4145802 66 Ca 2.4282716 -0.0228488 0.0375149 0.0440414 2.4305479 -0.0093311 0.0657649 -0.0489547 2.4145802 67 Ca 2.4282716 0.0228488 0.0375149 -0.0440414 2.4305479 0.0093311 0.0657649 0.0489547 2.4145802 68 Ca 2.4282716 -0.0228488 0.0375149 0.0440414 2.4305479 -0.0093311 0.0657649 -0.0489547 2.4145802 69 Ca 2.4294795 -0.0008869 0.0219983 -0.0502287 2.4733870 -0.0041716 0.0556340 0.0194251 2.4077430 70 Ca 2.4294795 0.0008869 0.0219983 0.0502287 2.4733870 0.0041716 0.0556340 -0.0194251 2.4077430 71 Ca 2.4294795 -0.0008869 0.0219983 -0.0502287 2.4733870 -0.0041716 0.0556340 0.0194251 2.4077430 72 Ca 2.4294795 0.0008869 0.0219983 0.0502287 2.4733870 0.0041716 0.0556340 -0.0194251 2.4077430 ---------------------------------------------------------------------------- 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] [-0.0020 0.0000 0.0098] [ 0.0020 0.0000 -0.0098] Computing fc3[ 3, 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] [-0.0020 0.0000 0.0098] [ 0.0020 0.0000 -0.0098] 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] [-0.0020 0.0000 0.0098] [ 0.0020 0.0000 -0.0098] 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] [-0.0020 0.0000 0.0098] [ 0.0020 0.0000 -0.0098] 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] [-0.0020 0.0000 0.0098] [ 0.0020 0.0000 -0.0098] Computing fc3[ 35, 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] [-0.0020 0.0000 0.0098] [ 0.0020 0.0000 -0.0098] 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] [-0.0020 0.0000 0.0098] [ 0.0020 0.0000 -0.0098] 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] [-0.0020 0.0000 0.0098] [ 0.0020 0.0000 -0.0098] 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] [-0.0020 0.0000 0.0098] [ 0.0020 0.0000 -0.0098] Computing fc3[ 73, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0020 0.0000 0.0098] [ 0.0020 0.0000 -0.0098] 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] [-0.0020 0.0000 0.0098] [ 0.0020 0.0000 -0.0098] Computing fc3[ 89, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0020 0.0000 0.0098] [ 0.0020 0.0000 -0.0098] Computing fc3[ 97, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0020 0.0000 0.0098] [ 0.0020 0.0000 -0.0098] Computing fc3[ 105, 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] [-0.0020 0.0000 0.0098] [ 0.0020 0.0000 -0.0098] Computing fc3[ 113, 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] [-0.0020 0.0000 0.0098] [ 0.0020 0.0000 -0.0098] Computing fc3[ 121, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0020 0.0000 0.0098] [ 0.0020 0.0000 -0.0098] Computing fc3[ 129, 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] [-0.0020 0.0000 0.0098] [ 0.0020 0.0000 -0.0098] Computing fc3[ 137, 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] [-0.0020 0.0000 0.0098] [ 0.0020 0.0000 -0.0098] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000000 (yyy) -0.00000000 (yyy) -0.00000000 (yyy) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000000 (zy) 0.00000000 (zy) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 21:55:11]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 21:55:12]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [1 1 2] Primitive matrix: [ 1. 0. -0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 12.296097490148199 0.000000000000000 0.000000000000000 b 0.000000000000000 11.029316910000002 0.000000000000000 c -1.099731050560895 0.000000000000000 5.385159579401043 Atomic positions (fractional): 1 B 0.98962612542200 0.38094213272732 0.14785540628547 10.811 2 B 0.50838246427766 0.62378556777570 0.87218538702426 10.811 3 B 0.49161753572234 0.12378556777570 0.62781461297574 10.811 4 B 0.49161753572234 0.37621443222430 0.12781461297574 10.811 5 B 0.50838246427766 0.87621443222430 0.37218538702426 10.811 6 B 0.01037387457800 0.88094213272732 0.35214459371453 10.811 7 B 0.01037387457800 0.61905786727268 0.85214459371453 10.811 8 B 0.98962612542200 0.11905786727268 0.64785540628547 10.811 9 B 0.67218949073823 0.61645992196412 0.21070459566023 10.811 10 B 0.32781050926177 0.11645992196412 0.28929540433977 10.811 11 B 0.32781050926177 0.38354007803588 0.78929540433977 10.811 12 B 0.67218949073823 0.88354007803588 0.71070459566023 10.811 13 B 0.82677260026193 0.37511310667044 0.79774538386484 10.811 14 B 0.17322739973807 0.87511310667044 0.70225461613516 10.811 15 B 0.17322739973807 0.62488689332956 0.20225461613516 10.811 16 B 0.82677260026193 0.12488689332956 0.29774538386484 10.811 17 O 0.59637691106020 0.33019422087345 0.18756801985440 15.999 18 O 0.06991059187002 0.58104458812011 0.68330473368191 15.999 19 O 0.06991059187002 0.91895541187989 0.18330473368191 15.999 20 O 0.93008940812998 0.41895541187988 0.31669526631809 15.999 21 O 0.56683573457051 0.90702001319040 0.19511610149253 15.999 22 O 0.43316426542949 0.40702001319040 0.30488389850747 15.999 23 O 0.43316426542949 0.09297998680960 0.80488389850747 15.999 24 O 0.56683573457051 0.59297998680960 0.69511610149253 15.999 25 O 0.90348371172426 0.84147396349835 0.28239334570013 15.999 26 O 0.09651628827574 0.34147396349835 0.21760665429987 15.999 27 O 0.09651628827574 0.15852603650165 0.71760665429987 15.999 28 O 0.93008940812998 0.08104458812012 0.81669526631809 15.999 29 O 0.90348371172426 0.65852603650165 0.78239334570013 15.999 30 O 0.59637691106020 0.16980577912655 0.68756801985440 15.999 31 O 0.40362308893980 0.66980577912655 0.81243198014560 15.999 32 O 0.40362308893980 0.83019422087345 0.31243198014560 15.999 33 O 0.78233408767671 0.19887606969304 0.10434205140660 15.999 34 O 0.21766591232329 0.69887606969304 0.39565794859340 15.999 35 O 0.21766591232329 0.80112393030696 0.89565794859340 15.999 36 O 0.78233408767671 0.30112393030696 0.60434205140660 15.999 37 O 0.73118851528111 0.80386727713334 0.59631053240719 15.999 38 O 0.26881148471889 0.30386727713334 0.90368946759281 15.999 39 O 0.26881148471889 0.19613272286666 0.40368946759281 15.999 40 O 0.73118851528111 0.69613272286666 0.09631053240719 15.999 41 O 0.76007002030566 0.04964364000155 0.40246808100665 15.999 42 O 0.23992997969434 0.54964364000155 0.09753191899335 15.999 43 O 0.23992997969434 0.95035635999845 0.59753191899335 15.999 44 O 0.76007002030566 0.45035635999845 0.90246808100665 15.999 45 O 0.72553723460649 0.95668953822788 0.89942329354927 15.999 46 O 0.27446276539351 0.45668953822788 0.60057670645073 15.999 47 O 0.27446276539351 0.04331046177212 0.10057670645073 15.999 48 O 0.72553723460649 0.54331046177212 0.39942329354927 15.999 49 O 0.94315741493812 0.12831318218436 0.39000333350547 15.999 50 O 0.05684258506188 0.62831318218436 0.10999666649453 15.999 51 O 0.05684258506188 0.87168681781564 0.60999666649453 15.999 52 O 0.94315741493812 0.37168681781564 0.89000333350547 15.999 53 O 0.55596047536412 0.89013010692601 0.62942538987527 15.999 54 O 0.44403952463588 0.39013010692601 0.87057461012473 15.999 55 O 0.55596047536412 0.60986989307399 0.12942538987527 15.999 56 O 0.44403952463588 0.10986989307399 0.37057461012473 15.999 57 Mg 0.73579656259994 0.62742124879911 0.74630106489877 24.305 58 Mg 0.26420343740006 0.12742124879911 0.75369893510123 24.305 59 Mg 0.26420343740006 0.37257875120089 0.25369893510123 24.305 60 Mg 0.73579656259994 0.87257875120089 0.24630106489877 24.305 61 Mg 0.76279470297752 0.37221753703488 0.25112473889669 24.305 62 Mg 0.23720529702248 0.87221753703488 0.24887526110331 24.305 63 Mg 0.23720529702248 0.62778246296512 0.74887526110331 24.305 64 Mg 0.76279470297752 0.12778246296512 0.75112473889669 24.305 65 Ca 0.59396913246132 0.38165375079451 0.62639729304863 40.078 66 Ca 0.40603086753868 0.88165375079451 0.87360270695137 40.078 67 Ca 0.40603086753868 0.61834624920549 0.37360270695137 40.078 68 Ca 0.59396913246132 0.11834624920549 0.12639729304863 40.078 69 Ca 0.90936337379842 0.62732041099751 0.34867146168000 40.078 70 Ca 0.09063662620158 0.12732041099751 0.15132853832000 40.078 71 Ca 0.09063662620158 0.37267958900249 0.65132853832000 40.078 72 Ca 0.90936337379842 0.87267958900249 0.84867146168000 40.078 -------------------------------- supercell --------------------------------- Lattice vectors: a 12.296097490148199 0.000000000000000 0.000000000000000 b 0.000000000000000 11.029316910000002 0.000000000000000 c -2.199462101121790 0.000000000000000 10.770319158802087 Atomic positions (fractional): 1 B 0.98962612542200 0.38094213272732 0.07392770314274 10.811 > 1 2 B 0.98962612542200 0.38094213272732 0.57392770314274 10.811 > 1 3 B 0.50838246427766 0.62378556777570 0.43609269351213 10.811 > 3 4 B 0.50838246427766 0.62378556777570 0.93609269351213 10.811 > 3 5 B 0.49161753572234 0.12378556777570 0.31390730648787 10.811 > 5 6 B 0.49161753572234 0.12378556777570 0.81390730648787 10.811 > 5 7 B 0.49161753572234 0.37621443222430 0.06390730648787 10.811 > 7 8 B 0.49161753572234 0.37621443222430 0.56390730648787 10.811 > 7 9 B 0.50838246427766 0.87621443222430 0.18609269351213 10.811 > 9 10 B 0.50838246427766 0.87621443222430 0.68609269351213 10.811 > 9 11 B 0.01037387457800 0.88094213272732 0.17607229685726 10.811 > 11 12 B 0.01037387457800 0.88094213272732 0.67607229685726 10.811 > 11 13 B 0.01037387457800 0.61905786727268 0.42607229685726 10.811 > 13 14 B 0.01037387457800 0.61905786727268 0.92607229685726 10.811 > 13 15 B 0.98962612542200 0.11905786727268 0.32392770314274 10.811 > 15 16 B 0.98962612542200 0.11905786727268 0.82392770314274 10.811 > 15 17 B 0.67218949073823 0.61645992196412 0.10535229783012 10.811 > 17 18 B 0.67218949073823 0.61645992196412 0.60535229783012 10.811 > 17 19 B 0.32781050926177 0.11645992196412 0.14464770216988 10.811 > 19 20 B 0.32781050926177 0.11645992196412 0.64464770216988 10.811 > 19 21 B 0.32781050926177 0.38354007803588 0.39464770216988 10.811 > 21 22 B 0.32781050926177 0.38354007803588 0.89464770216988 10.811 > 21 23 B 0.67218949073823 0.88354007803588 0.35535229783012 10.811 > 23 24 B 0.67218949073823 0.88354007803588 0.85535229783012 10.811 > 23 25 B 0.82677260026193 0.37511310667044 0.39887269193242 10.811 > 25 26 B 0.82677260026193 0.37511310667044 0.89887269193242 10.811 > 25 27 B 0.17322739973807 0.87511310667044 0.35112730806758 10.811 > 27 28 B 0.17322739973807 0.87511310667044 0.85112730806758 10.811 > 27 29 B 0.17322739973807 0.62488689332956 0.10112730806758 10.811 > 29 30 B 0.17322739973807 0.62488689332956 0.60112730806758 10.811 > 29 31 B 0.82677260026193 0.12488689332956 0.14887269193242 10.811 > 31 32 B 0.82677260026193 0.12488689332956 0.64887269193242 10.811 > 31 33 O 0.59637691106020 0.33019422087345 0.09378400992720 15.999 > 33 34 O 0.59637691106020 0.33019422087345 0.59378400992720 15.999 > 33 35 O 0.06991059187002 0.58104458812011 0.34165236684096 15.999 > 35 36 O 0.06991059187002 0.58104458812011 0.84165236684096 15.999 > 35 37 O 0.06991059187002 0.91895541187989 0.09165236684096 15.999 > 37 38 O 0.06991059187002 0.91895541187989 0.59165236684096 15.999 > 37 39 O 0.93008940812998 0.41895541187988 0.15834763315904 15.999 > 39 40 O 0.93008940812998 0.41895541187988 0.65834763315904 15.999 > 39 41 O 0.56683573457051 0.90702001319040 0.09755805074627 15.999 > 41 42 O 0.56683573457051 0.90702001319040 0.59755805074627 15.999 > 41 43 O 0.43316426542949 0.40702001319040 0.15244194925373 15.999 > 43 44 O 0.43316426542949 0.40702001319040 0.65244194925373 15.999 > 43 45 O 0.43316426542949 0.09297998680960 0.40244194925373 15.999 > 45 46 O 0.43316426542949 0.09297998680960 0.90244194925373 15.999 > 45 47 O 0.56683573457051 0.59297998680960 0.34755805074627 15.999 > 47 48 O 0.56683573457051 0.59297998680960 0.84755805074627 15.999 > 47 49 O 0.90348371172426 0.84147396349835 0.14119667285007 15.999 > 49 50 O 0.90348371172426 0.84147396349835 0.64119667285007 15.999 > 49 51 O 0.09651628827574 0.34147396349835 0.10880332714993 15.999 > 51 52 O 0.09651628827574 0.34147396349835 0.60880332714993 15.999 > 51 53 O 0.09651628827574 0.15852603650165 0.35880332714993 15.999 > 53 54 O 0.09651628827574 0.15852603650165 0.85880332714993 15.999 > 53 55 O 0.93008940812998 0.08104458812012 0.40834763315904 15.999 > 55 56 O 0.93008940812998 0.08104458812012 0.90834763315904 15.999 > 55 57 O 0.90348371172426 0.65852603650165 0.39119667285007 15.999 > 57 58 O 0.90348371172426 0.65852603650165 0.89119667285007 15.999 > 57 59 O 0.59637691106020 0.16980577912655 0.34378400992720 15.999 > 59 60 O 0.59637691106020 0.16980577912655 0.84378400992720 15.999 > 59 61 O 0.40362308893980 0.66980577912655 0.40621599007280 15.999 > 61 62 O 0.40362308893980 0.66980577912655 0.90621599007280 15.999 > 61 63 O 0.40362308893980 0.83019422087345 0.15621599007280 15.999 > 63 64 O 0.40362308893980 0.83019422087345 0.65621599007280 15.999 > 63 65 O 0.78233408767671 0.19887606969304 0.05217102570330 15.999 > 65 66 O 0.78233408767671 0.19887606969304 0.55217102570330 15.999 > 65 67 O 0.21766591232329 0.69887606969304 0.19782897429670 15.999 > 67 68 O 0.21766591232329 0.69887606969304 0.69782897429670 15.999 > 67 69 O 0.21766591232329 0.80112393030696 0.44782897429670 15.999 > 69 70 O 0.21766591232329 0.80112393030696 0.94782897429670 15.999 > 69 71 O 0.78233408767671 0.30112393030696 0.30217102570330 15.999 > 71 72 O 0.78233408767671 0.30112393030696 0.80217102570330 15.999 > 71 73 O 0.73118851528111 0.80386727713334 0.29815526620360 15.999 > 73 74 O 0.73118851528111 0.80386727713334 0.79815526620360 15.999 > 73 75 O 0.26881148471889 0.30386727713334 0.45184473379640 15.999 > 75 76 O 0.26881148471889 0.30386727713334 0.95184473379640 15.999 > 75 77 O 0.26881148471889 0.19613272286666 0.20184473379640 15.999 > 77 78 O 0.26881148471889 0.19613272286666 0.70184473379640 15.999 > 77 79 O 0.73118851528111 0.69613272286666 0.04815526620359 15.999 > 79 80 O 0.73118851528111 0.69613272286666 0.54815526620360 15.999 > 79 81 O 0.76007002030566 0.04964364000155 0.20123404050332 15.999 > 81 82 O 0.76007002030566 0.04964364000155 0.70123404050333 15.999 > 81 83 O 0.23992997969434 0.54964364000155 0.04876595949667 15.999 > 83 84 O 0.23992997969434 0.54964364000155 0.54876595949667 15.999 > 83 85 O 0.23992997969434 0.95035635999845 0.29876595949668 15.999 > 85 86 O 0.23992997969434 0.95035635999845 0.79876595949667 15.999 > 85 87 O 0.76007002030566 0.45035635999845 0.45123404050332 15.999 > 87 88 O 0.76007002030566 0.45035635999845 0.95123404050333 15.999 > 87 89 O 0.72553723460649 0.95668953822788 0.44971164677464 15.999 > 89 90 O 0.72553723460649 0.95668953822788 0.94971164677464 15.999 > 89 91 O 0.27446276539351 0.45668953822788 0.30028835322536 15.999 > 91 92 O 0.27446276539351 0.45668953822788 0.80028835322536 15.999 > 91 93 O 0.27446276539351 0.04331046177212 0.05028835322536 15.999 > 93 94 O 0.27446276539351 0.04331046177212 0.55028835322536 15.999 > 93 95 O 0.72553723460649 0.54331046177212 0.19971164677464 15.999 > 95 96 O 0.72553723460649 0.54331046177212 0.69971164677464 15.999 > 95 97 O 0.94315741493812 0.12831318218436 0.19500166675274 15.999 > 97 98 O 0.94315741493812 0.12831318218436 0.69500166675274 15.999 > 97 99 O 0.05684258506188 0.62831318218436 0.05499833324726 15.999 > 99 100 O 0.05684258506188 0.62831318218436 0.55499833324726 15.999 > 99 101 O 0.05684258506188 0.87168681781564 0.30499833324726 15.999 > 101 102 O 0.05684258506188 0.87168681781564 0.80499833324726 15.999 > 101 103 O 0.94315741493812 0.37168681781564 0.44500166675274 15.999 > 103 104 O 0.94315741493812 0.37168681781564 0.94500166675274 15.999 > 103 105 O 0.55596047536412 0.89013010692601 0.31471269493764 15.999 > 105 106 O 0.55596047536412 0.89013010692601 0.81471269493764 15.999 > 105 107 O 0.44403952463588 0.39013010692601 0.43528730506236 15.999 > 107 108 O 0.44403952463588 0.39013010692601 0.93528730506236 15.999 > 107 109 O 0.55596047536412 0.60986989307399 0.06471269493764 15.999 > 109 110 O 0.55596047536412 0.60986989307399 0.56471269493764 15.999 > 109 111 O 0.44403952463588 0.10986989307399 0.18528730506236 15.999 > 111 112 O 0.44403952463588 0.10986989307399 0.68528730506236 15.999 > 111 113 Mg 0.73579656259994 0.62742124879911 0.37315053244938 24.305 > 113 114 Mg 0.73579656259994 0.62742124879911 0.87315053244938 24.305 > 113 115 Mg 0.26420343740006 0.12742124879911 0.37684946755062 24.305 > 115 116 Mg 0.26420343740006 0.12742124879911 0.87684946755062 24.305 > 115 117 Mg 0.26420343740006 0.37257875120089 0.12684946755062 24.305 > 117 118 Mg 0.26420343740006 0.37257875120089 0.62684946755062 24.305 > 117 119 Mg 0.73579656259994 0.87257875120089 0.12315053244938 24.305 > 119 120 Mg 0.73579656259994 0.87257875120089 0.62315053244939 24.305 > 119 121 Mg 0.76279470297752 0.37221753703488 0.12556236944835 24.305 > 121 122 Mg 0.76279470297752 0.37221753703488 0.62556236944835 24.305 > 121 123 Mg 0.23720529702248 0.87221753703488 0.12443763055165 24.305 > 123 124 Mg 0.23720529702248 0.87221753703488 0.62443763055165 24.305 > 123 125 Mg 0.23720529702248 0.62778246296512 0.37443763055165 24.305 > 125 126 Mg 0.23720529702248 0.62778246296512 0.87443763055165 24.305 > 125 127 Mg 0.76279470297752 0.12778246296512 0.37556236944835 24.305 > 127 128 Mg 0.76279470297752 0.12778246296512 0.87556236944835 24.305 > 127 129 Ca 0.59396913246132 0.38165375079451 0.31319864652432 40.078 > 129 130 Ca 0.59396913246132 0.38165375079451 0.81319864652432 40.078 > 129 131 Ca 0.40603086753868 0.88165375079451 0.43680135347568 40.078 > 131 132 Ca 0.40603086753868 0.88165375079451 0.93680135347568 40.078 > 131 133 Ca 0.40603086753868 0.61834624920549 0.18680135347568 40.078 > 133 134 Ca 0.40603086753868 0.61834624920549 0.68680135347568 40.078 > 133 135 Ca 0.59396913246132 0.11834624920549 0.06319864652432 40.078 > 135 136 Ca 0.59396913246132 0.11834624920549 0.56319864652432 40.078 > 135 137 Ca 0.90936337379842 0.62732041099751 0.17433573084000 40.078 > 137 138 Ca 0.90936337379842 0.62732041099751 0.67433573084000 40.078 > 137 139 Ca 0.09063662620158 0.12732041099751 0.07566426916000 40.078 > 139 140 Ca 0.09063662620158 0.12732041099751 0.57566426916000 40.078 > 139 141 Ca 0.09063662620158 0.37267958900249 0.32566426916000 40.078 > 141 142 Ca 0.09063662620158 0.37267958900249 0.82566426916000 40.078 > 141 143 Ca 0.90936337379842 0.87267958900249 0.42433573084000 40.078 > 143 144 Ca 0.90936337379842 0.87267958900249 0.92433573084000 40.078 > 143 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 3.0858852 0.0000000 0.0624871 0.0000000 2.9052145 0.0000000 0.0624860 0.0000000 3.0587228 -------------------------- Born effective charges -------------------------- 1 B 2.3682881 -0.4574705 0.2772704 -0.6595437 1.1048583 0.1947378 0.0662147 0.1689456 2.5513793 2 B 2.3623482 -0.6017353 0.2250332 -0.7022715 1.1853897 -0.0227709 0.0173829 -0.0965416 2.5861720 3 B 2.3623482 0.6017353 0.2250332 0.7022715 1.1853897 0.0227709 0.0173829 0.0965416 2.5861720 4 B 2.3623482 -0.6017353 0.2250332 -0.7022715 1.1853897 -0.0227709 0.0173829 -0.0965416 2.5861720 5 B 2.3623482 0.6017353 0.2250332 0.7022715 1.1853897 0.0227709 0.0173829 0.0965416 2.5861720 6 B 2.3682881 0.4574705 0.2772704 0.6595437 1.1048583 -0.1947378 0.0662147 -0.1689456 2.5513793 7 B 2.3682881 -0.4574705 0.2772704 -0.6595437 1.1048583 0.1947378 0.0662147 0.1689456 2.5513793 8 B 2.3682881 0.4574705 0.2772704 0.6595437 1.1048583 -0.1947378 0.0662147 -0.1689456 2.5513793 9 B 2.5421492 0.2770758 0.3705849 0.2798215 1.7719370 -0.7102158 0.5334536 -0.7339054 1.9671852 10 B 2.5421492 -0.2770758 0.3705849 -0.2798215 1.7719370 0.7102158 0.5334536 0.7339054 1.9671852 11 B 2.5421492 0.2770758 0.3705849 0.2798215 1.7719370 -0.7102158 0.5334536 -0.7339054 1.9671852 12 B 2.5421492 -0.2770758 0.3705849 -0.2798215 1.7719370 0.7102158 0.5334536 0.7339054 1.9671852 13 B 2.5291739 -0.2582231 0.3370896 -0.1833908 1.7948131 0.7282006 0.5795904 0.6492285 2.0890615 14 B 2.5291739 0.2582231 0.3370896 0.1833908 1.7948131 -0.7282006 0.5795904 -0.6492285 2.0890615 15 B 2.5291739 -0.2582231 0.3370896 -0.1833908 1.7948131 0.7282006 0.5795904 0.6492285 2.0890615 16 B 2.5291739 0.2582231 0.3370896 0.1833908 1.7948131 -0.7282006 0.5795904 -0.6492285 2.0890615 17 O -2.1823928 0.3471957 -0.1993792 0.4589089 -1.6005027 -0.0383815 -0.1937474 0.0364649 -1.5384069 18 O -1.8662499 0.2546893 0.2083544 0.3324171 -1.5008134 -0.2839193 0.2620736 -0.1840876 -1.7697985 19 O -1.8662499 -0.2546893 0.2083544 -0.3324171 -1.5008134 0.2839193 0.2620736 0.1840876 -1.7697985 20 O -1.8662499 0.2546893 0.2083544 0.3324171 -1.5008134 -0.2839193 0.2620736 -0.1840876 -1.7697985 21 O -1.9267470 -0.2675410 0.2232571 -0.2674996 -1.3972719 0.1727402 0.3124283 0.2360398 -1.8701084 22 O -1.9267470 0.2675410 0.2232571 0.2674996 -1.3972719 -0.1727402 0.3124283 -0.2360398 -1.8701084 23 O -1.9267470 -0.2675410 0.2232571 -0.2674996 -1.3972719 0.1727402 0.3124283 0.2360398 -1.8701084 24 O -1.9267470 0.2675410 0.2232571 0.2674996 -1.3972719 -0.1727402 0.3124283 -0.2360398 -1.8701084 25 O -2.2339751 -0.3203931 -0.2253655 -0.3604303 -1.5198113 -0.0128062 -0.2081755 -0.0118931 -1.5918635 26 O -2.2339751 0.3203931 -0.2253655 0.3604303 -1.5198113 0.0128062 -0.2081755 0.0118931 -1.5918635 27 O -2.2339751 -0.3203931 -0.2253655 -0.3604303 -1.5198113 -0.0128062 -0.2081755 -0.0118931 -1.5918635 28 O -1.8662499 -0.2546893 0.2083544 -0.3324171 -1.5008134 0.2839193 0.2620736 0.1840876 -1.7697985 29 O -2.2339751 0.3203931 -0.2253655 0.3604303 -1.5198113 0.0128062 -0.2081755 0.0118931 -1.5918635 30 O -2.1823928 -0.3471957 -0.1993792 -0.4589089 -1.6005027 0.0383815 -0.1937474 -0.0364649 -1.5384069 31 O -2.1823928 0.3471957 -0.1993792 0.4589089 -1.6005027 -0.0383815 -0.1937474 0.0364649 -1.5384069 32 O -2.1823928 -0.3471957 -0.1993792 -0.4589089 -1.6005027 0.0383815 -0.1937474 -0.0364649 -1.5384069 33 O -1.4574605 0.0248686 -0.1454601 0.0227176 -1.7748699 0.3971463 -0.2134653 0.4291180 -2.0438880 34 O -1.4574605 -0.0248686 -0.1454601 -0.0227176 -1.7748699 -0.3971463 -0.2134653 -0.4291180 -2.0438880 35 O -1.4574605 0.0248686 -0.1454601 0.0227176 -1.7748699 0.3971463 -0.2134653 0.4291180 -2.0438880 36 O -1.4574605 -0.0248686 -0.1454601 -0.0227176 -1.7748699 -0.3971463 -0.2134653 -0.4291180 -2.0438880 37 O -1.7720284 0.3546058 0.1602737 0.3122542 -1.8060103 -0.2472932 0.1102246 -0.2431942 -1.6373273 38 O -1.7720284 -0.3546058 0.1602737 -0.3122542 -1.8060103 0.2472932 0.1102246 0.2431942 -1.6373273 39 O -1.7720284 0.3546058 0.1602737 0.3122542 -1.8060103 -0.2472932 0.1102246 -0.2431942 -1.6373273 40 O -1.7720284 -0.3546058 0.1602737 -0.3122542 -1.8060103 0.2472932 0.1102246 0.2431942 -1.6373273 41 O -1.8597297 -0.3499850 0.1203051 -0.4323793 -1.7608344 0.2262447 0.0633403 0.1900986 -1.6293405 42 O -1.8597297 0.3499850 0.1203051 0.4323793 -1.7608344 -0.2262447 0.0633403 -0.1900986 -1.6293405 43 O -1.8597297 -0.3499850 0.1203051 -0.4323793 -1.7608344 0.2262447 0.0633403 0.1900986 -1.6293405 44 O -1.8597297 0.3499850 0.1203051 0.4323793 -1.7608344 -0.2262447 0.0633403 -0.1900986 -1.6293405 45 O -1.5515168 -0.0371400 -0.1847504 -0.1024429 -1.7550065 -0.3893573 -0.1842049 -0.3926191 -1.9523971 46 O -1.5515168 0.0371400 -0.1847504 0.1024429 -1.7550065 0.3893573 -0.1842049 0.3926191 -1.9523971 47 O -1.5515168 -0.0371400 -0.1847504 -0.1024429 -1.7550065 -0.3893573 -0.1842049 -0.3926191 -1.9523971 48 O -1.5515168 0.0371400 -0.1847504 0.1024429 -1.7550065 0.3893573 -0.1842049 0.3926191 -1.9523971 49 O -2.0983585 -0.0062711 -0.5818932 0.0003932 -0.9179040 0.1290569 -0.5543420 0.1164665 -2.0896139 50 O -2.0983585 0.0062711 -0.5818932 -0.0003932 -0.9179040 -0.1290569 -0.5543420 -0.1164665 -2.0896139 51 O -2.0983585 -0.0062711 -0.5818932 0.0003932 -0.9179040 0.1290569 -0.5543420 0.1164665 -2.0896139 52 O -2.0983585 0.0062711 -0.5818932 -0.0003932 -0.9179040 -0.1290569 -0.5543420 -0.1164665 -2.0896139 53 O -2.1114839 -0.0253533 -0.5760968 0.0123605 -0.9397518 -0.1085453 -0.5686584 -0.2168030 -2.0210958 54 O -2.1114839 0.0253533 -0.5760968 -0.0123605 -0.9397518 0.1085453 -0.5686584 0.2168030 -2.0210958 55 O -2.1114839 0.0253533 -0.5760968 -0.0123605 -0.9397518 0.1085453 -0.5686584 0.2168030 -2.0210958 56 O -2.1114839 -0.0253533 -0.5760968 0.0123605 -0.9397518 -0.1085453 -0.5686584 -0.2168030 -2.0210958 57 Mg 2.2013574 -0.0106887 -0.0137621 0.0299444 2.1329794 -0.1494481 -0.0873209 0.0926813 2.0792270 58 Mg 2.2013574 0.0106887 -0.0137621 -0.0299444 2.1329794 0.1494481 -0.0873209 -0.0926813 2.0792270 59 Mg 2.2013574 -0.0106887 -0.0137621 0.0299444 2.1329794 -0.1494481 -0.0873209 0.0926813 2.0792270 60 Mg 2.2013574 0.0106887 -0.0137621 -0.0299444 2.1329794 0.1494481 -0.0873209 -0.0926813 2.0792270 61 Mg 2.1988747 0.0580658 -0.0549742 -0.0702022 2.0788637 0.1208670 -0.0561927 -0.1963935 2.0484915 62 Mg 2.1988747 -0.0580658 -0.0549742 0.0702022 2.0788637 -0.1208670 -0.0561927 0.1963935 2.0484915 63 Mg 2.1988747 0.0580658 -0.0549742 -0.0702022 2.0788637 0.1208670 -0.0561927 -0.1963935 2.0484915 64 Mg 2.1988747 -0.0580658 -0.0549742 0.0702022 2.0788637 -0.1208670 -0.0561927 0.1963935 2.0484915 65 Ca 2.4282716 0.0228488 0.0375149 -0.0440414 2.4305479 0.0093311 0.0657649 0.0489547 2.4145802 66 Ca 2.4282716 -0.0228488 0.0375149 0.0440414 2.4305479 -0.0093311 0.0657649 -0.0489547 2.4145802 67 Ca 2.4282716 0.0228488 0.0375149 -0.0440414 2.4305479 0.0093311 0.0657649 0.0489547 2.4145802 68 Ca 2.4282716 -0.0228488 0.0375149 0.0440414 2.4305479 -0.0093311 0.0657649 -0.0489547 2.4145802 69 Ca 2.4294795 -0.0008869 0.0219983 -0.0502287 2.4733870 -0.0041716 0.0556340 0.0194251 2.4077430 70 Ca 2.4294795 0.0008869 0.0219983 0.0502287 2.4733870 0.0041716 0.0556340 -0.0194251 2.4077430 71 Ca 2.4294795 -0.0008869 0.0219983 -0.0502287 2.4733870 -0.0041716 0.0556340 0.0194251 2.4077430 72 Ca 2.4294795 0.0008869 0.0219983 0.0502287 2.4733870 0.0041716 0.0556340 -0.0194251 2.4077430 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000000 (yyy) -0.00000000 (yyy) -0.00000000 (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 ... [ 4 5 9 ] 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: 0.46, Number of G-points: 319, Lambda: 0.08 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/57) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 57 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 2.644 ( 0.000 0.000 0.000) 0.000 2.712 ( 0.000 0.000 0.000) 0.000 2.747 ( 0.000 0.000 0.000) 0.000 2.898 ( 0.000 0.000 0.000) 0.000 3.204 ( 0.000 0.000 0.000) 0.000 3.441 ( 0.000 0.000 0.000) 0.000 3.549 ( 0.000 0.000 0.000) 0.000 3.633 ( 0.000 0.000 0.000) 0.000 3.776 ( 0.000 0.000 0.000) 0.000 4.050 ( 0.000 0.000 0.000) 0.000 4.071 ( 0.000 0.000 0.000) 0.000 4.226 ( 0.000 0.000 0.000) 0.000 4.234 ( 0.000 0.000 0.000) 0.000 4.467 ( 0.000 0.000 0.000) 0.000 4.491 ( 0.000 0.000 0.000) 0.000 4.717 ( 0.000 0.000 0.000) 0.000 4.756 ( 0.000 0.000 0.000) 0.000 4.777 ( 0.000 0.000 0.000) 0.000 4.799 ( 0.000 0.000 0.000) 0.000 5.023 ( 0.000 0.000 0.000) 0.000 5.127 ( 0.000 0.000 0.000) 0.000 5.223 ( 0.000 0.000 0.000) 0.000 5.248 ( 0.000 0.000 0.000) 0.000 5.306 ( 0.000 0.000 0.000) 0.000 5.389 ( 0.000 0.000 0.000) 0.000 5.421 ( 0.000 0.000 0.000) 0.000 5.424 ( 0.000 0.000 0.000) 0.000 5.549 ( 0.000 0.000 0.000) 0.000 5.659 ( 0.000 0.000 0.000) 0.000 5.676 ( 0.000 0.000 0.000) 0.000 5.693 ( 0.000 0.000 0.000) 0.000 5.776 ( 0.000 0.000 0.000) 0.000 5.833 ( 0.000 0.000 0.000) 0.000 6.101 ( 0.000 0.000 0.000) 0.000 6.147 ( 0.000 0.000 0.000) 0.000 6.165 ( 0.000 0.000 0.000) 0.000 6.224 ( 0.000 0.000 0.000) 0.000 6.332 ( 0.000 0.000 0.000) 0.000 6.396 ( 0.000 0.000 0.000) 0.000 6.423 ( 0.000 0.000 0.000) 0.000 6.477 ( 0.000 0.000 0.000) 0.000 6.535 ( 0.000 0.000 0.000) 0.000 6.616 ( 0.000 0.000 0.000) 0.000 6.624 ( 0.000 0.000 0.000) 0.000 6.758 ( 0.000 0.000 0.000) 0.000 6.793 ( 0.000 0.000 0.000) 0.000 6.866 ( 0.000 0.000 0.000) 0.000 6.997 ( 0.000 0.000 0.000) 0.000 7.009 ( 0.000 0.000 0.000) 0.000 7.016 ( 0.000 0.000 0.000) 0.000 7.123 ( 0.000 0.000 0.000) 0.000 7.126 ( 0.000 0.000 0.000) 0.000 7.169 ( 0.000 0.000 0.000) 0.000 7.315 ( 0.000 0.000 0.000) 0.000 7.572 ( 0.000 0.000 0.000) 0.000 7.579 ( 0.000 0.000 0.000) 0.000 7.677 ( 0.000 0.000 0.000) 0.000 7.878 ( 0.000 0.000 0.000) 0.000 7.894 ( 0.000 0.000 0.000) 0.000 7.895 ( 0.000 0.000 0.000) 0.000 7.917 ( 0.000 0.000 0.000) 0.000 8.016 ( 0.000 0.000 0.000) 0.000 8.154 ( 0.000 0.000 0.000) 0.000 8.161 ( 0.000 0.000 0.000) 0.000 8.173 ( 0.000 0.000 0.000) 0.000 8.340 ( 0.000 0.000 0.000) 0.000 8.350 ( 0.000 0.000 0.000) 0.000 8.538 ( 0.000 0.000 0.000) 0.000 8.538 ( 0.000 0.000 0.000) 0.000 8.677 ( 0.000 0.000 0.000) 0.000 8.750 ( 0.000 0.000 0.000) 0.000 8.820 ( 0.000 0.000 0.000) 0.000 8.832 ( 0.000 0.000 0.000) 0.000 8.919 ( 0.000 0.000 0.000) 0.000 9.004 ( 0.000 0.000 0.000) 0.000 9.067 ( 0.000 0.000 0.000) 0.000 9.140 ( 0.000 0.000 0.000) 0.000 9.144 ( 0.000 0.000 0.000) 0.000 9.173 ( 0.000 0.000 0.000) 0.000 9.179 ( 0.000 0.000 0.000) 0.000 9.219 ( 0.000 0.000 0.000) 0.000 9.420 ( 0.000 0.000 0.000) 0.000 9.480 ( 0.000 0.000 0.000) 0.000 9.494 ( 0.000 0.000 0.000) 0.000 9.559 ( 0.000 0.000 0.000) 0.000 9.761 ( 0.000 0.000 0.000) 0.000 9.789 ( 0.000 0.000 0.000) 0.000 9.892 ( 0.000 0.000 0.000) 0.000 10.057 ( 0.000 0.000 0.000) 0.000 10.064 ( 0.000 0.000 0.000) 0.000 10.104 ( 0.000 0.000 0.000) 0.000 10.160 ( 0.000 0.000 0.000) 0.000 10.449 ( 0.000 0.000 0.000) 0.000 10.485 ( 0.000 0.000 0.000) 0.000 10.536 ( 0.000 0.000 0.000) 0.000 10.676 ( 0.000 0.000 0.000) 0.000 10.812 ( 0.000 0.000 0.000) 0.000 10.968 ( 0.000 0.000 0.000) 0.000 11.013 ( 0.000 0.000 0.000) 0.000 11.016 ( 0.000 0.000 0.000) 0.000 11.157 ( 0.000 0.000 0.000) 0.000 11.159 ( 0.000 0.000 0.000) 0.000 11.186 ( 0.000 0.000 0.000) 0.000 11.277 ( 0.000 0.000 0.000) 0.000 11.332 ( 0.000 0.000 0.000) 0.000 11.626 ( 0.000 0.000 0.000) 0.000 11.642 ( 0.000 0.000 0.000) 0.000 11.902 ( 0.000 0.000 0.000) 0.000 11.955 ( 0.000 0.000 0.000) 0.000 12.020 ( 0.000 0.000 0.000) 0.000 12.182 ( 0.000 0.000 0.000) 0.000 12.343 ( 0.000 0.000 0.000) 0.000 12.424 ( 0.000 0.000 0.000) 0.000 12.545 ( 0.000 0.000 0.000) 0.000 12.728 ( 0.000 0.000 0.000) 0.000 13.041 ( 0.000 0.000 0.000) 0.000 13.056 ( 0.000 0.000 0.000) 0.000 13.546 ( 0.000 0.000 0.000) 0.000 13.578 ( 0.000 0.000 0.000) 0.000 13.634 ( 0.000 0.000 0.000) 0.000 13.719 ( 0.000 0.000 0.000) 0.000 13.885 ( 0.000 0.000 0.000) 0.000 13.909 ( 0.000 0.000 0.000) 0.000 14.085 ( 0.000 0.000 0.000) 0.000 14.285 ( 0.000 0.000 0.000) 0.000 14.320 ( 0.000 0.000 0.000) 0.000 14.384 ( 0.000 0.000 0.000) 0.000 14.407 ( 0.000 0.000 0.000) 0.000 14.441 ( 0.000 0.000 0.000) 0.000 14.535 ( 0.000 0.000 0.000) 0.000 14.562 ( 0.000 0.000 0.000) 0.000 14.694 ( 0.000 0.000 0.000) 0.000 14.724 ( 0.000 0.000 0.000) 0.000 17.748 ( 0.000 0.000 0.000) 0.000 17.770 ( 0.000 0.000 0.000) 0.000 17.850 ( 0.000 0.000 0.000) 0.000 17.892 ( 0.000 0.000 0.000) 0.000 17.994 ( 0.000 0.000 0.000) 0.000 18.000 ( 0.000 0.000 0.000) 0.000 18.117 ( 0.000 0.000 0.000) 0.000 18.280 ( 0.000 0.000 0.000) 0.000 18.282 ( 0.000 0.000 0.000) 0.000 18.391 ( 0.000 0.000 0.000) 0.000 18.469 ( 0.000 0.000 0.000) 0.000 18.684 ( 0.000 0.000 0.000) 0.000 18.921 ( 0.000 0.000 0.000) 0.000 19.168 ( 0.000 0.000 0.000) 0.000 19.240 ( 0.000 0.000 0.000) 0.000 19.269 ( 0.000 0.000 0.000) 0.000 19.850 ( 0.000 0.000 0.000) 0.000 19.998 ( 0.000 0.000 0.000) 0.000 20.436 ( 0.000 0.000 0.000) 0.000 20.563 ( 0.000 0.000 0.000) 0.000 20.719 ( 0.000 0.000 0.000) 0.000 20.805 ( 0.000 0.000 0.000) 0.000 20.936 ( 0.000 0.000 0.000) 0.000 20.937 ( 0.000 0.000 0.000) 0.000 21.297 ( 0.000 0.000 0.000) 0.000 21.527 ( 0.000 0.000 0.000) 0.000 21.628 ( 0.000 0.000 0.000) 0.000 21.632 ( 0.000 0.000 0.000) 0.000 21.791 ( 0.000 0.000 0.000) 0.000 21.880 ( 0.000 0.000 0.000) 0.000 21.947 ( 0.000 0.000 0.000) 0.000 22.171 ( 0.000 0.000 0.000) 0.000 24.574 ( 0.000 0.000 0.000) 0.000 24.700 ( 0.000 0.000 0.000) 0.000 24.771 ( 0.000 0.000 0.000) 0.000 24.810 ( 0.000 0.000 0.000) 0.000 24.938 ( 0.000 0.000 0.000) 0.000 24.990 ( 0.000 0.000 0.000) 0.000 25.028 ( 0.000 0.000 0.000) 0.000 25.122 ( 0.000 0.000 0.000) 0.000 28.742 ( 0.000 0.000 0.000) 0.000 28.848 ( 0.000 0.000 0.000) 0.000 28.864 ( 0.000 0.000 0.000) 0.000 28.905 ( 0.000 0.000 0.000) 0.000 29.118 ( 0.000 0.000 0.000) 0.000 29.125 ( 0.000 0.000 0.000) 0.000 29.192 ( 0.000 0.000 0.000) 0.000 29.239 ( 0.000 0.000 0.000) 0.000 34.797 ( 0.000 0.000 0.000) 0.000 34.813 ( 0.000 0.000 0.000) 0.000 34.839 ( 0.000 0.000 0.000) 0.000 34.935 ( 0.000 0.000 0.000) 0.000 34.977 ( 0.000 0.000 0.000) 0.000 35.199 ( 0.000 0.000 0.000) 0.000 35.996 ( 0.000 0.000 0.000) 0.000 36.139 ( 0.000 0.000 0.000) 0.000 37.921 ( 0.000 0.000 0.000) 0.000 37.957 ( 0.000 0.000 0.000) 0.000 38.100 ( 0.000 0.000 0.000) 0.000 38.140 ( 0.000 0.000 0.000) 0.000 38.257 ( 0.000 0.000 0.000) 0.000 38.517 ( 0.000 0.000 0.000) 0.000 38.532 ( 0.000 0.000 0.000) 0.000 39.043 ( 0.000 0.000 0.000) 0.000 39.278 ( 0.000 0.000 0.000) 0.000 39.296 ( 0.000 0.000 0.000) 0.000 39.560 ( 0.000 0.000 0.000) 0.000 39.665 ( 0.000 0.000 0.000) 0.000 39.671 ( 0.000 0.000 0.000) 0.000 39.694 ( 0.000 0.000 0.000) 0.000 40.065 ( 0.000 0.000 0.000) 0.000 40.075 ( 0.000 0.000 0.000) 0.000 40.488 ( 0.000 0.000 0.000) 0.000 40.863 ( 0.000 0.000 0.000) 0.000 40.916 ( 0.000 0.000 0.000) 0.000 41.183 ( 0.000 0.000 0.000) 0.000 41.377 ( 0.000 0.000 0.000) 0.000 41.557 ( 0.000 0.000 0.000) 0.000 41.825 ( 0.000 0.000 0.000) 0.000 43.320 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/57) ======================= q-point: ( 0.25 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.845 ( 39.250 0.000 6.478) 39.781 1.066 ( 51.112 0.000 1.063) 51.124 1.978 ( 88.008 0.000 31.182) 93.369 2.350 ( -29.826 0.000 -5.548) 30.338 2.839 ( 5.186 0.000 5.003) 7.206 2.865 ( -18.733 0.000 -0.603) 18.743 2.875 ( 18.124 0.000 10.282) 20.838 3.214 ( -0.826 0.000 7.906) 7.949 3.416 ( 17.709 0.000 0.179) 17.709 3.642 ( 6.265 0.000 0.179) 6.268 3.816 ( 1.421 0.000 -2.104) 2.539 3.850 ( 0.282 0.000 5.406) 5.413 3.927 ( 4.320 0.000 2.133) 4.818 4.096 ( -4.733 0.000 6.162) 7.770 4.103 ( -5.716 0.000 5.099) 7.660 4.296 ( -0.308 0.000 -4.711) 4.721 4.396 ( -2.203 0.000 -6.172) 6.553 4.485 ( -2.530 0.000 -0.467) 2.572 4.584 ( -11.912 0.000 -4.128) 12.607 4.700 ( -4.935 0.000 -2.960) 5.755 4.836 ( 3.722 0.000 -4.098) 5.536 4.849 ( 4.407 0.000 4.864) 6.563 5.030 ( -9.567 0.000 3.539) 10.200 5.047 ( 2.006 0.000 -1.338) 2.411 5.192 ( -1.039 0.000 -5.475) 5.573 5.209 ( -25.832 0.000 -14.949) 29.846 5.227 ( -11.955 0.000 -2.964) 12.317 5.299 ( 2.735 0.000 -2.179) 3.497 5.413 ( 4.709 0.000 2.010) 5.120 5.524 ( -4.672 0.000 -1.875) 5.034 5.568 ( 5.573 0.000 -0.351) 5.584 5.588 ( 2.525 0.000 0.187) 2.532 5.722 ( -0.070 0.000 -0.545) 0.550 5.789 ( 6.018 0.000 -2.302) 6.443 5.821 ( -1.030 0.000 3.481) 3.631 5.919 ( 0.030 0.000 2.633) 2.633 5.928 ( 5.018 0.000 -4.453) 6.709 6.041 ( -9.047 0.000 -0.662) 9.071 6.223 ( 8.760 0.000 -2.248) 9.044 6.259 ( 5.132 0.000 -0.619) 5.169 6.289 ( -5.003 0.000 0.929) 5.088 6.355 ( -3.095 0.000 -1.542) 3.458 6.428 ( -1.466 0.000 8.499) 8.625 6.516 ( -2.812 0.000 3.350) 4.374 6.574 ( -0.245 0.000 -0.315) 0.399 6.631 ( 6.974 0.000 -6.431) 9.486 6.654 ( 2.781 0.000 -2.662) 3.850 6.736 ( -3.672 0.000 -6.766) 7.698 6.772 ( -3.155 0.000 -5.320) 6.185 6.911 ( -1.781 0.000 7.179) 7.396 6.953 ( -0.187 0.000 -0.356) 0.402 6.999 ( -2.145 0.000 -2.627) 3.391 7.096 ( -4.893 0.000 -3.503) 6.018 7.113 ( -3.251 0.000 -2.738) 4.251 7.216 ( -2.761 0.000 -2.312) 3.601 7.326 ( 6.490 0.000 -0.454) 6.505 7.399 ( 10.000 0.000 -6.954) 12.180 7.504 ( -6.949 0.000 -2.787) 7.487 7.667 ( -1.151 0.000 4.988) 5.119 7.680 ( -4.570 0.000 4.722) 6.571 7.730 ( -0.526 0.000 -0.550) 0.761 7.739 ( -5.932 0.000 -0.806) 5.986 7.859 ( -6.587 0.000 3.170) 7.310 7.929 ( -9.336 0.000 2.130) 9.576 7.961 ( -13.397 0.000 -2.821) 13.691 8.133 ( -4.438 0.000 -2.356) 5.025 8.206 ( 2.400 0.000 -0.408) 2.434 8.230 ( -1.750 0.000 -1.440) 2.266 8.242 ( 10.097 0.000 2.814) 10.481 8.400 ( 2.016 0.000 2.222) 3.001 8.471 ( -13.135 0.000 -0.283) 13.138 8.560 ( 5.012 0.000 1.206) 5.155 8.714 ( 6.516 0.000 -2.817) 7.099 8.725 ( -0.564 0.000 0.954) 1.108 8.812 ( -5.005 0.000 -4.340) 6.624 8.843 ( 2.679 0.000 -1.257) 2.959 8.919 ( 3.505 0.000 -1.802) 3.941 8.956 ( -6.044 0.000 4.177) 7.347 9.074 ( -1.869 0.000 3.263) 3.761 9.172 ( 1.157 0.000 -0.789) 1.400 9.194 ( 3.285 0.000 2.918) 4.393 9.209 ( 2.276 0.000 -1.588) 2.776 9.225 ( 1.227 0.000 6.728) 6.839 9.254 ( 0.149 0.000 -5.170) 5.172 9.459 ( -1.361 0.000 4.532) 4.731 9.497 ( 6.339 0.000 -0.125) 6.340 9.509 ( 0.917 0.000 2.064) 2.258 9.543 ( -1.390 0.000 -0.388) 1.443 9.699 ( -4.427 0.000 1.998) 4.857 9.899 ( 4.971 0.000 1.557) 5.209 9.907 ( 3.260 0.000 -2.631) 4.189 10.074 ( 0.586 0.000 -1.147) 1.288 10.102 ( -0.534 0.000 1.646) 1.730 10.162 ( -1.306 0.000 -5.644) 5.793 10.169 ( -1.324 0.000 6.524) 6.657 10.442 ( -9.087 0.000 -4.175) 10.000 10.447 ( 1.982 0.000 6.892) 7.171 10.617 ( 0.971 0.000 0.888) 1.316 10.679 ( 2.993 0.000 -2.280) 3.763 10.922 ( 7.852 0.000 3.545) 8.616 10.958 ( -4.893 0.000 -0.868) 4.969 11.101 ( 4.963 0.000 -3.868) 6.293 11.143 ( -0.201 0.000 -1.170) 1.187 11.194 ( -1.876 0.000 4.491) 4.867 11.289 ( 3.717 0.000 -0.362) 3.735 11.340 ( 15.563 0.000 4.350) 16.159 11.414 ( 4.468 0.000 -0.707) 4.523 11.633 ( 1.512 0.000 -2.560) 2.973 11.673 ( 3.650 0.000 3.647) 5.159 11.914 ( 1.324 0.000 0.047) 1.325 11.970 ( 0.589 0.000 1.225) 1.360 12.051 ( 1.983 0.000 1.552) 2.519 12.123 ( -5.318 0.000 14.394) 15.345 12.307 ( -2.784 0.000 1.093) 2.991 12.433 ( -0.347 0.000 2.616) 2.639 12.582 ( 3.041 0.000 4.608) 5.521 12.770 ( 3.003 0.000 -1.814) 3.508 12.905 ( -10.617 0.000 -43.860) 45.127 12.966 ( -4.097 0.000 -0.494) 4.127 13.087 ( 0.216 0.000 1.981) 1.993 13.542 ( -1.126 0.000 0.807) 1.385 13.559 ( 3.171 0.000 -1.630) 3.565 13.780 ( 10.236 0.000 0.872) 10.273 13.835 ( 0.978 0.000 0.586) 1.140 13.930 ( 3.416 0.000 3.472) 4.870 13.949 ( 6.727 0.000 4.391) 8.033 14.105 ( 0.877 0.000 3.067) 3.190 14.276 ( -4.136 0.000 -0.813) 4.215 14.289 ( -2.001 0.000 2.473) 3.182 14.313 ( -5.513 0.000 -5.340) 7.675 14.355 ( -5.637 0.000 -5.113) 7.611 14.401 ( 0.379 0.000 -5.842) 5.854 14.517 ( -3.674 0.000 -2.133) 4.248 14.535 ( 0.240 0.000 -1.440) 1.459 14.690 ( -0.170 0.000 -0.693) 0.714 14.704 ( -1.836 0.000 1.492) 2.366 17.773 ( -0.456 0.000 3.359) 3.390 17.897 ( 2.961 0.000 1.593) 3.363 17.903 ( 0.429 0.000 2.315) 2.354 17.905 ( -0.054 0.000 -2.780) 2.781 18.008 ( 1.589 0.000 0.541) 1.679 18.154 ( 2.688 0.000 1.525) 3.091 18.174 ( -1.299 0.000 14.342) 14.401 18.247 ( -2.409 0.000 -1.946) 3.096 18.280 ( -0.287 0.000 -0.666) 0.726 18.416 ( -4.235 0.000 -2.407) 4.871 18.581 ( -1.682 0.000 8.950) 9.107 18.670 ( -0.635 0.000 -3.373) 3.432 18.933 ( 0.953 0.000 -0.327) 1.008 19.183 ( 0.244 0.000 -3.130) 3.139 19.240 ( 0.050 0.000 0.017) 0.053 19.272 ( 0.175 0.000 0.009) 0.175 19.850 ( -0.016 0.000 -0.075) 0.076 19.995 ( -0.201 0.000 -0.048) 0.207 20.532 ( 0.074 0.000 -0.234) 0.245 20.563 ( 0.008 0.000 -0.032) 0.033 20.711 ( -0.487 0.000 -0.336) 0.591 20.843 ( 1.225 0.000 1.683) 2.081 20.938 ( 0.113 0.000 0.180) 0.212 20.939 ( 0.168 0.000 0.101) 0.196 21.292 ( -0.336 0.000 -0.058) 0.341 21.575 ( 4.012 0.000 1.960) 4.465 21.587 ( -1.192 0.000 -5.885) 6.004 21.701 ( 3.669 0.000 -2.177) 4.266 21.802 ( 0.453 0.000 1.863) 1.917 21.826 ( -4.556 0.000 -2.056) 4.999 21.904 ( -3.437 0.000 -1.807) 3.883 22.170 ( -0.093 0.000 -0.018) 0.095 24.584 ( 0.923 0.000 -0.632) 1.119 24.686 ( -1.003 0.000 -0.398) 1.079 24.777 ( 0.460 0.000 0.080) 0.467 24.835 ( 1.608 0.000 0.972) 1.879 24.936 ( -0.240 0.000 0.106) 0.262 24.981 ( -0.665 0.000 -2.093) 2.196 25.014 ( -0.814 0.000 -0.328) 0.878 25.133 ( 0.682 0.000 0.232) 0.720 28.772 ( 2.446 0.000 0.621) 2.523 28.854 ( -0.778 0.000 0.184) 0.799 28.862 ( -0.148 0.000 -0.067) 0.163 28.907 ( 0.166 0.000 0.004) 0.166 29.110 ( -0.898 0.000 -0.376) 0.973 29.129 ( -0.292 0.000 -0.047) 0.296 29.190 ( -0.111 0.000 -0.009) 0.112 29.239 ( 0.017 0.000 0.001) 0.017 34.801 ( 1.197 0.000 0.109) 1.202 34.891 ( 4.649 0.000 5.702) 7.357 34.958 ( -1.195 0.000 -0.193) 1.211 35.056 ( 10.110 0.000 5.234) 11.385 35.160 ( -2.831 0.000 -4.922) 5.679 35.739 ( -16.137 0.000 -1.163) 16.179 36.257 ( 6.016 0.000 2.224) 6.414 36.598 ( -18.353 0.000 91.261) 93.089 37.985 ( 2.465 0.000 0.702) 2.563 38.000 ( 0.711 0.000 0.907) 1.152 38.117 ( -1.981 0.000 -1.137) 2.284 38.250 ( -0.533 0.000 0.138) 0.551 38.436 ( -3.576 0.000 -7.220) 8.057 38.517 ( -0.063 0.000 0.223) 0.232 38.683 ( 3.577 0.000 1.977) 4.087 39.041 ( 0.006 0.000 -0.891) 0.891 39.327 ( 3.776 0.000 4.280) 5.708 39.343 ( 4.684 0.000 -1.680) 4.976 39.540 ( -1.913 0.000 -2.898) 3.472 39.651 ( -2.304 0.000 2.921) 3.720 39.673 ( 0.524 0.000 -1.550) 1.636 39.698 ( 0.705 0.000 -1.807) 1.939 39.899 ( -11.631 0.000 2.114) 11.821 40.047 ( -11.500 0.000 7.849) 13.923 40.642 ( 9.558 0.000 -1.515) 9.677 40.860 ( -0.384 0.000 0.250) 0.458 41.129 ( 16.852 0.000 -3.108) 17.136 41.217 ( 3.927 0.000 -2.763) 4.802 41.518 ( -4.146 0.000 2.499) 4.840 41.743 ( -8.120 0.000 1.375) 8.235 43.243 ( 3.022 0.000 -14.296) 14.612 43.450 ( 5.713 0.000 -29.327) 29.878 ======================= Grid point 2 (3/57) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 30 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.632 ( 0.000 0.000 0.000) 0.000 1.650 ( -0.000 0.000 -0.000) 0.000 1.990 ( 0.000 0.000 -0.000) 0.000 2.148 ( 0.000 0.000 0.000) 0.000 3.015 ( 0.000 0.000 -0.000) 0.000 3.249 ( 0.000 0.000 0.000) 0.000 3.353 ( -0.000 0.000 -0.000) 0.000 3.372 ( 0.000 0.000 0.000) 0.000 3.679 ( 0.000 0.000 -0.000) 0.000 3.679 ( 0.000 0.000 -0.000) 0.000 3.840 ( -0.000 0.000 -0.000) 0.000 3.856 ( 0.000 0.000 0.000) 0.000 3.944 ( 0.000 0.000 0.000) 0.000 4.022 ( 0.000 0.000 0.000) 0.000 4.164 ( -0.000 0.000 -0.000) 0.000 4.192 ( 0.000 0.000 0.000) 0.000 4.213 ( -0.000 0.000 0.000) 0.000 4.224 ( 0.000 0.000 -0.000) 0.000 4.463 ( 0.000 0.000 0.000) 0.000 4.503 ( 0.000 0.000 0.000) 0.000 4.575 ( -0.000 0.000 -0.000) 0.000 4.887 ( 0.000 0.000 -0.000) 0.000 4.919 ( 0.000 0.000 0.000) 0.000 4.964 ( 0.000 0.000 0.000) 0.000 5.037 ( 0.000 0.000 0.000) 0.000 5.092 ( 0.000 0.000 0.000) 0.000 5.270 ( 0.000 0.000 -0.000) 0.000 5.361 ( 0.000 0.000 0.000) 0.000 5.375 ( -0.000 0.000 -0.000) 0.000 5.468 ( 0.000 0.000 -0.000) 0.000 5.683 ( 0.000 0.000 0.000) 0.000 5.746 ( 0.000 0.000 0.000) 0.000 5.759 ( -0.000 0.000 -0.000) 0.000 5.773 ( 0.000 0.000 0.000) 0.000 5.801 ( 0.000 0.000 -0.000) 0.000 5.859 ( 0.000 0.000 0.000) 0.000 5.881 ( 0.000 0.000 0.000) 0.000 6.188 ( 0.000 0.000 0.000) 0.000 6.311 ( 0.000 0.000 -0.000) 0.000 6.325 ( 0.000 0.000 -0.000) 0.000 6.336 ( -0.000 0.000 -0.000) 0.000 6.374 ( 0.000 0.000 -0.000) 0.000 6.395 ( 0.000 0.000 -0.000) 0.000 6.407 ( -0.000 0.000 0.000) 0.000 6.512 ( 0.000 0.000 0.000) 0.000 6.621 ( 0.000 0.000 0.000) 0.000 6.641 ( 0.000 0.000 0.000) 0.000 6.772 ( -0.000 0.000 0.000) 0.000 6.820 ( 0.000 0.000 -0.000) 0.000 6.829 ( 0.000 0.000 0.000) 0.000 6.915 ( 0.000 0.000 -0.000) 0.000 6.954 ( 0.000 0.000 -0.000) 0.000 7.052 ( 0.000 0.000 -0.000) 0.000 7.075 ( 0.000 0.000 0.000) 0.000 7.170 ( 0.000 0.000 0.000) 0.000 7.428 ( 0.000 0.000 0.000) 0.000 7.441 ( 0.000 0.000 0.000) 0.000 7.495 ( 0.000 0.000 0.000) 0.000 7.553 ( 0.000 0.000 -0.000) 0.000 7.616 ( 0.000 0.000 0.000) 0.000 7.674 ( 0.000 0.000 0.000) 0.000 7.718 ( 0.000 0.000 -0.000) 0.000 7.723 ( -0.000 0.000 0.000) 0.000 7.788 ( 0.000 0.000 -0.000) 0.000 7.902 ( 0.000 0.000 0.000) 0.000 8.075 ( 0.000 0.000 0.000) 0.000 8.201 ( 0.000 0.000 0.000) 0.000 8.261 ( 0.000 0.000 0.000) 0.000 8.317 ( 0.000 0.000 0.000) 0.000 8.373 ( 0.000 0.000 0.000) 0.000 8.428 ( 0.000 0.000 0.000) 0.000 8.672 ( 0.000 0.000 0.000) 0.000 8.729 ( 0.000 0.000 0.000) 0.000 8.731 ( 0.000 0.000 0.000) 0.000 8.764 ( 0.000 0.000 -0.000) 0.000 8.860 ( 0.000 0.000 -0.000) 0.000 8.902 ( 0.000 0.000 0.000) 0.000 8.949 ( 0.000 0.000 -0.000) 0.000 9.042 ( 0.000 0.000 0.000) 0.000 9.175 ( 0.000 0.000 0.000) 0.000 9.221 ( 0.000 0.000 0.000) 0.000 9.247 ( 0.000 0.000 0.000) 0.000 9.249 ( 0.000 0.000 -0.000) 0.000 9.258 ( 0.000 0.000 -0.000) 0.000 9.462 ( 0.000 0.000 -0.000) 0.000 9.520 ( 0.000 0.000 -0.000) 0.000 9.529 ( 0.000 0.000 -0.000) 0.000 9.576 ( 0.000 0.000 0.000) 0.000 9.647 ( 0.000 0.000 0.000) 0.000 9.976 ( 0.000 0.000 0.000) 0.000 10.024 ( 0.000 0.000 -0.000) 0.000 10.052 ( 0.000 0.000 0.000) 0.000 10.063 ( 0.000 0.000 0.000) 0.000 10.138 ( 0.000 0.000 -0.000) 0.000 10.160 ( 0.000 0.000 0.000) 0.000 10.271 ( 0.000 0.000 -0.000) 0.000 10.498 ( 0.000 0.000 -0.000) 0.000 10.611 ( 0.000 0.000 0.000) 0.000 10.742 ( 0.000 0.000 -0.000) 0.000 10.870 ( -0.000 0.000 0.000) 0.000 11.038 ( 0.000 0.000 0.000) 0.000 11.139 ( 0.000 0.000 -0.000) 0.000 11.146 ( 0.000 0.000 -0.000) 0.000 11.173 ( 0.000 0.000 0.000) 0.000 11.342 ( 0.000 0.000 0.000) 0.000 11.460 ( 0.000 0.000 0.000) 0.000 11.536 ( 0.000 0.000 0.000) 0.000 11.637 ( 0.000 0.000 -0.000) 0.000 11.856 ( 0.000 0.000 0.000) 0.000 11.944 ( 0.000 0.000 -0.000) 0.000 11.969 ( 0.000 0.000 -0.000) 0.000 12.018 ( 0.000 0.000 0.000) 0.000 12.120 ( 0.000 0.000 0.000) 0.000 12.272 ( 0.000 0.000 0.000) 0.000 12.421 ( 0.000 0.000 0.000) 0.000 12.629 ( 0.000 0.000 -0.000) 0.000 12.669 ( 0.000 0.000 0.000) 0.000 12.765 ( -0.000 0.000 -0.000) 0.000 12.928 ( 0.000 0.000 -0.000) 0.000 13.087 ( 0.000 0.000 0.000) 0.000 13.535 ( 0.000 0.000 0.000) 0.000 13.614 ( 0.000 0.000 -0.000) 0.000 13.807 ( 0.000 0.000 0.000) 0.000 13.936 ( 0.000 0.000 0.000) 0.000 14.015 ( 0.000 0.000 0.000) 0.000 14.080 ( 0.000 0.000 0.000) 0.000 14.103 ( 0.000 0.000 0.000) 0.000 14.199 ( 0.000 0.000 -0.000) 0.000 14.201 ( 0.000 0.000 0.000) 0.000 14.263 ( 0.000 0.000 -0.000) 0.000 14.268 ( 0.000 0.000 -0.000) 0.000 14.391 ( 0.000 0.000 0.000) 0.000 14.456 ( 0.000 0.000 0.000) 0.000 14.534 ( 0.000 0.000 0.000) 0.000 14.686 ( 0.000 0.000 0.000) 0.000 14.686 ( 0.000 0.000 0.000) 0.000 17.776 ( 0.000 0.000 0.000) 0.000 17.897 ( 0.000 0.000 0.000) 0.000 17.916 ( 0.000 0.000 0.000) 0.000 17.926 ( 0.000 0.000 -0.000) 0.000 18.067 ( 0.000 0.000 0.000) 0.000 18.157 ( 0.000 0.000 0.000) 0.000 18.199 ( 0.000 0.000 0.000) 0.000 18.244 ( 0.000 0.000 -0.000) 0.000 18.269 ( 0.000 0.000 -0.000) 0.000 18.331 ( 0.000 0.000 -0.000) 0.000 18.590 ( 0.000 0.000 0.000) 0.000 18.647 ( 0.000 0.000 0.000) 0.000 18.944 ( 0.000 0.000 0.000) 0.000 19.178 ( 0.000 0.000 0.000) 0.000 19.241 ( 0.000 0.000 0.000) 0.000 19.274 ( 0.000 0.000 -0.000) 0.000 19.849 ( 0.000 0.000 -0.000) 0.000 19.992 ( 0.000 0.000 -0.000) 0.000 20.532 ( 0.000 0.000 -0.000) 0.000 20.563 ( 0.000 0.000 -0.000) 0.000 20.704 ( 0.000 0.000 -0.000) 0.000 20.863 ( 0.000 0.000 0.000) 0.000 20.940 ( 0.000 0.000 0.000) 0.000 20.942 ( 0.000 0.000 -0.000) 0.000 21.288 ( 0.000 0.000 0.000) 0.000 21.558 ( 0.000 0.000 0.000) 0.000 21.670 ( 0.000 0.000 0.000) 0.000 21.723 ( 0.000 0.000 0.000) 0.000 21.753 ( 0.000 0.000 -0.000) 0.000 21.822 ( -0.000 0.000 -0.000) 0.000 21.833 ( 0.000 0.000 0.000) 0.000 22.169 ( 0.000 0.000 -0.000) 0.000 24.594 ( 0.000 0.000 -0.000) 0.000 24.673 ( 0.000 0.000 0.000) 0.000 24.783 ( 0.000 0.000 0.000) 0.000 24.859 ( 0.000 0.000 -0.000) 0.000 24.932 ( 0.000 0.000 0.000) 0.000 24.965 ( 0.000 0.000 -0.000) 0.000 25.005 ( 0.000 0.000 -0.000) 0.000 25.141 ( 0.000 0.000 -0.000) 0.000 28.820 ( 0.000 0.000 -0.000) 0.000 28.830 ( 0.000 0.000 0.000) 0.000 28.860 ( 0.000 0.000 0.000) 0.000 28.909 ( 0.000 0.000 0.000) 0.000 29.098 ( 0.000 0.000 0.000) 0.000 29.124 ( 0.000 0.000 -0.000) 0.000 29.189 ( 0.000 0.000 0.000) 0.000 29.240 ( 0.000 0.000 0.000) 0.000 34.823 ( 0.000 0.000 0.000) 0.000 34.921 ( 0.000 0.000 0.000) 0.000 35.031 ( -0.000 0.000 -0.000) 0.000 35.061 ( 0.000 0.000 0.000) 0.000 35.289 ( 0.000 0.000 0.000) 0.000 35.456 ( 0.000 0.000 0.000) 0.000 36.323 ( 0.000 0.000 0.000) 0.000 36.602 ( 0.000 0.000 -0.000) 0.000 38.013 ( 0.000 0.000 0.000) 0.000 38.042 ( -0.000 0.000 -0.000) 0.000 38.065 ( 0.000 0.000 0.000) 0.000 38.244 ( 0.000 0.000 -0.000) 0.000 38.379 ( 0.000 0.000 -0.000) 0.000 38.516 ( 0.000 0.000 -0.000) 0.000 38.726 ( 0.000 0.000 0.000) 0.000 39.038 ( 0.000 0.000 0.000) 0.000 39.421 ( 0.000 0.000 -0.000) 0.000 39.434 ( 0.000 0.000 -0.000) 0.000 39.461 ( 0.000 0.000 0.000) 0.000 39.603 ( 0.000 0.000 0.000) 0.000 39.676 ( 0.000 0.000 0.000) 0.000 39.705 ( 0.000 0.000 -0.000) 0.000 39.771 ( 0.000 0.000 -0.000) 0.000 39.931 ( 0.000 0.000 0.000) 0.000 40.747 ( 0.000 0.000 -0.000) 0.000 40.853 ( 0.000 0.000 -0.000) 0.000 41.279 ( 0.000 0.000 0.000) 0.000 41.393 ( 0.000 0.000 0.000) 0.000 41.455 ( 0.000 0.000 -0.000) 0.000 41.575 ( 0.000 0.000 -0.000) 0.000 43.245 ( 0.000 0.000 0.000) 0.000 43.446 ( 0.000 0.000 -0.000) 0.000 ======================= Grid point 5 (4/57) ======================= q-point: ( 0.00 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 57 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.622 ( 0.000 33.992 0.000) 33.992 0.743 ( 0.000 40.599 0.000) 40.599 1.357 ( 0.000 73.528 0.000) 73.528 2.277 ( 0.000 -24.617 0.000) 24.617 2.676 ( 0.000 -23.338 0.000) 23.338 2.943 ( 0.000 19.759 0.000) 19.759 2.986 ( 0.000 13.845 0.000) 13.845 3.262 ( 0.000 8.526 0.000) 8.526 3.456 ( 0.000 1.448 0.000) 1.448 3.573 ( 0.000 2.902 0.000) 2.902 3.582 ( 0.000 -4.747 0.000) 4.747 3.850 ( 0.000 3.433 0.000) 3.433 4.034 ( 0.000 -4.352 0.000) 4.352 4.087 ( 0.000 2.267 0.000) 2.267 4.215 ( 0.000 -4.422 0.000) 4.422 4.352 ( 0.000 10.171 0.000) 10.171 4.398 ( 0.000 0.262 0.000) 0.262 4.489 ( 0.000 -7.728 0.000) 7.728 4.741 ( 0.000 -9.141 0.000) 9.141 4.746 ( 0.000 -3.458 0.000) 3.458 4.779 ( 0.000 -1.421 0.000) 1.421 4.814 ( 0.000 -0.993 0.000) 0.993 4.948 ( 0.000 -12.506 0.000) 12.506 5.027 ( 0.000 -13.793 0.000) 13.793 5.080 ( 0.000 5.033 0.000) 5.033 5.162 ( 0.000 -7.149 0.000) 7.149 5.291 ( 0.000 -6.298 0.000) 6.298 5.381 ( 0.000 -4.808 0.000) 4.808 5.440 ( 0.000 0.591 0.000) 0.591 5.482 ( 0.000 -5.290 0.000) 5.290 5.503 ( 0.000 -3.352 0.000) 3.352 5.596 ( 0.000 6.124 0.000) 6.124 5.682 ( 0.000 -2.262 0.000) 2.262 5.695 ( 0.000 0.731 0.000) 0.731 5.798 ( 0.000 -3.283 0.000) 3.283 5.897 ( 0.000 5.711 0.000) 5.711 5.972 ( 0.000 -5.340 0.000) 5.340 6.153 ( 0.000 -4.304 0.000) 4.304 6.181 ( 0.000 -3.290 0.000) 3.290 6.184 ( 0.000 -1.170 0.000) 1.170 6.271 ( 0.000 -15.171 0.000) 15.171 6.337 ( 0.000 1.931 0.000) 1.931 6.386 ( 0.000 -2.909 0.000) 2.909 6.464 ( 0.000 2.411 0.000) 2.411 6.514 ( 0.000 -1.002 0.000) 1.002 6.644 ( 0.000 1.960 0.000) 1.960 6.666 ( 0.000 2.039 0.000) 2.039 6.759 ( 0.000 4.363 0.000) 4.363 6.782 ( 0.000 1.029 0.000) 1.029 6.856 ( 0.000 -0.835 0.000) 0.835 6.975 ( 0.000 -4.013 0.000) 4.013 7.014 ( 0.000 2.889 0.000) 2.889 7.084 ( 0.000 -3.089 0.000) 3.089 7.175 ( 0.000 -1.038 0.000) 1.038 7.234 ( 0.000 8.301 0.000) 8.301 7.271 ( 0.000 3.802 0.000) 3.802 7.321 ( 0.000 4.083 0.000) 4.083 7.447 ( 0.000 -4.437 0.000) 4.437 7.609 ( 0.000 -0.068 0.000) 0.068 7.759 ( 0.000 7.902 0.000) 7.902 7.800 ( 0.000 -5.612 0.000) 5.612 7.877 ( 0.000 -8.270 0.000) 8.270 7.972 ( 0.000 4.664 0.000) 4.664 8.005 ( 0.000 3.792 0.000) 3.792 8.057 ( 0.000 14.312 0.000) 14.312 8.130 ( 0.000 -1.877 0.000) 1.877 8.204 ( 0.000 4.355 0.000) 4.355 8.333 ( 0.000 11.149 0.000) 11.149 8.373 ( 0.000 0.380 0.000) 0.380 8.445 ( 0.000 5.544 0.000) 5.544 8.534 ( 0.000 2.771 0.000) 2.771 8.593 ( 0.000 3.291 0.000) 3.291 8.675 ( 0.000 -0.999 0.000) 0.999 8.715 ( 0.000 1.496 0.000) 1.496 8.858 ( 0.000 3.542 0.000) 3.542 8.928 ( 0.000 3.679 0.000) 3.679 8.984 ( 0.000 -1.265 0.000) 1.265 8.997 ( 0.000 -5.360 0.000) 5.360 9.059 ( 0.000 -0.053 0.000) 0.053 9.119 ( 0.000 -1.543 0.000) 1.543 9.152 ( 0.000 -3.068 0.000) 3.068 9.196 ( 0.000 1.521 0.000) 1.521 9.223 ( 0.000 1.338 0.000) 1.338 9.297 ( 0.000 -3.371 0.000) 3.371 9.450 ( 0.000 -1.981 0.000) 1.981 9.537 ( 0.000 2.605 0.000) 2.605 9.540 ( 0.000 -1.229 0.000) 1.229 9.726 ( 0.000 -2.041 0.000) 2.041 9.793 ( 0.000 -0.287 0.000) 0.287 9.942 ( 0.000 2.904 0.000) 2.904 9.955 ( 0.000 -11.052 0.000) 11.052 9.997 ( 0.000 0.516 0.000) 0.516 10.053 ( 0.000 4.479 0.000) 4.479 10.102 ( 0.000 0.201 0.000) 0.201 10.392 ( 0.000 -5.768 0.000) 5.768 10.444 ( 0.000 1.203 0.000) 1.203 10.596 ( 0.000 0.044 0.000) 0.044 10.739 ( 0.000 4.122 0.000) 4.122 10.848 ( 0.000 6.174 0.000) 6.174 10.961 ( 0.000 -5.899 0.000) 5.899 10.977 ( 0.000 1.354 0.000) 1.354 11.005 ( 0.000 -1.524 0.000) 1.524 11.100 ( 0.000 -5.278 0.000) 5.278 11.134 ( 0.000 -1.994 0.000) 1.994 11.138 ( 0.000 -3.719 0.000) 3.719 11.249 ( 0.000 -2.483 0.000) 2.483 11.317 ( 0.000 -0.954 0.000) 0.954 11.341 ( 0.000 -0.551 0.000) 0.551 11.661 ( 0.000 3.073 0.000) 3.073 11.679 ( 0.000 2.885 0.000) 2.885 11.960 ( 0.000 0.733 0.000) 0.733 12.023 ( 0.000 0.160 0.000) 0.160 12.175 ( 0.000 -0.671 0.000) 0.671 12.277 ( 0.000 -5.127 0.000) 5.127 12.456 ( 0.000 3.343 0.000) 3.343 12.516 ( 0.000 4.367 0.000) 4.367 12.732 ( 0.000 0.300 0.000) 0.300 12.773 ( 0.000 -1.944 0.000) 1.944 13.056 ( 0.000 1.740 0.000) 1.740 13.197 ( 0.000 -1.510 0.000) 1.510 13.555 ( 0.000 0.645 0.000) 0.645 13.583 ( 0.000 -0.512 0.000) 0.512 13.664 ( 0.000 2.939 0.000) 2.939 13.722 ( 0.000 0.241 0.000) 0.241 13.898 ( 0.000 0.932 0.000) 0.932 13.910 ( 0.000 0.154 0.000) 0.154 14.100 ( 0.000 1.741 0.000) 1.741 14.288 ( 0.000 0.268 0.000) 0.268 14.317 ( 0.000 -0.295 0.000) 0.295 14.352 ( 0.000 -4.463 0.000) 4.463 14.391 ( 0.000 0.773 0.000) 0.773 14.471 ( 0.000 0.967 0.000) 0.967 14.519 ( 0.000 -1.104 0.000) 1.104 14.556 ( 0.000 -0.621 0.000) 0.621 14.734 ( 0.000 0.980 0.000) 0.980 14.765 ( 0.000 0.264 0.000) 0.264 17.749 ( 0.000 0.109 0.000) 0.109 17.762 ( 0.000 -0.672 0.000) 0.672 17.860 ( 0.000 0.812 0.000) 0.812 17.881 ( 0.000 -0.838 0.000) 0.838 18.003 ( 0.000 0.547 0.000) 0.547 18.010 ( 0.000 -0.426 0.000) 0.426 18.128 ( 0.000 1.312 0.000) 1.312 18.262 ( 0.000 -1.768 0.000) 1.768 18.289 ( 0.000 0.466 0.000) 0.466 18.369 ( 0.000 -1.925 0.000) 1.925 18.491 ( 0.000 2.000 0.000) 2.000 18.646 ( 0.000 -3.469 0.000) 3.469 18.935 ( 0.000 1.500 0.000) 1.500 19.113 ( 0.000 -4.215 0.000) 4.215 19.287 ( 0.000 3.295 0.000) 3.295 19.356 ( 0.000 0.958 0.000) 0.958 20.016 ( 0.000 7.714 0.000) 7.714 20.406 ( 0.000 -2.930 0.000) 2.930 20.495 ( 0.000 0.618 0.000) 0.618 20.591 ( 0.000 2.584 0.000) 2.584 20.710 ( 0.000 -0.981 0.000) 0.981 20.736 ( 0.000 -6.462 0.000) 6.462 20.940 ( 0.000 0.434 0.000) 0.434 20.951 ( 0.000 0.816 0.000) 0.816 21.551 ( 0.000 2.284 0.000) 2.284 21.631 ( 0.000 -0.148 0.000) 0.148 21.642 ( 0.000 1.588 0.000) 1.588 21.782 ( 0.000 -1.163 0.000) 1.163 21.841 ( 0.000 -0.273 0.000) 0.273 21.925 ( 0.000 -2.159 0.000) 2.159 22.201 ( 0.000 2.979 0.000) 2.979 22.377 ( 0.000 -1.819 0.000) 1.819 24.580 ( 0.000 0.744 0.000) 0.744 24.672 ( 0.000 -2.235 0.000) 2.235 24.797 ( 0.000 2.044 0.000) 2.044 24.816 ( 0.000 0.586 0.000) 0.586 24.950 ( 0.000 -0.582 0.000) 0.582 24.964 ( 0.000 -1.869 0.000) 1.869 25.052 ( 0.000 1.808 0.000) 1.808 25.119 ( 0.000 -0.482 0.000) 0.482 28.748 ( 0.000 0.755 0.000) 0.755 28.827 ( 0.000 -1.597 0.000) 1.597 28.877 ( 0.000 0.812 0.000) 0.812 28.906 ( 0.000 -0.261 0.000) 0.261 29.121 ( 0.000 0.306 0.000) 0.306 29.126 ( 0.000 0.074 0.000) 0.074 29.195 ( 0.000 0.427 0.000) 0.427 29.235 ( 0.000 -0.506 0.000) 0.506 34.798 ( 0.000 -0.113 0.000) 0.113 34.804 ( 0.000 -0.581 0.000) 0.581 34.856 ( 0.000 1.428 0.000) 1.428 34.928 ( 0.000 -0.725 0.000) 0.725 34.998 ( 0.000 2.314 0.000) 2.314 35.181 ( 0.000 -2.057 0.000) 2.057 36.004 ( 0.000 0.903 0.000) 0.903 36.121 ( 0.000 -1.866 0.000) 1.866 37.927 ( 0.000 0.610 0.000) 0.610 37.954 ( 0.000 -0.305 0.000) 0.305 38.106 ( 0.000 0.845 0.000) 0.845 38.184 ( 0.000 -0.799 0.000) 0.799 38.275 ( 0.000 2.032 0.000) 2.032 38.502 ( 0.000 -3.242 0.000) 3.242 38.555 ( 0.000 4.121 0.000) 4.121 38.986 ( 0.000 -6.810 0.000) 6.810 39.270 ( 0.000 1.411 0.000) 1.411 39.368 ( 0.000 3.449 0.000) 3.449 39.535 ( 0.000 -2.853 0.000) 2.853 39.624 ( 0.000 -4.208 0.000) 4.208 39.694 ( 0.000 2.594 0.000) 2.594 39.966 ( 0.000 -5.896 0.000) 5.896 40.158 ( 0.000 3.987 0.000) 3.987 40.221 ( 0.000 0.443 0.000) 0.443 40.882 ( 0.000 2.023 0.000) 2.023 40.932 ( 0.000 1.567 0.000) 1.567 41.114 ( 0.000 -1.881 0.000) 1.881 41.159 ( 0.000 -2.361 0.000) 2.361 41.397 ( 0.000 2.218 0.000) 2.218 41.649 ( 0.000 -7.257 0.000) 7.257 42.100 ( 0.000 18.770 0.000) 18.770 43.198 ( 0.000 -12.916 0.000) 12.916 ======================= Grid point 6 (5/57) ======================= q-point: ( 0.25 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.234 ( 43.213 17.433 1.935) 46.638 1.373 ( 27.193 40.774 8.547) 49.750 2.230 ( 71.224 29.214 23.241) 80.414 2.498 ( 18.139 -21.792 4.874) 28.769 2.582 ( -24.161 23.064 -4.696) 33.730 2.926 ( -12.063 3.343 5.574) 13.702 2.994 ( 4.407 -10.173 8.525) 13.985 3.191 ( 10.933 8.843 3.731) 14.548 3.371 ( -2.501 -2.976 1.836) 4.299 3.606 ( 5.536 -3.451 1.121) 6.619 3.778 ( -1.671 -3.783 1.823) 4.520 3.859 ( 6.974 1.043 -1.990) 7.327 3.963 ( -3.711 2.150 2.548) 4.988 4.056 ( -4.536 -2.341 3.075) 5.959 4.200 ( -1.759 4.390 0.869) 4.808 4.286 ( 1.453 -1.892 0.558) 2.450 4.383 ( -5.672 -3.368 -4.352) 7.903 4.453 ( -2.858 6.484 -0.115) 7.087 4.654 ( -2.949 -2.496 -0.852) 3.957 4.715 ( -6.353 -4.759 -1.365) 8.054 4.780 ( 1.769 4.190 -1.172) 4.697 4.862 ( -0.328 -0.932 -2.100) 2.321 4.968 ( 5.387 -11.915 -1.697) 13.186 4.984 ( -1.673 -1.045 0.869) 2.155 5.166 ( -1.749 -2.842 -2.287) 4.046 5.182 ( -3.789 -2.222 -0.468) 4.417 5.238 ( -3.476 -11.106 1.120) 11.692 5.269 ( -12.474 3.066 -10.592) 16.649 5.393 ( -2.529 -1.852 -4.035) 5.110 5.490 ( 3.370 -2.503 -1.257) 4.382 5.548 ( -0.689 -0.581 -2.141) 2.323 5.575 ( 2.884 -7.414 6.904) 10.533 5.671 ( -3.561 2.000 -6.767) 7.903 5.743 ( 3.261 -4.450 -0.171) 5.520 5.785 ( 2.205 -1.023 1.738) 2.988 5.871 ( -4.172 -3.190 -2.051) 5.638 5.956 ( 1.479 2.616 4.273) 5.224 6.002 ( -3.867 -0.133 -4.216) 5.722 6.153 ( -3.724 -15.954 1.275) 16.432 6.224 ( 3.533 -0.943 -3.098) 4.793 6.262 ( 4.018 -0.902 4.566) 6.149 6.339 ( 2.469 -5.947 -4.883) 8.081 6.379 ( -2.971 1.156 -0.293) 3.201 6.422 ( -7.247 -0.431 -0.824) 7.306 6.507 ( 0.421 -6.376 -0.864) 6.448 6.608 ( 0.962 -4.477 -3.559) 5.799 6.671 ( -4.418 0.891 -2.659) 5.233 6.702 ( -6.231 -3.361 -4.731) 8.515 6.787 ( 3.913 0.246 -0.656) 3.975 6.835 ( -1.009 1.761 2.065) 2.895 6.934 ( -2.475 -6.568 1.081) 7.101 7.002 ( 1.368 -1.481 -3.935) 4.422 7.122 ( -0.730 -0.156 -3.351) 3.433 7.171 ( -7.313 3.021 -2.332) 8.249 7.195 ( 1.659 1.797 -0.474) 2.491 7.314 ( 0.460 -1.655 -3.557) 3.950 7.369 ( 8.436 2.553 7.029) 11.274 7.484 ( -0.583 -2.435 3.253) 4.105 7.641 ( -5.466 -1.898 1.456) 5.966 7.665 ( -5.665 1.175 -6.269) 8.531 7.772 ( 0.803 2.041 -0.589) 2.271 7.821 ( -4.425 3.596 0.597) 5.733 7.881 ( -5.449 -1.928 2.146) 6.166 7.935 ( -10.390 3.316 2.556) 11.202 7.988 ( -3.822 7.171 -0.870) 8.172 8.093 ( -0.451 -1.979 1.505) 2.526 8.207 ( 1.552 2.604 -2.668) 4.039 8.315 ( -4.438 2.288 -1.268) 5.152 8.325 ( -0.706 9.548 -0.624) 9.594 8.430 ( 3.034 7.671 6.094) 10.257 8.574 ( -2.916 8.121 -2.666) 9.031 8.585 ( 3.389 2.811 -2.004) 4.838 8.656 ( -0.373 -1.753 1.891) 2.605 8.764 ( 7.194 1.559 -4.004) 8.380 8.863 ( -3.024 3.023 -4.448) 6.170 8.898 ( 1.305 2.789 -2.167) 3.766 8.968 ( -2.394 2.244 2.801) 4.314 8.982 ( -3.445 0.721 3.814) 5.190 9.096 ( 2.430 1.751 3.080) 4.296 9.150 ( 1.531 -2.449 -2.247) 3.659 9.190 ( 2.797 -0.640 0.551) 2.922 9.225 ( 2.069 -0.636 2.076) 3.000 9.275 ( 3.994 2.211 -0.076) 4.566 9.326 ( 0.843 -0.791 0.551) 1.281 9.423 ( -2.828 -3.401 2.846) 5.260 9.510 ( 1.511 1.641 1.975) 2.980 9.579 ( -8.206 9.532 -3.403) 13.029 9.612 ( -2.479 4.440 2.769) 5.790 9.693 ( -4.732 -0.137 2.084) 5.173 9.873 ( 4.966 -1.201 3.372) 6.121 9.940 ( 2.267 2.033 -3.854) 4.911 10.039 ( -0.208 -2.481 -0.169) 2.495 10.101 ( -0.711 0.263 1.410) 1.601 10.131 ( 2.602 -2.475 0.163) 3.595 10.310 ( -5.253 6.110 -0.527) 8.075 10.443 ( -1.795 -1.993 -3.039) 4.054 10.452 ( -8.257 6.825 1.060) 10.765 10.570 ( -0.669 -1.269 2.633) 2.999 10.726 ( -0.209 2.734 -1.633) 3.191 10.901 ( 2.199 -1.598 -0.201) 2.726 10.977 ( -1.257 1.462 0.354) 1.960 11.056 ( 0.761 -4.695 0.733) 4.812 11.084 ( -0.851 -6.873 -1.144) 7.020 11.147 ( 1.851 -3.469 0.262) 3.941 11.255 ( 9.445 -1.543 4.554) 10.599 11.339 ( 6.377 -0.849 0.968) 6.506 11.433 ( 10.927 1.821 -0.606) 11.094 11.664 ( 1.361 -2.013 3.012) 3.870 11.671 ( 1.573 2.653 0.798) 3.186 11.809 ( 8.866 -6.931 -0.192) 11.256 11.980 ( 1.361 1.182 1.180) 2.154 12.054 ( 2.355 0.099 1.082) 2.593 12.135 ( -4.322 0.694 8.366) 9.442 12.267 ( -1.569 -4.261 1.566) 4.803 12.440 ( -1.695 1.947 1.124) 2.816 12.639 ( 6.730 3.880 0.759) 7.805 12.661 ( -3.921 -5.784 -10.786) 12.852 12.832 ( 3.996 -1.687 -5.540) 7.036 13.061 ( -4.622 2.015 -1.750) 5.337 13.104 ( -5.315 1.530 -3.784) 6.701 13.538 ( -0.832 0.618 -0.507) 1.154 13.586 ( 1.130 0.722 -0.694) 1.510 13.789 ( 8.630 1.505 1.352) 8.864 13.831 ( 5.355 0.038 2.610) 5.957 13.927 ( 4.500 -0.496 3.572) 5.767 13.942 ( 4.018 -0.082 4.019) 5.684 14.112 ( 0.234 0.841 2.310) 2.470 14.251 ( -4.643 -1.919 -1.389) 5.213 14.271 ( -1.012 -0.927 -0.392) 1.427 14.322 ( -4.342 -0.605 -4.851) 6.538 14.347 ( -2.525 -0.380 -4.650) 5.305 14.390 ( -4.314 0.036 -6.534) 7.830 14.515 ( -0.124 -1.671 -0.859) 1.883 14.524 ( -2.231 -0.287 -2.639) 3.468 14.710 ( -1.789 1.286 -0.425) 2.244 14.714 ( -1.862 1.180 -0.604) 2.285 17.776 ( 0.226 0.445 3.554) 3.589 17.871 ( 2.247 -2.419 1.157) 3.498 17.890 ( 0.682 -1.122 2.004) 2.396 17.907 ( 2.698 -0.274 0.947) 2.872 18.014 ( 1.692 0.605 1.196) 2.159 18.086 ( 4.468 -5.010 9.897) 11.958 18.157 ( 1.907 0.271 1.259) 2.301 18.253 ( -1.380 -0.316 -1.273) 1.904 18.263 ( -1.388 -0.919 -1.078) 1.983 18.383 ( -1.170 -4.081 0.605) 4.288 18.475 ( 0.759 -0.964 -1.037) 1.606 18.615 ( -2.171 -4.274 -3.371) 5.861 18.946 ( 0.845 1.495 0.140) 1.723 19.120 ( 0.568 -4.242 -0.423) 4.300 19.287 ( 0.030 3.267 -0.054) 3.268 19.340 ( -1.020 2.629 -0.324) 2.839 20.019 ( 0.517 9.416 -0.359) 9.437 20.205 ( -10.929 12.912 -0.738) 16.932 20.512 ( 0.063 -0.592 1.191) 1.332 20.595 ( 0.253 2.391 -0.393) 2.436 20.697 ( -0.510 -1.617 -0.652) 1.817 20.763 ( 1.494 -5.666 1.221) 5.986 20.935 ( -0.037 -0.022 0.107) 0.115 20.955 ( 0.165 0.402 -0.147) 0.459 21.536 ( -11.181 12.003 5.785) 17.394 21.579 ( -0.043 0.952 -1.835) 2.068 21.626 ( -1.724 3.750 -3.456) 5.383 21.706 ( 0.897 -0.126 -2.576) 2.731 21.821 ( -0.104 1.958 1.363) 2.388 21.863 ( -7.584 7.833 -8.395) 13.761 21.901 ( -2.746 -0.541 -0.694) 2.883 22.169 ( -1.849 -0.213 -1.085) 2.155 24.591 ( 0.920 0.758 -0.552) 1.313 24.671 ( -0.218 -1.441 -0.513) 1.545 24.785 ( -0.410 0.940 -0.026) 1.026 24.845 ( 1.829 0.682 0.918) 2.157 24.924 ( -1.446 -0.910 0.023) 1.708 24.965 ( 0.101 -1.020 -1.066) 1.479 25.044 ( -0.598 2.185 -0.750) 2.386 25.127 ( 0.622 -0.631 0.148) 0.899 28.778 ( 2.349 0.663 0.586) 2.510 28.841 ( 0.245 -1.090 0.146) 1.127 28.871 ( -0.528 0.653 -0.098) 0.845 28.904 ( -0.004 -0.349 -0.131) 0.373 29.111 ( -0.820 0.126 -0.324) 0.891 29.125 ( -0.280 -0.293 0.089) 0.415 29.195 ( -0.034 0.528 0.023) 0.530 29.235 ( 0.020 -0.461 0.027) 0.462 34.812 ( 1.562 1.178 0.371) 1.991 34.887 ( 4.357 -0.575 4.496) 6.287 34.975 ( -1.730 1.874 -0.239) 2.561 35.076 ( 11.690 2.303 8.592) 14.689 35.141 ( -2.823 -2.063 -3.654) 5.058 35.778 ( -12.320 2.916 0.094) 12.661 35.950 ( 15.735 -36.635 73.584) 83.692 36.275 ( 12.620 -11.518 -15.894) 23.335 37.971 ( 2.162 -0.515 -0.702) 2.331 38.013 ( 3.458 0.351 -0.560) 3.520 38.122 ( -1.782 0.360 0.285) 1.840 38.255 ( 5.556 -8.688 -4.438) 11.227 38.269 ( 0.989 -1.362 -0.330) 1.715 38.480 ( -0.818 -4.437 -1.133) 4.651 38.587 ( 3.419 1.684 -1.226) 4.004 38.960 ( -1.979 -8.003 -0.869) 8.290 39.308 ( 3.398 0.698 1.110) 3.642 39.399 ( 3.617 3.789 -1.820) 5.545 39.514 ( -2.001 -2.624 -1.973) 3.844 39.612 ( -1.030 -2.784 0.524) 3.015 39.699 ( 0.230 2.249 -1.276) 2.596 39.825 ( -8.519 1.051 0.348) 8.591 39.959 ( -12.162 6.140 4.918) 14.484 40.065 ( -12.147 1.308 7.202) 14.182 40.741 ( 1.299 7.310 0.618) 7.450 40.865 ( -0.443 0.411 -0.191) 0.634 41.103 ( 7.366 -0.820 -1.041) 7.484 41.273 ( 3.949 -0.091 -1.563) 4.248 41.474 ( 6.790 4.190 -0.992) 8.040 41.960 ( -7.063 17.465 1.346) 18.888 42.705 ( 39.225 -41.088 -27.892) 63.284 43.195 ( -1.754 -16.418 7.173) 18.002 ======================= Grid point 7 (6/57) ======================= q-point: (-0.50 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.962 ( 0.000 30.452 0.000) 30.452 1.966 ( -0.000 31.544 -0.000) 31.544 2.079 ( -0.000 9.322 -0.000) 9.322 2.246 ( 0.000 10.800 0.000) 10.800 2.874 ( 0.000 -12.425 0.000) 12.425 3.057 ( 0.000 -14.629 -0.000) 14.629 3.459 ( -0.000 0.591 -0.000) 0.591 3.470 ( 0.000 6.532 0.000) 6.532 3.551 ( -0.000 -2.797 0.000) 2.797 3.688 ( 0.000 -19.013 0.000) 19.013 3.789 ( -0.000 5.307 -0.000) 5.307 3.847 ( 0.000 -2.048 0.000) 2.048 3.964 ( -0.000 6.046 -0.000) 6.046 4.025 ( 0.000 2.587 0.000) 2.587 4.033 ( 0.000 -0.614 0.000) 0.614 4.188 ( 0.000 3.712 -0.000) 3.712 4.343 ( 0.000 8.222 0.000) 8.222 4.378 ( 0.000 4.746 -0.000) 4.746 4.463 ( 0.000 2.342 -0.000) 2.342 4.653 ( -0.000 6.197 -0.000) 6.197 4.671 ( 0.000 10.254 0.000) 10.254 4.753 ( 0.000 -6.475 -0.000) 6.475 4.876 ( 0.000 -0.717 -0.000) 0.717 4.912 ( 0.000 -4.364 0.000) 4.364 5.043 ( 0.000 -6.219 0.000) 6.219 5.106 ( 0.000 1.624 0.000) 1.624 5.260 ( 0.000 -2.758 0.000) 2.758 5.298 ( 0.000 -11.297 -0.000) 11.297 5.414 ( 0.000 4.884 -0.000) 4.884 5.519 ( 0.000 7.607 0.000) 7.607 5.606 ( 0.000 -6.671 0.000) 6.671 5.627 ( -0.000 -7.082 -0.000) 7.082 5.629 ( 0.000 -12.190 0.000) 12.190 5.777 ( 0.000 -13.314 -0.000) 13.314 5.789 ( 0.000 -2.271 0.000) 2.271 5.856 ( 0.000 4.443 -0.000) 4.443 5.881 ( 0.000 3.760 0.000) 3.760 6.101 ( 0.000 -22.842 -0.000) 22.842 6.216 ( 0.000 -7.618 0.000) 7.618 6.229 ( 0.000 3.540 -0.000) 3.540 6.303 ( 0.000 -2.114 -0.000) 2.114 6.329 ( -0.000 -8.528 -0.000) 8.528 6.342 ( 0.000 -2.597 0.000) 2.597 6.353 ( -0.000 -6.708 -0.000) 6.708 6.450 ( 0.000 2.247 0.000) 2.247 6.578 ( -0.000 -3.492 0.000) 3.492 6.593 ( 0.000 -9.360 -0.000) 9.360 6.670 ( 0.000 -3.415 0.000) 3.415 6.747 ( 0.000 2.530 0.000) 2.530 6.824 ( 0.000 1.571 0.000) 1.571 6.924 ( 0.000 -1.777 -0.000) 1.777 7.018 ( 0.000 -1.505 0.000) 1.505 7.044 ( 0.000 3.449 0.000) 3.449 7.202 ( 0.000 -1.646 0.000) 1.646 7.227 ( 0.000 3.589 -0.000) 3.589 7.309 ( 0.000 -6.570 0.000) 6.570 7.398 ( 0.000 0.588 0.000) 0.588 7.482 ( 0.000 0.342 0.000) 0.342 7.518 ( -0.000 -1.022 -0.000) 1.022 7.551 ( 0.000 -2.792 0.000) 2.792 7.766 ( 0.000 0.920 0.000) 0.920 7.778 ( 0.000 2.575 -0.000) 2.575 7.800 ( 0.000 5.790 0.000) 5.790 7.893 ( 0.000 6.118 0.000) 6.118 8.012 ( 0.000 0.012 0.000) 0.012 8.048 ( 0.000 16.346 -0.000) 16.346 8.167 ( 0.000 -4.891 0.000) 4.891 8.267 ( 0.000 -0.514 0.000) 0.514 8.353 ( 0.000 11.588 0.000) 11.588 8.490 ( 0.000 7.993 0.000) 7.993 8.525 ( 0.000 5.827 -0.000) 5.827 8.632 ( 0.000 -3.300 0.000) 3.300 8.691 ( 0.000 2.942 0.000) 2.942 8.797 ( 0.000 2.566 0.000) 2.566 8.869 ( 0.000 3.925 0.000) 3.925 8.900 ( 0.000 1.564 0.000) 1.564 8.918 ( -0.000 4.985 0.000) 4.985 8.945 ( 0.000 0.470 -0.000) 0.470 9.128 ( 0.000 3.236 0.000) 3.236 9.154 ( 0.000 -0.013 0.000) 0.013 9.244 ( 0.000 0.518 0.000) 0.518 9.257 ( 0.000 -0.791 -0.000) 0.791 9.286 ( 0.000 6.959 0.000) 6.959 9.328 ( 0.000 1.602 -0.000) 1.602 9.411 ( 0.000 -4.382 -0.000) 4.382 9.474 ( 0.000 0.418 0.000) 0.418 9.556 ( 0.000 2.803 0.000) 2.803 9.626 ( 0.000 3.365 -0.000) 3.365 9.644 ( 0.000 -0.355 0.000) 0.355 9.976 ( 0.000 -0.104 -0.000) 0.104 9.985 ( 0.000 -2.341 0.000) 2.341 10.040 ( 0.000 -2.732 0.000) 2.732 10.070 ( 0.000 0.949 0.000) 0.949 10.125 ( 0.000 -0.611 -0.000) 0.611 10.252 ( 0.000 7.651 -0.000) 7.651 10.316 ( 0.000 2.668 0.000) 2.668 10.458 ( 0.000 -2.109 -0.000) 2.109 10.580 ( 0.000 -1.427 0.000) 1.427 10.742 ( 0.000 -0.287 -0.000) 0.287 10.870 ( 0.000 -0.275 -0.000) 0.275 11.023 ( 0.000 -6.898 0.000) 6.898 11.026 ( -0.000 -0.654 -0.000) 0.654 11.080 ( 0.000 -9.259 0.000) 9.259 11.178 ( 0.000 -2.588 0.000) 2.588 11.362 ( 0.000 2.061 -0.000) 2.061 11.401 ( 0.000 -0.914 0.000) 0.914 11.640 ( 0.000 6.197 0.000) 6.197 11.643 ( -0.000 -0.394 -0.000) 0.394 11.741 ( 0.000 -7.341 0.000) 7.341 11.912 ( 0.000 -4.194 0.000) 4.194 12.022 ( 0.000 4.729 0.000) 4.729 12.048 ( 0.000 1.921 -0.000) 1.921 12.119 ( 0.000 -0.192 -0.000) 0.192 12.245 ( 0.000 -3.301 0.000) 3.301 12.400 ( 0.000 -0.275 0.000) 0.275 12.541 ( 0.000 -4.487 -0.000) 4.487 12.779 ( 0.000 6.356 0.000) 6.356 12.828 ( -0.000 5.178 -0.000) 5.178 12.933 ( 0.000 0.562 -0.000) 0.562 13.074 ( 0.000 -1.548 -0.000) 1.548 13.534 ( 0.000 0.080 0.000) 0.080 13.605 ( 0.000 -1.085 -0.000) 1.085 13.838 ( 0.000 3.126 0.000) 3.126 13.934 ( 0.000 0.031 0.000) 0.031 14.022 ( 0.000 0.854 0.000) 0.854 14.093 ( 0.000 1.008 0.000) 1.008 14.097 ( -0.000 -0.639 -0.000) 0.639 14.169 ( 0.000 -2.441 -0.000) 2.441 14.211 ( 0.000 0.234 0.000) 0.234 14.257 ( 0.000 -1.287 -0.000) 1.287 14.265 ( 0.000 0.264 -0.000) 0.264 14.340 ( 0.000 -3.210 0.000) 3.210 14.483 ( 0.000 1.141 0.000) 1.141 14.513 ( 0.000 -1.728 0.000) 1.728 14.691 ( 0.000 0.576 -0.000) 0.576 14.693 ( 0.000 0.654 0.000) 0.654 17.787 ( 0.000 1.173 0.000) 1.173 17.889 ( 0.000 -0.881 0.000) 0.881 17.904 ( 0.000 -1.018 0.000) 1.018 17.925 ( 0.000 -0.220 -0.000) 0.220 18.078 ( 0.000 1.099 0.000) 1.099 18.143 ( 0.000 -1.591 0.000) 1.591 18.187 ( 0.000 -1.054 0.000) 1.054 18.226 ( 0.000 -3.121 -0.000) 3.121 18.254 ( 0.000 0.107 0.000) 0.107 18.327 ( 0.000 -0.709 -0.000) 0.709 18.531 ( 0.000 -4.122 0.000) 4.122 18.548 ( -0.000 -7.022 -0.000) 7.022 18.957 ( 0.000 1.456 0.000) 1.456 19.125 ( 0.000 -3.984 0.000) 3.984 19.287 ( 0.000 3.248 0.000) 3.248 19.328 ( 0.000 3.347 -0.000) 3.347 20.034 ( -0.000 15.345 -0.000) 15.345 20.085 ( 0.000 8.210 -0.000) 8.210 20.514 ( 0.000 -0.454 -0.000) 0.454 20.597 ( 0.000 2.462 -0.000) 2.462 20.690 ( 0.000 -1.531 -0.000) 1.531 20.784 ( 0.000 -5.612 0.000) 5.612 20.937 ( 0.000 -0.227 0.000) 0.227 20.956 ( 0.000 0.024 -0.000) 0.024 21.424 ( 0.000 11.475 0.000) 11.475 21.554 ( 0.000 -0.028 -0.000) 0.028 21.689 ( -0.000 -2.565 -0.000) 2.565 21.695 ( 0.000 1.799 0.000) 1.799 21.793 ( -0.000 3.945 -0.000) 3.945 21.816 ( 0.000 -0.299 -0.000) 0.299 21.848 ( 0.000 1.422 0.000) 1.422 22.147 ( 0.000 -2.488 -0.000) 2.488 24.601 ( 0.000 0.750 0.000) 0.750 24.666 ( 0.000 -0.764 0.000) 0.764 24.782 ( 0.000 0.276 0.000) 0.276 24.880 ( 0.000 1.968 0.000) 1.968 24.895 ( -0.000 -2.896 -0.000) 2.896 24.964 ( 0.000 -0.506 -0.000) 0.506 25.034 ( 0.000 2.495 0.000) 2.495 25.135 ( 0.000 -0.732 -0.000) 0.732 28.822 ( 0.000 0.211 -0.000) 0.211 28.831 ( 0.000 0.088 0.000) 0.088 28.863 ( 0.000 0.399 0.000) 0.399 28.904 ( 0.000 -0.557 0.000) 0.557 29.100 ( 0.000 0.181 0.000) 0.181 29.121 ( 0.000 -0.374 -0.000) 0.374 29.195 ( 0.000 0.618 0.000) 0.618 29.236 ( 0.000 -0.434 0.000) 0.434 34.840 ( 0.000 1.826 0.000) 1.826 34.931 ( 0.000 0.954 0.000) 0.954 35.007 ( 0.000 -2.180 0.000) 2.180 35.047 ( 0.000 -1.418 0.000) 1.418 35.359 ( 0.000 7.334 0.000) 7.334 35.508 ( 0.000 5.875 0.000) 5.875 36.179 ( 0.000 -14.844 0.000) 14.844 36.398 ( 0.000 -20.072 -0.000) 20.072 38.004 ( 0.000 -0.112 0.000) 0.112 38.063 ( -0.000 1.572 -0.000) 1.572 38.069 ( 0.000 0.431 0.000) 0.431 38.257 ( 0.000 1.383 -0.000) 1.383 38.309 ( 0.000 -7.665 -0.000) 7.665 38.475 ( 0.000 -6.467 0.000) 6.467 38.640 ( 0.000 -2.552 -0.000) 2.552 38.929 ( 0.000 -10.031 0.000) 10.031 39.380 ( 0.000 -1.672 -0.000) 1.672 39.452 ( 0.000 0.081 -0.000) 0.081 39.468 ( 0.000 2.627 -0.000) 2.627 39.591 ( 0.000 -1.110 0.000) 1.110 39.691 ( 0.000 1.354 0.000) 1.354 39.720 ( -0.000 1.123 -0.000) 1.123 39.865 ( 0.000 5.723 -0.000) 5.723 39.933 ( 0.000 0.128 0.000) 0.128 40.789 ( 0.000 3.617 -0.000) 3.617 40.858 ( 0.000 0.428 -0.000) 0.428 41.226 ( 0.000 -7.005 -0.000) 7.005 41.228 ( -0.000 -4.098 0.000) 4.098 41.718 ( 0.000 14.054 -0.000) 14.054 41.753 ( 0.000 20.607 -0.000) 20.607 42.999 ( -0.000 -23.351 0.000) 23.351 43.189 ( 0.000 -24.647 -0.000) 24.647 ======================= Grid point 10 (7/57) ======================= q-point: ( 0.00 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 57 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.225 ( 0.000 32.195 0.000) 32.195 1.464 ( 0.000 38.619 0.000) 38.619 1.781 ( 0.000 -28.835 0.000) 28.835 2.128 ( 0.000 -33.600 0.000) 33.600 2.656 ( 0.000 65.468 0.000) 65.468 3.205 ( 0.000 10.056 0.000) 10.056 3.276 ( 0.000 6.402 0.000) 6.402 3.445 ( 0.000 9.390 0.000) 9.390 3.448 ( 0.000 -6.294 0.000) 6.294 3.556 ( 0.000 5.546 0.000) 5.546 3.643 ( 0.000 3.323 0.000) 3.323 3.820 ( 0.000 -31.022 0.000) 31.022 3.877 ( 0.000 2.408 0.000) 2.408 4.012 ( 0.000 -16.321 0.000) 16.321 4.208 ( 0.000 9.368 0.000) 9.368 4.211 ( 0.000 -2.526 0.000) 2.526 4.417 ( 0.000 -12.975 0.000) 12.975 4.476 ( 0.000 -15.174 0.000) 15.174 4.492 ( 0.000 7.011 0.000) 7.011 4.580 ( 0.000 0.867 0.000) 0.867 4.657 ( 0.000 -9.981 0.000) 9.981 4.724 ( 0.000 -6.867 0.000) 6.867 4.850 ( 0.000 -0.410 0.000) 0.410 4.893 ( 0.000 -3.713 0.000) 3.713 5.123 ( 0.000 2.555 0.000) 2.555 5.141 ( 0.000 -0.772 0.000) 0.772 5.245 ( 0.000 6.397 0.000) 6.397 5.310 ( 0.000 -1.584 0.000) 1.584 5.437 ( 0.000 -0.069 0.000) 0.069 5.440 ( 0.000 -3.136 0.000) 3.136 5.511 ( 0.000 2.749 0.000) 2.749 5.602 ( 0.000 -5.821 0.000) 5.821 5.678 ( 0.000 3.476 0.000) 3.476 5.733 ( 0.000 -3.540 0.000) 3.540 5.749 ( 0.000 5.131 0.000) 5.131 5.907 ( 0.000 -8.284 0.000) 8.284 6.019 ( 0.000 6.653 0.000) 6.653 6.022 ( 0.000 -1.092 0.000) 1.092 6.088 ( 0.000 -5.103 0.000) 5.103 6.113 ( 0.000 -4.714 0.000) 4.714 6.200 ( 0.000 2.796 0.000) 2.796 6.294 ( 0.000 -6.273 0.000) 6.273 6.421 ( 0.000 6.944 0.000) 6.944 6.493 ( 0.000 -1.644 0.000) 1.644 6.500 ( 0.000 2.248 0.000) 2.248 6.604 ( 0.000 -6.575 0.000) 6.575 6.722 ( 0.000 3.997 0.000) 3.997 6.773 ( 0.000 -1.577 0.000) 1.577 6.839 ( 0.000 0.412 0.000) 0.412 6.889 ( 0.000 -4.685 0.000) 4.685 6.893 ( 0.000 7.787 0.000) 7.787 7.014 ( 0.000 -5.145 0.000) 5.145 7.072 ( 0.000 3.457 0.000) 3.457 7.134 ( 0.000 -3.036 0.000) 3.036 7.316 ( 0.000 3.022 0.000) 3.022 7.329 ( 0.000 1.744 0.000) 1.744 7.441 ( 0.000 5.966 0.000) 5.966 7.445 ( 0.000 2.844 0.000) 2.844 7.592 ( 0.000 -1.167 0.000) 1.167 7.647 ( 0.000 -8.584 0.000) 8.584 7.834 ( 0.000 2.775 0.000) 2.775 7.920 ( 0.000 4.301 0.000) 4.301 7.943 ( 0.000 -1.874 0.000) 1.874 8.035 ( 0.000 -1.318 0.000) 1.318 8.117 ( 0.000 1.615 0.000) 1.615 8.218 ( 0.000 -5.847 0.000) 5.847 8.352 ( 0.000 14.502 0.000) 14.502 8.381 ( 0.000 3.841 0.000) 3.841 8.442 ( 0.000 -1.649 0.000) 1.649 8.515 ( 0.000 0.661 0.000) 0.661 8.594 ( 0.000 2.311 0.000) 2.311 8.666 ( 0.000 4.430 0.000) 4.430 8.681 ( 0.000 5.986 0.000) 5.986 8.860 ( 0.000 7.918 0.000) 7.918 8.897 ( 0.000 -9.785 0.000) 9.785 8.910 ( 0.000 -1.450 0.000) 1.450 8.926 ( 0.000 1.440 0.000) 1.440 8.945 ( 0.000 -2.475 0.000) 2.475 9.073 ( 0.000 1.565 0.000) 1.565 9.091 ( 0.000 -1.644 0.000) 1.644 9.095 ( 0.000 1.376 0.000) 1.376 9.172 ( 0.000 -3.438 0.000) 3.438 9.262 ( 0.000 2.039 0.000) 2.039 9.287 ( 0.000 -0.168 0.000) 0.168 9.473 ( 0.000 6.453 0.000) 6.453 9.536 ( 0.000 0.686 0.000) 0.686 9.560 ( 0.000 0.145 0.000) 0.145 9.696 ( 0.000 -14.614 0.000) 14.614 9.716 ( 0.000 0.889 0.000) 0.889 9.760 ( 0.000 -3.133 0.000) 3.133 9.971 ( 0.000 -0.486 0.000) 0.486 9.975 ( 0.000 0.059 0.000) 0.059 10.136 ( 0.000 3.950 0.000) 3.950 10.203 ( 0.000 3.919 0.000) 3.919 10.292 ( 0.000 0.718 0.000) 0.718 10.454 ( 0.000 -7.954 0.000) 7.954 10.595 ( 0.000 8.039 0.000) 8.039 10.796 ( 0.000 -11.491 0.000) 11.491 10.804 ( 0.000 4.873 0.000) 4.873 10.923 ( 0.000 -7.499 0.000) 7.499 11.002 ( 0.000 1.744 0.000) 1.744 11.019 ( 0.000 -1.512 0.000) 1.512 11.025 ( 0.000 9.363 0.000) 9.363 11.105 ( 0.000 -0.626 0.000) 0.626 11.107 ( 0.000 -0.569 0.000) 0.569 11.175 ( 0.000 -5.995 0.000) 5.995 11.312 ( 0.000 0.534 0.000) 0.534 11.328 ( 0.000 -0.929 0.000) 0.929 11.709 ( 0.000 1.810 0.000) 1.810 11.717 ( 0.000 0.989 0.000) 0.989 11.985 ( 0.000 1.954 0.000) 1.954 12.017 ( 0.000 -1.082 0.000) 1.082 12.166 ( 0.000 0.051 0.000) 0.051 12.194 ( 0.000 -3.356 0.000) 3.356 12.529 ( 0.000 4.006 0.000) 4.006 12.568 ( 0.000 0.545 0.000) 0.545 12.732 ( 0.000 -0.307 0.000) 0.307 12.736 ( 0.000 -1.352 0.000) 1.352 13.102 ( 0.000 3.051 0.000) 3.051 13.157 ( 0.000 -2.789 0.000) 2.789 13.565 ( 0.000 0.471 0.000) 0.471 13.573 ( 0.000 -0.521 0.000) 0.521 13.713 ( 0.000 1.788 0.000) 1.788 13.726 ( 0.000 0.038 0.000) 0.038 13.914 ( 0.000 0.571 0.000) 0.571 13.915 ( 0.000 0.319 0.000) 0.319 14.155 ( 0.000 4.419 0.000) 4.419 14.251 ( 0.000 -5.504 0.000) 5.504 14.302 ( 0.000 0.287 0.000) 0.287 14.310 ( 0.000 -0.463 0.000) 0.463 14.413 ( 0.000 1.740 0.000) 1.740 14.452 ( 0.000 -2.277 0.000) 2.277 14.524 ( 0.000 1.054 0.000) 1.054 14.542 ( 0.000 -0.868 0.000) 0.868 14.753 ( 0.000 0.995 0.000) 0.995 14.766 ( 0.000 -0.328 0.000) 0.328 17.750 ( 0.000 0.008 0.000) 0.008 17.752 ( 0.000 -0.299 0.000) 0.299 17.870 ( 0.000 0.224 0.000) 0.224 17.872 ( 0.000 -0.144 0.000) 0.144 18.004 ( 0.000 -0.089 0.000) 0.089 18.006 ( 0.000 -0.116 0.000) 0.116 18.165 ( 0.000 2.668 0.000) 2.668 18.218 ( 0.000 -2.924 0.000) 2.924 18.304 ( 0.000 1.231 0.000) 1.231 18.333 ( 0.000 -1.902 0.000) 1.902 18.532 ( 0.000 2.480 0.000) 2.480 18.583 ( 0.000 -3.197 0.000) 3.197 18.975 ( 0.000 2.894 0.000) 2.894 19.037 ( 0.000 -3.905 0.000) 3.905 19.337 ( 0.000 2.168 0.000) 2.168 19.362 ( 0.000 -0.501 0.000) 0.501 20.185 ( 0.000 9.754 0.000) 9.754 20.331 ( 0.000 -5.814 0.000) 5.814 20.522 ( 0.000 2.734 0.000) 2.734 20.607 ( 0.000 -6.585 0.000) 6.585 20.641 ( 0.000 2.556 0.000) 2.556 20.683 ( 0.000 -1.930 0.000) 1.930 20.950 ( 0.000 0.548 0.000) 0.548 20.957 ( 0.000 -0.128 0.000) 0.128 21.594 ( 0.000 2.117 0.000) 2.117 21.622 ( 0.000 -0.970 0.000) 0.970 21.686 ( 0.000 3.096 0.000) 3.096 21.744 ( 0.000 -2.920 0.000) 2.920 21.848 ( 0.000 1.173 0.000) 1.173 21.882 ( 0.000 -2.329 0.000) 2.329 22.265 ( 0.000 3.802 0.000) 3.802 22.331 ( 0.000 -3.227 0.000) 3.227 24.600 ( 0.000 1.449 0.000) 1.449 24.632 ( 0.000 -2.048 0.000) 2.048 24.827 ( 0.000 0.949 0.000) 0.949 24.828 ( 0.000 0.566 0.000) 0.566 24.937 ( 0.000 -0.800 0.000) 0.800 24.937 ( 0.000 -0.607 0.000) 0.607 25.083 ( 0.000 1.489 0.000) 1.489 25.105 ( 0.000 -0.989 0.000) 0.989 28.768 ( 0.000 1.372 0.000) 1.372 28.796 ( 0.000 -1.701 0.000) 1.701 28.890 ( 0.000 0.616 0.000) 0.616 28.899 ( 0.000 -0.460 0.000) 0.460 29.126 ( 0.000 0.180 0.000) 0.180 29.127 ( 0.000 0.029 0.000) 0.029 29.207 ( 0.000 0.812 0.000) 0.812 29.223 ( 0.000 -0.843 0.000) 0.843 34.796 ( 0.000 -0.073 0.000) 0.073 34.797 ( 0.000 -0.196 0.000) 0.196 34.884 ( 0.000 1.535 0.000) 1.535 34.910 ( 0.000 -1.271 0.000) 1.271 35.056 ( 0.000 3.836 0.000) 3.836 35.127 ( 0.000 -3.696 0.000) 3.696 36.031 ( 0.000 2.148 0.000) 2.148 36.077 ( 0.000 -2.719 0.000) 2.719 37.938 ( 0.000 0.538 0.000) 0.538 37.947 ( 0.000 -0.449 0.000) 0.449 38.132 ( 0.000 1.827 0.000) 1.827 38.163 ( 0.000 -1.492 0.000) 1.492 38.332 ( 0.000 4.238 0.000) 4.238 38.422 ( 0.000 -5.217 0.000) 5.217 38.662 ( 0.000 7.537 0.000) 7.537 38.823 ( 0.000 -9.828 0.000) 9.828 39.343 ( 0.000 5.913 0.000) 5.913 39.442 ( 0.000 4.624 0.000) 4.624 39.456 ( 0.000 -5.765 0.000) 5.765 39.533 ( 0.000 -5.298 0.000) 5.298 39.762 ( 0.000 4.765 0.000) 4.765 39.859 ( 0.000 -5.739 0.000) 5.739 40.211 ( 0.000 1.776 0.000) 1.776 40.226 ( 0.000 -0.059 0.000) 0.059 40.929 ( 0.000 2.725 0.000) 2.725 40.957 ( 0.000 0.314 0.000) 0.314 41.083 ( 0.000 -0.613 0.000) 0.613 41.109 ( 0.000 -2.810 0.000) 2.810 41.454 ( 0.000 3.942 0.000) 3.942 41.538 ( 0.000 -5.289 0.000) 5.289 42.481 ( 0.000 22.465 0.000) 22.465 42.883 ( 0.000 -20.819 0.000) 20.819 ======================= Grid point 11 (8/57) ======================= q-point: ( 0.25 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.623 ( 31.909 23.960 3.843) 40.087 1.997 ( 30.180 14.957 9.314) 34.947 2.103 ( 27.867 -8.239 9.001) 30.422 2.554 ( 30.784 -26.326 12.486) 42.387 2.973 ( 15.180 38.151 6.711) 41.605 3.089 ( -0.947 28.430 1.913) 28.510 3.118 ( -23.105 15.212 -0.789) 27.674 3.287 ( -18.052 -3.472 4.363) 18.893 3.362 ( 4.114 2.682 0.088) 4.912 3.519 ( 3.244 -2.310 2.603) 4.758 3.686 ( -1.273 -10.367 2.388) 10.715 3.820 ( -2.213 -13.657 3.470) 14.264 3.928 ( 9.362 -2.699 -2.451) 10.047 4.031 ( 3.244 -10.483 -1.744) 11.111 4.156 ( 2.539 3.676 -4.235) 6.156 4.285 ( -1.404 0.472 0.595) 1.597 4.374 ( 3.392 -3.725 -1.037) 5.143 4.438 ( 2.244 -2.691 1.480) 3.804 4.528 ( -5.277 -8.876 2.258) 10.571 4.589 ( -3.743 -11.666 2.883) 12.586 4.723 ( 8.027 6.874 3.737) 11.209 4.848 ( 3.467 1.779 -3.214) 5.051 4.910 ( 5.218 -3.415 -2.039) 6.561 4.927 ( 6.521 -13.500 3.569) 15.411 5.029 ( -4.840 7.688 -4.046) 9.945 5.155 ( -8.471 -4.545 -4.121) 10.459 5.195 ( -4.625 3.855 -1.375) 6.176 5.253 ( 3.341 -2.790 2.321) 4.933 5.383 ( -7.251 2.843 -7.635) 10.907 5.461 ( -3.431 -6.908 -4.836) 9.104 5.500 ( -6.717 4.214 -0.168) 7.931 5.578 ( 0.118 5.777 2.825) 6.432 5.625 ( -1.833 -6.761 -2.615) 7.478 5.736 ( 1.191 -0.677 -2.396) 2.760 5.792 ( 2.326 -0.793 5.157) 5.713 5.856 ( -6.962 -8.877 0.241) 11.284 5.910 ( -5.991 4.725 -2.990) 8.195 5.987 ( -1.204 -1.893 -0.658) 2.338 6.034 ( -1.366 5.652 -0.610) 5.846 6.168 ( 1.806 -7.602 0.150) 7.815 6.238 ( 0.792 2.727 -3.946) 4.862 6.328 ( 4.543 -5.008 -3.136) 7.453 6.358 ( -5.127 2.105 -1.808) 5.830 6.419 ( -5.679 1.079 -0.210) 5.785 6.438 ( -5.288 -0.652 -3.319) 6.277 6.512 ( -1.399 -5.880 -4.679) 7.644 6.629 ( -8.457 -0.507 -2.410) 8.809 6.671 ( -7.773 -3.894 0.267) 8.698 6.815 ( 3.500 1.976 -1.351) 4.240 6.831 ( 0.756 -0.396 -0.943) 1.272 6.888 ( -2.856 2.409 1.263) 3.944 6.968 ( -0.564 -4.528 1.548) 4.818 7.105 ( -1.985 1.643 -4.736) 5.391 7.160 ( -2.971 -2.792 -6.958) 8.065 7.274 ( -0.101 3.438 0.782) 3.527 7.306 ( -0.671 -0.461 0.589) 1.004 7.451 ( 3.014 6.760 1.813) 7.620 7.514 ( -2.145 4.563 3.754) 6.286 7.582 ( -0.585 -5.713 -0.802) 5.798 7.620 ( -4.548 -5.411 -2.214) 7.407 7.762 ( -4.158 -0.247 -0.543) 4.201 7.796 ( -7.564 -0.996 -2.744) 8.107 7.918 ( -5.760 0.725 0.216) 5.810 7.939 ( -6.632 -2.159 2.214) 7.318 8.070 ( 0.196 4.320 3.328) 5.457 8.129 ( 4.484 -0.091 1.111) 4.621 8.325 ( -2.424 8.272 -2.820) 9.069 8.393 ( -4.415 2.513 -3.361) 6.091 8.457 ( 2.454 5.696 0.232) 6.206 8.540 ( 1.534 -2.132 0.445) 2.664 8.578 ( -0.124 6.102 3.586) 7.079 8.692 ( 0.496 -1.684 2.479) 3.038 8.778 ( 5.977 9.498 2.469) 11.491 8.803 ( -2.291 7.260 -4.080) 8.637 8.896 ( 0.037 -1.549 -1.057) 1.876 8.900 ( 1.067 -0.807 -5.199) 5.369 8.943 ( -2.137 -2.136 -0.061) 3.021 9.018 ( 2.527 -3.026 2.112) 4.473 9.115 ( 3.567 -0.219 0.182) 3.579 9.129 ( 4.532 2.889 2.330) 5.858 9.162 ( 4.366 -0.787 0.886) 4.524 9.202 ( 2.726 -2.501 -1.753) 4.094 9.288 ( 1.214 1.477 0.145) 1.917 9.312 ( 2.020 -1.036 2.815) 3.617 9.409 ( -4.668 3.393 4.338) 7.220 9.521 ( -5.410 -3.729 3.406) 7.401 9.598 ( 1.060 0.091 -2.719) 2.920 9.638 ( -0.645 -4.970 -1.970) 5.385 9.732 ( 0.962 6.282 3.625) 7.316 9.839 ( 5.285 -3.739 4.073) 7.649 9.968 ( -0.187 0.733 -0.357) 0.837 9.988 ( -0.154 -2.520 3.237) 4.105 10.127 ( -0.827 3.812 1.308) 4.114 10.173 ( -1.801 4.689 -2.489) 5.606 10.274 ( 0.010 -3.280 -2.994) 4.441 10.371 ( -5.019 -7.481 -4.316) 9.989 10.586 ( -1.521 9.213 -1.282) 9.426 10.685 ( -8.069 5.282 4.279) 10.551 10.751 ( -2.768 1.173 -1.967) 3.592 10.869 ( 0.719 -7.374 1.369) 7.535 10.897 ( -2.507 -1.722 1.226) 3.279 10.960 ( -4.129 -4.523 -0.861) 6.185 11.054 ( -1.509 1.564 -1.855) 2.858 11.088 ( 0.613 -2.457 -2.144) 3.318 11.259 ( 12.084 2.186 5.319) 13.382 11.312 ( 8.964 -2.564 2.565) 9.670 11.474 ( 9.534 3.084 0.647) 10.041 11.559 ( 7.055 -6.398 4.961) 10.739 11.727 ( 2.520 2.644 -2.205) 4.267 11.758 ( 5.496 -0.962 -2.507) 6.117 12.014 ( 2.504 2.289 1.113) 3.571 12.048 ( 2.622 -1.069 0.957) 2.989 12.146 ( -2.554 0.908 4.239) 5.032 12.186 ( -1.410 -3.726 2.839) 4.892 12.498 ( -3.174 3.900 -1.474) 5.240 12.568 ( -2.998 -3.844 -6.818) 8.382 12.734 ( 4.419 4.537 2.909) 6.970 12.798 ( 5.305 -2.490 0.244) 5.865 13.085 ( -3.116 1.286 0.937) 3.499 13.108 ( -5.169 -0.934 -1.260) 5.402 13.556 ( -0.958 1.152 -0.722) 1.663 13.577 ( 0.172 -1.103 -0.205) 1.135 13.824 ( 8.447 1.551 1.923) 8.801 13.837 ( 8.021 0.131 3.083) 8.594 13.927 ( 2.732 0.685 2.750) 3.936 13.940 ( 2.314 -0.398 3.372) 4.109 14.144 ( -1.321 2.905 -0.015) 3.191 14.208 ( -3.583 -3.341 -2.048) 5.310 14.264 ( -1.727 0.292 -2.809) 3.310 14.284 ( -1.820 -1.995 -3.533) 4.446 14.367 ( -3.910 1.522 -5.145) 6.639 14.388 ( -5.535 -0.617 -5.523) 7.844 14.495 ( -0.706 -0.173 -1.238) 1.436 14.507 ( -1.603 -1.190 -1.954) 2.793 14.728 ( -1.843 0.702 -0.510) 2.037 14.731 ( -2.109 0.386 -1.255) 2.484 17.791 ( 1.635 1.220 4.264) 4.727 17.823 ( 3.022 -2.333 4.767) 6.108 17.882 ( 1.156 0.303 -0.138) 1.203 17.895 ( 1.866 -0.929 0.152) 2.090 18.027 ( 2.281 0.769 2.559) 3.514 18.041 ( 2.971 -1.003 3.973) 5.062 18.172 ( 0.486 1.552 -0.174) 1.636 18.213 ( -0.682 -2.664 -1.026) 2.935 18.280 ( -1.623 1.704 -0.702) 2.456 18.320 ( -1.000 -2.745 -0.031) 2.922 18.496 ( -2.257 2.118 -2.486) 3.970 18.544 ( -2.807 -3.253 -2.855) 5.159 18.986 ( 0.762 2.828 0.193) 2.935 19.046 ( 0.651 -3.802 0.037) 3.858 19.337 ( -0.007 2.131 -0.042) 2.131 19.360 ( -0.167 -0.233 -0.097) 0.303 20.192 ( 0.877 8.518 -0.618) 8.585 20.290 ( -3.176 -1.614 -0.486) 3.595 20.537 ( 0.691 3.524 2.104) 4.163 20.628 ( 1.440 -5.680 0.347) 5.870 20.641 ( -0.034 2.510 0.002) 2.510 20.687 ( 0.221 -2.606 0.749) 2.721 20.941 ( -0.572 0.625 0.040) 0.848 20.953 ( -0.396 -0.510 -0.039) 0.647 21.607 ( -1.610 1.867 -2.810) 3.738 21.622 ( 1.833 1.202 0.607) 2.275 21.663 ( -4.576 0.536 1.304) 4.788 21.683 ( -1.509 -1.655 0.964) 2.439 21.849 ( -0.908 1.727 2.504) 3.175 21.881 ( -1.477 -1.580 1.548) 2.660 22.061 ( -13.277 8.532 -9.107) 18.222 22.151 ( -6.840 -2.283 -4.135) 8.312 24.611 ( 0.870 1.426 -0.508) 1.746 24.641 ( 0.598 -1.776 -0.541) 1.950 24.809 ( -0.802 1.642 0.105) 1.830 24.839 ( 0.256 -1.363 0.511) 1.478 24.924 ( -0.539 0.927 -0.128) 1.080 24.945 ( 0.286 -1.220 -0.367) 1.305 25.081 ( -0.075 1.869 -0.421) 1.917 25.110 ( 0.373 -1.283 -0.069) 1.338 28.795 ( 2.010 1.172 0.475) 2.375 28.818 ( 1.327 -1.343 0.305) 1.913 28.883 ( -0.517 0.692 -0.211) 0.889 28.895 ( -0.281 -0.632 -0.224) 0.727 29.115 ( -0.757 0.276 -0.200) 0.830 29.120 ( -0.569 -0.278 -0.016) 0.634 29.208 ( 0.057 0.840 0.078) 0.846 29.223 ( 0.052 -0.795 0.072) 0.800 34.840 ( 2.440 1.733 1.023) 3.162 34.869 ( 3.447 -1.355 2.290) 4.354 35.023 ( -2.670 3.276 -0.337) 4.240 35.086 ( -3.307 -3.276 -0.890) 4.739 35.160 ( 17.906 7.173 18.429) 26.678 35.388 ( 26.712 -19.754 41.036) 52.799 35.913 ( -7.204 8.665 -11.369) 16.007 36.091 ( 2.088 -10.309 -18.329) 21.133 37.975 ( 3.238 0.928 -1.968) 3.901 38.000 ( 5.307 -1.552 -2.794) 6.195 38.130 ( -1.571 0.654 2.267) 2.835 38.150 ( -0.723 -2.070 0.827) 2.344 38.313 ( -1.420 3.554 -0.243) 3.835 38.393 ( -2.067 -4.989 -1.158) 5.523 38.661 ( 0.188 5.829 -0.712) 5.875 38.795 ( -2.247 -8.855 -0.216) 9.138 39.362 ( 1.797 4.531 -0.415) 4.892 39.448 ( -0.417 -4.484 -1.683) 4.808 39.471 ( 2.975 4.210 -1.069) 5.265 39.548 ( 1.348 -4.102 -0.313) 4.330 39.746 ( -1.396 2.956 -0.626) 3.328 39.799 ( -4.811 -2.610 -0.219) 5.478 40.038 ( -12.269 2.860 5.323) 13.676 40.071 ( -12.002 -0.810 5.881) 13.390 40.835 ( -1.542 3.064 0.287) 3.442 40.866 ( -0.843 -0.639 -0.622) 1.227 41.120 ( 1.740 2.773 0.946) 3.407 41.197 ( -0.687 -5.298 1.283) 5.494 41.691 ( 22.128 16.299 -7.133) 28.393 42.026 ( 29.529 -18.980 -12.321) 37.202 42.435 ( -3.141 17.785 2.010) 18.172 42.833 ( -6.302 -22.530 5.793) 24.101 ======================= Grid point 12 (9/57) ======================= q-point: (-0.50 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.300 ( -0.000 14.119 -0.000) 14.119 2.438 ( 0.000 15.615 -0.000) 15.615 2.539 ( 0.000 1.093 -0.000) 1.093 2.589 ( 0.000 34.811 0.000) 34.811 2.740 ( -0.000 17.921 0.000) 17.921 2.765 ( 0.000 -16.872 -0.000) 16.872 3.196 ( -0.000 -27.816 -0.000) 27.816 3.221 ( 0.000 -20.808 0.000) 20.808 3.662 ( -0.000 7.883 -0.000) 7.883 3.664 ( 0.000 8.194 0.000) 8.194 3.792 ( 0.000 -4.930 -0.000) 4.930 3.796 ( -0.000 -4.807 0.000) 4.807 4.049 ( 0.000 9.780 0.000) 9.780 4.121 ( -0.000 6.155 0.000) 6.155 4.224 ( 0.000 10.088 -0.000) 10.088 4.263 ( 0.000 2.751 0.000) 2.751 4.404 ( 0.000 -0.882 -0.000) 0.882 4.427 ( 0.000 -5.605 0.000) 5.605 4.540 ( -0.000 4.602 -0.000) 4.602 4.552 ( 0.000 8.359 0.000) 8.359 4.803 ( -0.000 -16.333 0.000) 16.333 4.816 ( 0.000 -8.825 -0.000) 8.825 4.885 ( 0.000 5.875 0.000) 5.875 4.885 ( -0.000 4.817 -0.000) 4.817 4.909 ( 0.000 6.525 0.000) 6.525 5.024 ( 0.000 -8.986 -0.000) 8.986 5.087 ( 0.000 -6.607 0.000) 6.607 5.162 ( -0.000 -7.845 -0.000) 7.845 5.373 ( 0.000 -2.656 0.000) 2.656 5.436 ( 0.000 -7.270 0.000) 7.270 5.498 ( -0.000 -8.534 0.000) 8.534 5.500 ( 0.000 -5.939 -0.000) 5.939 5.593 ( 0.000 5.411 -0.000) 5.411 5.699 ( -0.000 -0.667 0.000) 0.667 5.814 ( -0.000 0.626 -0.000) 0.626 5.814 ( 0.000 3.504 0.000) 3.504 5.909 ( 0.000 1.216 0.000) 1.216 5.959 ( 0.000 3.455 -0.000) 3.455 6.080 ( -0.000 -7.533 -0.000) 7.533 6.139 ( 0.000 -9.871 -0.000) 9.871 6.241 ( 0.000 -2.930 -0.000) 2.930 6.245 ( -0.000 -3.347 0.000) 3.347 6.297 ( 0.000 1.955 0.000) 1.955 6.317 ( -0.000 -0.371 0.000) 0.371 6.453 ( 0.000 0.841 0.000) 0.841 6.510 ( 0.000 -4.315 0.000) 4.315 6.564 ( 0.000 2.854 -0.000) 2.854 6.627 ( 0.000 -3.199 -0.000) 3.199 6.792 ( 0.000 4.087 0.000) 4.087 6.839 ( 0.000 -0.157 -0.000) 0.157 6.889 ( 0.000 -0.167 0.000) 0.167 6.974 ( 0.000 -7.151 0.000) 7.151 7.049 ( 0.000 -3.057 0.000) 3.057 7.058 ( 0.000 -1.185 0.000) 1.185 7.279 ( -0.000 1.734 -0.000) 1.734 7.291 ( 0.000 -0.020 0.000) 0.020 7.470 ( 0.000 4.977 -0.000) 4.977 7.514 ( 0.000 -0.789 -0.000) 0.789 7.533 ( 0.000 3.137 0.000) 3.137 7.561 ( -0.000 4.161 -0.000) 4.161 7.713 ( 0.000 -4.241 0.000) 4.241 7.744 ( 0.000 -4.354 0.000) 4.354 7.852 ( 0.000 -0.044 0.000) 0.044 7.875 ( 0.000 -2.576 -0.000) 2.576 8.163 ( -0.000 8.957 0.000) 8.957 8.174 ( 0.000 4.604 0.000) 4.604 8.269 ( 0.000 -0.515 0.000) 0.515 8.277 ( -0.000 3.340 -0.000) 3.340 8.505 ( 0.000 4.383 0.000) 4.383 8.557 ( 0.000 -1.699 0.000) 1.699 8.643 ( 0.000 7.161 -0.000) 7.161 8.650 ( 0.000 8.725 0.000) 8.725 8.790 ( 0.000 -1.787 0.000) 1.787 8.833 ( 0.000 -6.749 0.000) 6.749 8.874 ( 0.000 10.002 -0.000) 10.002 8.906 ( 0.000 -0.032 0.000) 0.032 8.940 ( 0.000 1.198 -0.000) 1.198 9.029 ( 0.000 3.288 0.000) 3.288 9.177 ( 0.000 -0.401 -0.000) 0.401 9.187 ( 0.000 3.570 0.000) 3.570 9.219 ( 0.000 -2.823 0.000) 2.823 9.242 ( -0.000 -1.247 -0.000) 1.247 9.304 ( 0.000 1.509 -0.000) 1.509 9.346 ( 0.000 0.556 -0.000) 0.556 9.379 ( 0.000 -1.995 0.000) 1.995 9.404 ( 0.000 -4.999 0.000) 4.999 9.603 ( 0.000 -0.181 0.000) 0.181 9.625 ( 0.000 -2.310 0.000) 2.310 9.768 ( 0.000 11.582 0.000) 11.582 9.943 ( -0.000 -7.004 0.000) 7.004 9.967 ( 0.000 -0.462 -0.000) 0.462 9.968 ( -0.000 -0.841 0.000) 0.841 10.120 ( 0.000 4.212 0.000) 4.212 10.143 ( 0.000 2.333 -0.000) 2.333 10.279 ( 0.000 -3.132 -0.000) 3.132 10.285 ( -0.000 -4.600 0.000) 4.600 10.550 ( 0.000 9.338 -0.000) 9.338 10.630 ( 0.000 3.854 0.000) 3.854 10.732 ( 0.000 1.222 -0.000) 1.222 10.866 ( 0.000 0.589 -0.000) 0.589 10.882 ( 0.000 -11.453 -0.000) 11.453 10.914 ( 0.000 -4.667 0.000) 4.667 11.033 ( 0.000 1.580 0.000) 1.580 11.091 ( 0.000 -4.910 -0.000) 4.910 11.409 ( 0.000 2.732 0.000) 2.732 11.425 ( 0.000 1.587 0.000) 1.587 11.602 ( 0.000 -4.054 -0.000) 4.054 11.604 ( -0.000 -3.008 0.000) 3.008 11.771 ( 0.000 5.193 0.000) 5.193 11.846 ( 0.000 -3.347 0.000) 3.347 12.078 ( 0.000 1.362 -0.000) 1.362 12.088 ( -0.000 1.605 0.000) 1.605 12.117 ( 0.000 1.092 -0.000) 1.092 12.173 ( 0.000 -3.971 0.000) 3.971 12.426 ( 0.000 2.456 0.000) 2.456 12.476 ( 0.000 -2.988 -0.000) 2.988 12.868 ( 0.000 3.319 0.000) 3.319 12.894 ( -0.000 0.850 -0.000) 0.850 12.962 ( -0.000 3.336 -0.000) 3.336 13.029 ( 0.000 -3.331 -0.000) 3.331 13.545 ( 0.000 1.215 -0.000) 1.215 13.576 ( -0.000 -1.964 -0.000) 1.964 13.902 ( 0.000 3.229 0.000) 3.229 13.935 ( 0.000 -0.390 0.000) 0.390 14.048 ( 0.000 1.972 0.000) 1.972 14.082 ( 0.000 -1.204 0.000) 1.204 14.103 ( -0.000 0.073 -0.000) 0.073 14.119 ( 0.000 -2.383 0.000) 2.383 14.213 ( 0.000 0.223 -0.000) 0.223 14.228 ( 0.000 -1.461 0.000) 1.461 14.276 ( 0.000 1.006 0.000) 1.006 14.299 ( 0.000 -1.539 0.000) 1.539 14.488 ( 0.000 -0.211 0.000) 0.211 14.490 ( 0.000 -0.648 0.000) 0.648 14.702 ( 0.000 0.434 -0.000) 0.434 14.703 ( 0.000 0.349 0.000) 0.349 17.817 ( 0.000 2.094 -0.000) 2.094 17.858 ( 0.000 -2.295 0.000) 2.295 17.899 ( 0.000 0.477 0.000) 0.477 17.914 ( 0.000 -0.933 0.000) 0.933 18.098 ( -0.000 0.827 -0.000) 0.827 18.112 ( 0.000 -1.236 0.000) 1.236 18.170 ( 0.000 -0.724 0.000) 0.724 18.173 ( 0.000 -1.632 -0.000) 1.632 18.268 ( -0.000 1.276 -0.000) 1.276 18.300 ( 0.000 -2.033 0.000) 2.033 18.474 ( 0.000 -1.166 0.000) 1.166 18.481 ( -0.000 -1.535 -0.000) 1.535 18.996 ( 0.000 2.737 0.000) 2.737 19.055 ( 0.000 -3.671 0.000) 3.671 19.337 ( 0.000 2.085 0.000) 2.085 19.357 ( 0.000 0.031 -0.000) 0.031 20.216 ( -0.000 5.072 0.000) 5.072 20.234 ( 0.000 4.445 -0.000) 4.445 20.551 ( -0.000 4.950 -0.000) 4.950 20.641 ( 0.000 2.425 0.000) 2.425 20.645 ( 0.000 -3.887 -0.000) 3.887 20.694 ( 0.000 -4.015 0.000) 4.015 20.936 ( 0.000 0.197 0.000) 0.197 20.946 ( 0.000 -0.799 0.000) 0.799 21.566 ( 0.000 1.262 -0.000) 1.262 21.574 ( 0.000 2.737 0.000) 2.737 21.662 ( 0.000 0.983 -0.000) 0.983 21.700 ( 0.000 -1.503 0.000) 1.503 21.825 ( 0.000 1.261 0.000) 1.261 21.841 ( 0.000 0.041 -0.000) 0.041 21.931 ( 0.000 8.234 0.000) 8.234 22.071 ( 0.000 -6.145 -0.000) 6.145 24.620 ( 0.000 1.310 0.000) 1.310 24.646 ( 0.000 -1.393 0.000) 1.393 24.801 ( 0.000 1.767 0.000) 1.767 24.843 ( 0.000 -2.725 0.000) 2.725 24.918 ( 0.000 1.948 -0.000) 1.948 24.947 ( 0.000 -1.300 -0.000) 1.300 25.079 ( 0.000 2.285 0.000) 2.285 25.114 ( 0.000 -1.557 -0.000) 1.557 28.827 ( 0.000 0.279 0.000) 0.279 28.831 ( -0.000 -0.113 -0.000) 0.113 28.874 ( 0.000 0.801 0.000) 0.801 28.890 ( 0.000 -0.898 0.000) 0.898 29.105 ( 0.000 0.369 0.000) 0.369 29.113 ( 0.000 -0.468 -0.000) 0.468 29.209 ( 0.000 0.878 0.000) 0.878 29.224 ( 0.000 -0.773 0.000) 0.773 34.884 ( -0.000 2.853 0.000) 2.853 34.932 ( 0.000 -1.830 0.000) 1.830 34.984 ( 0.000 0.744 0.000) 0.744 35.015 ( 0.000 -2.001 0.000) 2.001 35.549 ( -0.000 13.690 -0.000) 13.690 35.676 ( 0.000 12.654 0.000) 12.654 35.856 ( 0.000 -18.212 0.000) 18.212 35.997 ( 0.000 -21.186 0.000) 21.186 38.025 ( 0.000 2.651 0.000) 2.651 38.072 ( 0.000 -0.695 0.000) 0.695 38.089 ( 0.000 1.239 0.000) 1.239 38.148 ( 0.000 -7.361 -0.000) 7.361 38.294 ( 0.000 2.794 0.000) 2.794 38.362 ( 0.000 -4.828 0.000) 4.828 38.664 ( 0.000 3.627 -0.000) 3.627 38.762 ( 0.000 -7.369 0.000) 7.369 39.392 ( 0.000 2.055 -0.000) 2.055 39.431 ( 0.000 -1.868 0.000) 1.868 39.522 ( 0.000 2.778 -0.000) 2.778 39.564 ( 0.000 -1.869 0.000) 1.869 39.716 ( 0.000 1.200 0.000) 1.200 39.729 ( -0.000 -0.180 -0.000) 0.180 39.926 ( 0.000 1.420 -0.000) 1.420 39.935 ( -0.000 0.062 -0.000) 0.062 40.844 ( 0.000 2.039 0.000) 2.039 40.862 ( 0.000 -0.144 -0.000) 0.144 41.152 ( 0.000 -1.483 -0.000) 1.483 41.164 ( -0.000 -2.490 0.000) 2.490 42.036 ( -0.000 19.682 0.000) 19.682 42.138 ( 0.000 18.867 -0.000) 18.867 42.556 ( -0.000 -20.286 0.000) 20.286 42.701 ( 0.000 -26.050 -0.000) 26.050 ======================= Grid point 25 (10/57) ======================= q-point: ( 0.00 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 57 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.719 ( 1.049 0.000 34.223) 34.239 1.000 ( -9.193 0.000 47.580) 48.460 1.598 ( 24.425 0.000 74.054) 77.978 2.861 ( -12.449 0.000 12.270) 17.479 2.922 ( -3.808 0.000 14.212) 14.713 2.973 ( 2.792 0.000 24.761) 24.918 3.046 ( 10.047 0.000 15.443) 18.424 3.324 ( -0.770 0.000 11.642) 11.667 3.456 ( 3.398 0.000 -1.710) 3.804 3.625 ( 10.406 0.000 6.472) 12.255 3.713 ( -1.735 0.000 7.722) 7.915 3.832 ( -10.246 0.000 2.115) 10.462 4.012 ( 1.579 0.000 -5.528) 5.749 4.034 ( 4.956 0.000 -2.872) 5.728 4.197 ( 4.205 0.000 -2.665) 4.979 4.323 ( -3.738 0.000 1.474) 4.018 4.509 ( 2.340 0.000 3.903) 4.550 4.535 ( -2.315 0.000 5.341) 5.821 4.794 ( -2.233 0.000 -0.267) 2.248 4.795 ( 2.095 0.000 3.522) 4.098 4.816 ( -9.646 0.000 8.263) 12.701 4.866 ( -4.422 0.000 7.396) 8.617 5.006 ( -3.909 0.000 -1.467) 4.175 5.118 ( 0.720 0.000 -3.627) 3.697 5.179 ( -4.996 0.000 -3.606) 6.161 5.249 ( 11.501 0.000 1.053) 11.549 5.283 ( -2.134 0.000 -2.259) 3.107 5.411 ( 1.791 0.000 -1.320) 2.225 5.463 ( -10.943 0.000 8.471) 13.838 5.500 ( -2.285 0.000 3.627) 4.287 5.562 ( 0.261 0.000 6.114) 6.119 5.656 ( 0.724 0.000 0.241) 0.763 5.698 ( -2.561 0.000 2.761) 3.766 5.782 ( -3.885 0.000 -2.432) 4.584 5.898 ( -8.324 0.000 -8.483) 11.885 5.971 ( 0.830 0.000 8.743) 8.783 6.054 ( 9.816 0.000 -3.737) 10.503 6.068 ( -6.885 0.000 -6.039) 9.158 6.159 ( 2.898 0.000 -3.335) 4.418 6.209 ( -0.507 0.000 1.097) 1.208 6.362 ( 5.563 0.000 -0.512) 5.587 6.389 ( -16.271 0.000 0.364) 16.275 6.476 ( 1.070 0.000 -2.451) 2.674 6.514 ( -4.666 0.000 -0.753) 4.727 6.563 ( -7.333 0.000 -6.128) 9.557 6.564 ( 3.287 0.000 3.903) 5.103 6.598 ( -4.420 0.000 1.130) 4.562 6.758 ( -4.628 0.000 -3.851) 6.020 6.809 ( -4.401 0.000 -4.030) 5.967 6.912 ( 6.697 0.000 4.504) 8.071 6.950 ( -1.888 0.000 0.116) 1.892 6.986 ( -3.219 0.000 -1.825) 3.701 7.037 ( -7.680 0.000 -5.538) 9.468 7.168 ( 1.938 0.000 3.835) 4.297 7.176 ( -0.538 0.000 -2.388) 2.448 7.256 ( 7.849 0.000 10.017) 12.726 7.452 ( 3.191 0.000 10.033) 10.528 7.543 ( 2.932 0.000 -2.409) 3.795 7.634 ( -4.558 0.000 -3.129) 5.529 7.704 ( -1.309 0.000 1.196) 1.773 7.861 ( 4.850 0.000 -5.449) 7.295 7.905 ( -4.087 0.000 2.330) 4.704 7.930 ( -9.215 0.000 -1.396) 9.320 7.949 ( 2.743 0.000 5.040) 5.738 8.072 ( 5.178 0.000 3.514) 6.258 8.107 ( 1.880 0.000 -4.153) 4.559 8.159 ( 3.640 0.000 1.819) 4.069 8.324 ( -0.225 0.000 0.807) 0.838 8.380 ( -1.178 0.000 0.788) 1.417 8.416 ( 3.606 0.000 -3.536) 5.050 8.512 ( -6.315 0.000 -2.936) 6.964 8.569 ( -7.354 0.000 1.351) 7.477 8.690 ( -2.816 0.000 -4.148) 5.013 8.734 ( -2.898 0.000 -3.591) 4.614 8.825 ( 1.010 0.000 0.952) 1.388 8.830 ( -0.151 0.000 -2.747) 2.751 8.917 ( -6.476 0.000 0.702) 6.514 8.926 ( 5.162 0.000 -3.159) 6.052 9.097 ( 2.705 0.000 3.360) 4.314 9.107 ( 3.593 0.000 -0.020) 3.593 9.186 ( -0.495 0.000 0.059) 0.499 9.231 ( 2.550 0.000 7.235) 7.671 9.262 ( -2.206 0.000 3.530) 4.163 9.291 ( 0.975 0.000 2.289) 2.489 9.404 ( -1.666 0.000 -2.276) 2.821 9.510 ( 6.739 0.000 -2.849) 7.317 9.552 ( 1.951 0.000 5.519) 5.854 9.567 ( -2.204 0.000 4.778) 5.262 9.880 ( -2.124 0.000 -2.432) 3.229 9.901 ( -1.068 0.000 7.838) 7.910 9.989 ( 1.385 0.000 1.193) 1.828 10.027 ( 5.966 0.000 -3.460) 6.896 10.052 ( 2.436 0.000 4.679) 5.275 10.118 ( 3.864 0.000 -4.253) 5.746 10.331 ( -7.380 0.000 0.274) 7.385 10.432 ( -3.425 0.000 -11.256) 11.765 10.480 ( -4.424 0.000 2.049) 4.876 10.643 ( -16.971 0.000 -0.473) 16.978 10.745 ( -3.325 0.000 7.936) 8.605 10.833 ( 4.162 0.000 -0.056) 4.162 10.948 ( 0.573 0.000 -4.352) 4.390 10.965 ( 1.055 0.000 -4.365) 4.491 11.085 ( 3.241 0.000 -4.267) 5.358 11.108 ( 32.223 0.000 0.632) 32.229 11.178 ( 7.400 0.000 1.846) 7.627 11.197 ( -2.242 0.000 0.733) 2.359 11.367 ( 1.042 0.000 7.337) 7.411 11.514 ( -2.433 0.000 11.967) 12.212 11.701 ( -1.471 0.000 5.105) 5.313 11.835 ( 2.337 0.000 -6.043) 6.479 11.839 ( 2.746 0.000 3.792) 4.682 11.910 ( 1.054 0.000 -4.887) 4.999 12.024 ( 0.062 0.000 -0.429) 0.434 12.347 ( -1.448 0.000 -3.305) 3.608 12.446 ( 4.670 0.000 5.816) 7.459 12.490 ( 5.660 0.000 -3.729) 6.778 12.756 ( -2.149 0.000 0.968) 2.357 12.991 ( -1.256 0.000 -4.391) 4.567 13.051 ( 4.559 0.000 -0.477) 4.583 13.107 ( -26.751 0.000 -6.273) 27.476 13.538 ( -0.721 0.000 -1.696) 1.842 13.589 ( 3.962 0.000 0.846) 4.052 13.643 ( -2.286 0.000 0.863) 2.443 13.705 ( 1.132 0.000 -1.205) 1.654 13.870 ( 4.382 0.000 -0.540) 4.415 13.939 ( -1.180 0.000 -1.457) 1.875 14.109 ( 1.999 0.000 2.001) 2.829 14.202 ( 0.297 0.000 -8.888) 8.893 14.306 ( -4.560 0.000 -6.600) 8.022 14.350 ( -3.932 0.000 -1.898) 4.366 14.375 ( 2.546 0.000 2.079) 3.287 14.398 ( -4.172 0.000 -4.302) 5.993 14.548 ( -2.169 0.000 -0.546) 2.236 14.549 ( -2.540 0.000 3.493) 4.319 14.746 ( -1.888 0.000 4.120) 4.532 14.872 ( -2.330 0.000 6.265) 6.685 17.831 ( 2.751 0.000 4.718) 5.461 17.864 ( 2.632 0.000 2.239) 3.456 17.889 ( 2.039 0.000 3.485) 4.038 17.944 ( 1.227 0.000 4.359) 4.529 17.999 ( -0.330 0.000 0.184) 0.378 18.140 ( 1.743 0.000 2.178) 2.789 18.255 ( 3.019 0.000 -2.276) 3.781 18.264 ( -2.039 0.000 -1.520) 2.543 18.295 ( 19.290 0.000 0.872) 19.309 18.390 ( -3.814 0.000 -0.873) 3.912 18.443 ( -2.147 0.000 -2.409) 3.227 18.586 ( -1.549 0.000 -8.712) 8.849 18.929 ( 0.812 0.000 0.992) 1.282 19.218 ( 0.404 0.000 -1.952) 1.993 19.250 ( -3.895 0.000 -0.385) 3.914 19.264 ( 0.162 0.000 -0.459) 0.486 19.867 ( -0.444 0.000 1.666) 1.724 20.002 ( -0.155 0.000 0.441) 0.467 20.402 ( 2.239 0.000 -3.385) 4.059 20.567 ( -0.172 0.000 0.429) 0.463 20.704 ( -0.275 0.000 -2.634) 2.649 20.745 ( 2.441 0.000 -4.212) 4.868 20.922 ( 0.494 0.000 -1.271) 1.364 20.939 ( 0.016 0.000 -0.020) 0.026 21.313 ( -0.565 0.000 1.380) 1.492 21.543 ( 1.853 0.000 1.500) 2.384 21.642 ( 1.387 0.000 0.421) 1.449 21.756 ( 0.933 0.000 -3.217) 3.349 21.851 ( -1.757 0.000 -2.680) 3.205 21.912 ( -0.951 0.000 0.540) 1.094 21.948 ( -14.231 0.000 -3.933) 14.764 22.099 ( 1.503 0.000 -6.468) 6.640 24.602 ( -0.874 0.000 2.576) 2.720 24.761 ( -1.873 0.000 2.757) 3.333 24.778 ( -0.006 0.000 0.652) 0.652 24.833 ( 1.381 0.000 2.238) 2.630 24.937 ( 0.213 0.000 -0.131) 0.250 25.028 ( -0.524 0.000 0.098) 0.533 25.054 ( -5.665 0.000 -0.301) 5.673 25.126 ( 0.247 0.000 0.346) 0.425 28.748 ( 0.543 0.000 0.628) 0.830 28.849 ( 0.809 0.000 -0.468) 0.934 28.857 ( 0.029 0.000 -0.679) 0.680 28.896 ( 0.187 0.000 -0.886) 0.905 29.109 ( -0.335 0.000 -0.705) 0.780 29.125 ( 0.408 0.000 -0.212) 0.460 29.179 ( 0.233 0.000 -1.167) 1.190 29.224 ( 0.284 0.000 -1.395) 1.423 34.813 ( -0.892 0.000 2.072) 2.256 34.927 ( 3.707 0.000 8.591) 9.357 34.942 ( 0.589 0.000 -0.739) 0.945 34.986 ( 4.755 0.000 4.325) 6.428 35.247 ( -5.287 0.000 3.394) 6.283 35.809 ( 2.729 0.000 -12.382) 12.679 36.143 ( 6.395 0.000 -1.149) 6.498 36.421 ( 106.299 0.000 -1.993) 106.318 37.974 ( 0.464 0.000 1.655) 1.719 38.049 ( 2.899 0.000 3.677) 4.682 38.151 ( -1.489 0.000 1.161) 1.889 38.263 ( -0.140 0.000 0.559) 0.576 38.298 ( -14.775 0.000 -0.511) 14.784 38.543 ( -0.133 0.000 2.427) 2.430 38.550 ( -1.206 0.000 1.177) 1.685 39.050 ( -2.433 0.000 0.512) 2.486 39.197 ( 2.959 0.000 -7.032) 7.630 39.251 ( -0.823 0.000 -4.217) 4.297 39.602 ( -3.418 0.000 -5.895) 6.815 39.619 ( 0.206 0.000 -6.241) 6.244 39.728 ( 1.593 0.000 5.602) 5.824 40.060 ( 4.631 0.000 -1.034) 4.745 40.113 ( 7.120 0.000 3.688) 8.019 40.507 ( -3.994 0.000 1.638) 4.317 40.761 ( 71.423 0.000 -3.931) 71.531 40.886 ( -4.638 0.000 -2.827) 5.432 40.945 ( -2.884 0.000 6.162) 6.803 41.217 ( -2.625 0.000 3.971) 4.760 41.609 ( 1.766 0.000 4.980) 5.284 41.772 ( -23.725 0.000 -4.653) 24.177 42.006 ( -79.571 0.000 -0.478) 79.572 43.238 ( 9.579 0.000 -7.583) 12.217 ======================= Grid point 26 (11/57) ======================= q-point: ( 0.25 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.205 ( 27.655 0.000 24.848) 37.179 1.362 ( 30.301 0.000 26.759) 40.425 2.362 ( -33.136 0.000 5.972) 33.670 2.836 ( 29.680 0.000 28.473) 41.130 2.944 ( -21.691 0.000 9.364) 23.626 3.146 ( 19.955 0.000 24.718) 31.767 3.161 ( 9.859 0.000 12.941) 16.269 3.346 ( 5.996 0.000 8.070) 10.053 3.554 ( 7.037 0.000 8.303) 10.884 3.683 ( -6.411 0.000 6.143) 8.879 3.716 ( 1.100 0.000 -7.180) 7.264 3.884 ( 3.988 0.000 -7.531) 8.521 4.019 ( 5.849 0.000 6.731) 8.917 4.180 ( 9.469 0.000 6.734) 11.619 4.193 ( -1.433 0.000 2.446) 2.834 4.344 ( -3.613 0.000 9.289) 9.967 4.406 ( -9.770 0.000 7.816) 12.512 4.470 ( -7.671 0.000 2.551) 8.084 4.525 ( -14.378 0.000 -0.129) 14.379 4.705 ( -7.479 0.000 5.103) 9.054 4.834 ( 4.052 0.000 4.440) 6.011 4.901 ( 1.724 0.000 -2.060) 2.686 5.021 ( -23.885 0.000 1.278) 23.919 5.076 ( 1.549 0.000 0.201) 1.562 5.083 ( -3.390 0.000 1.810) 3.843 5.125 ( -4.941 0.000 2.340) 5.467 5.293 ( -15.033 0.000 8.211) 17.129 5.368 ( 2.268 0.000 5.547) 5.993 5.437 ( -9.146 0.000 -0.797) 9.180 5.466 ( 2.435 0.000 2.858) 3.755 5.562 ( 11.303 0.000 1.778) 11.442 5.697 ( 1.701 0.000 -1.880) 2.535 5.735 ( 8.340 0.000 8.015) 11.567 5.782 ( 3.646 0.000 -0.180) 3.650 5.829 ( -0.974 0.000 -1.107) 1.474 5.881 ( 0.200 0.000 -4.071) 4.076 5.919 ( -1.796 0.000 -3.696) 4.109 6.067 ( -8.169 0.000 1.749) 8.354 6.111 ( 6.924 0.000 -3.981) 7.987 6.168 ( 1.490 0.000 -5.736) 5.926 6.359 ( -0.275 0.000 4.861) 4.869 6.436 ( -2.212 0.000 7.135) 7.470 6.524 ( 6.810 0.000 -3.526) 7.668 6.552 ( -0.844 0.000 -1.843) 2.027 6.577 ( 5.546 0.000 2.372) 6.032 6.587 ( -4.332 0.000 0.078) 4.332 6.621 ( 10.337 0.000 2.023) 10.533 6.657 ( -9.399 0.000 0.634) 9.420 6.714 ( 4.506 0.000 2.742) 5.275 6.875 ( -4.346 0.000 -7.348) 8.537 6.915 ( 2.319 0.000 -4.078) 4.691 6.965 ( 0.761 0.000 0.899) 1.178 7.012 ( -0.263 0.000 -2.400) 2.414 7.088 ( -6.761 0.000 0.509) 6.781 7.172 ( 2.840 0.000 -2.650) 3.884 7.357 ( -1.515 0.000 10.191) 10.303 7.437 ( -4.464 0.000 -2.635) 5.184 7.581 ( 3.083 0.000 11.262) 11.676 7.664 ( -5.625 0.000 -4.500) 7.204 7.670 ( 2.162 0.000 -5.371) 5.790 7.754 ( -8.409 0.000 1.304) 8.509 7.768 ( -10.805 0.000 2.525) 11.096 7.837 ( -1.153 0.000 -6.429) 6.531 7.906 ( -7.503 0.000 2.218) 7.824 8.033 ( -8.557 0.000 8.029) 11.734 8.114 ( -3.879 0.000 1.795) 4.274 8.174 ( 3.728 0.000 -3.258) 4.951 8.222 ( -7.532 0.000 0.070) 7.533 8.371 ( 4.663 0.000 0.393) 4.679 8.394 ( 3.229 0.000 5.744) 6.589 8.448 ( 0.702 0.000 -5.048) 5.097 8.556 ( -7.400 0.000 0.053) 7.401 8.658 ( 6.864 0.000 -2.669) 7.364 8.668 ( 0.702 0.000 -7.053) 7.087 8.786 ( -2.296 0.000 3.453) 4.147 8.861 ( 2.806 0.000 -2.235) 3.587 8.870 ( 0.703 0.000 2.416) 2.516 8.982 ( 0.542 0.000 -0.523) 0.753 9.141 ( -0.146 0.000 3.686) 3.689 9.170 ( -0.116 0.000 -0.331) 0.351 9.180 ( 0.416 0.000 -1.442) 1.501 9.206 ( -2.677 0.000 1.452) 3.045 9.329 ( -0.072 0.000 0.633) 0.638 9.333 ( 1.450 0.000 7.714) 7.849 9.430 ( 5.103 0.000 -4.127) 6.563 9.524 ( -1.852 0.000 1.023) 2.116 9.562 ( -0.901 0.000 3.119) 3.247 9.625 ( 2.130 0.000 6.340) 6.689 9.790 ( -9.940 0.000 4.581) 10.945 9.835 ( 0.339 0.000 -4.232) 4.246 9.957 ( 0.952 0.000 1.428) 1.716 10.086 ( 0.389 0.000 -1.884) 1.924 10.111 ( -2.868 0.000 6.380) 6.995 10.154 ( 1.023 0.000 4.519) 4.634 10.184 ( -0.084 0.000 -6.413) 6.414 10.256 ( -4.064 0.000 -10.684) 11.430 10.502 ( -2.159 0.000 -2.508) 3.309 10.569 ( 0.963 0.000 -3.336) 3.472 10.710 ( -1.291 0.000 4.359) 4.547 10.893 ( -2.972 0.000 -3.426) 4.535 10.927 ( 4.148 0.000 -2.457) 4.821 10.977 ( 6.735 0.000 -5.540) 8.721 11.080 ( -1.230 0.000 -4.236) 4.411 11.217 ( 2.211 0.000 0.993) 2.424 11.419 ( 14.771 0.000 -1.098) 14.812 11.430 ( 0.576 0.000 9.040) 9.058 11.545 ( 0.165 0.000 10.345) 10.346 11.579 ( 4.464 0.000 -3.376) 5.597 11.749 ( 3.206 0.000 5.650) 6.496 11.857 ( 1.608 0.000 -5.376) 5.612 11.922 ( 2.216 0.000 -6.185) 6.570 12.002 ( 5.097 0.000 -6.319) 8.119 12.113 ( 11.212 0.000 1.256) 11.282 12.278 ( -3.484 0.000 -5.238) 6.291 12.526 ( -10.917 0.000 6.717) 12.818 12.606 ( 5.890 0.000 -1.854) 6.175 12.703 ( -0.189 0.000 10.500) 10.501 12.721 ( -1.695 0.000 -4.066) 4.405 12.921 ( -2.781 0.000 -3.480) 4.455 13.110 ( 0.594 0.000 0.431) 0.733 13.514 ( 2.087 0.000 -2.315) 3.117 13.552 ( -2.497 0.000 0.178) 2.503 13.794 ( 10.079 0.000 0.635) 10.099 13.837 ( 4.216 0.000 -0.984) 4.330 13.948 ( 2.886 0.000 -1.821) 3.413 13.976 ( 3.003 0.000 -0.007) 3.003 14.121 ( -2.092 0.000 -12.543) 12.716 14.146 ( -2.187 0.000 -6.538) 6.895 14.210 ( 1.676 0.000 4.511) 4.812 14.242 ( -5.217 0.000 -4.579) 6.942 14.265 ( -2.777 0.000 0.129) 2.780 14.471 ( 3.460 0.000 3.309) 4.788 14.508 ( -2.206 0.000 1.177) 2.501 14.529 ( -1.269 0.000 4.188) 4.376 14.725 ( -1.104 0.000 3.559) 3.727 14.836 ( -3.082 0.000 7.466) 8.077 17.813 ( -3.241 0.000 -0.942) 3.375 17.912 ( -1.002 0.000 0.003) 1.002 17.931 ( 1.943 0.000 6.526) 6.809 17.970 ( 0.429 0.000 3.724) 3.749 18.052 ( 2.465 0.000 1.770) 3.035 18.175 ( -0.565 0.000 1.008) 1.155 18.195 ( -4.457 0.000 -6.210) 7.644 18.234 ( 1.633 0.000 1.351) 2.120 18.308 ( -2.558 0.000 1.006) 2.749 18.356 ( -4.135 0.000 -2.944) 5.075 18.498 ( -1.752 0.000 -10.534) 10.679 18.568 ( 6.097 0.000 -5.108) 7.953 18.960 ( 0.713 0.000 2.009) 2.131 19.195 ( -0.819 0.000 1.892) 2.062 19.219 ( 0.440 0.000 -1.965) 2.014 19.267 ( 0.263 0.000 -0.399) 0.478 19.866 ( -0.318 0.000 1.679) 1.709 19.999 ( -0.286 0.000 0.426) 0.513 20.446 ( 2.607 0.000 -5.706) 6.273 20.566 ( -0.092 0.000 0.335) 0.347 20.691 ( 0.143 0.000 -2.144) 2.148 20.773 ( 1.836 0.000 -5.387) 5.691 20.927 ( 0.417 0.000 -1.146) 1.219 20.942 ( 0.257 0.000 -0.258) 0.364 21.304 ( -0.637 0.000 1.147) 1.312 21.622 ( 4.709 0.000 2.498) 5.331 21.627 ( -5.882 0.000 5.016) 7.730 21.704 ( 2.368 0.000 -0.868) 2.522 21.762 ( -5.032 0.000 -3.865) 6.345 21.798 ( -0.615 0.000 -4.705) 4.745 21.894 ( -1.357 0.000 2.703) 3.024 22.105 ( 1.407 0.000 -5.877) 6.043 24.607 ( 0.191 0.000 2.541) 2.548 24.728 ( -1.835 0.000 3.292) 3.769 24.789 ( 0.525 0.000 0.998) 1.127 24.871 ( 0.586 0.000 2.280) 2.354 24.939 ( -0.167 0.000 0.216) 0.273 24.993 ( -0.833 0.000 2.095) 2.255 25.007 ( -0.921 0.000 -0.340) 0.982 25.137 ( 0.432 0.000 0.104) 0.444 28.784 ( 2.237 0.000 0.577) 2.310 28.847 ( -0.721 0.000 -0.616) 0.948 28.853 ( 0.017 0.000 -0.695) 0.695 28.898 ( 0.331 0.000 -0.902) 0.961 29.096 ( -0.493 0.000 -0.805) 0.943 29.124 ( -0.213 0.000 -0.429) 0.479 29.177 ( 0.134 0.000 -1.149) 1.157 29.224 ( 0.298 0.000 -1.407) 1.438 34.823 ( 0.702 0.000 1.925) 2.049 34.914 ( -1.314 0.000 -2.182) 2.547 35.090 ( 4.786 0.000 11.152) 12.136 35.132 ( -5.442 0.000 2.007) 5.800 35.189 ( 11.527 0.000 6.827) 13.397 35.626 ( -15.183 0.000 -11.727) 19.185 35.801 ( -10.556 0.000 -18.786) 21.548 37.663 ( -6.356 0.000 -10.649) 12.402 37.952 ( -3.756 0.000 5.607) 6.748 38.020 ( 2.957 0.000 2.705) 4.007 38.110 ( -2.785 0.000 0.406) 2.814 38.254 ( 11.197 0.000 -1.543) 11.303 38.255 ( -0.737 0.000 0.293) 0.793 38.546 ( -0.660 0.000 2.394) 2.483 38.605 ( 7.256 0.000 -2.956) 7.835 39.001 ( -1.468 0.000 -2.368) 2.786 39.269 ( 6.428 0.000 -6.085) 8.852 39.273 ( 4.836 0.000 -4.780) 6.800 39.529 ( -1.583 0.000 -4.717) 4.976 39.620 ( 1.648 0.000 -4.554) 4.843 39.739 ( -2.804 0.000 4.870) 5.619 39.919 ( -12.067 0.000 -0.296) 12.070 39.948 ( -19.308 0.000 10.323) 21.894 40.394 ( -40.827 0.000 22.245) 46.494 40.652 ( 11.386 0.000 2.467) 11.650 40.913 ( -1.794 0.000 3.572) 3.997 41.065 ( 16.718 0.000 -2.106) 16.851 41.211 ( 0.519 0.000 2.948) 2.994 41.615 ( -3.615 0.000 6.689) 7.603 41.770 ( -7.244 0.000 0.978) 7.310 42.148 ( 54.524 0.000 -42.513) 69.139 43.401 ( 8.356 0.000 -3.498) 9.058 ======================= Grid point 27 (12/57) ======================= q-point: (-0.50 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 57 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.672 ( -36.046 0.000 8.626) 37.063 1.912 ( 30.933 0.000 18.896) 36.248 2.060 ( -42.670 0.000 -6.723) 43.197 2.187 ( 31.975 0.000 14.849) 35.255 3.068 ( 3.813 0.000 5.701) 6.859 3.103 ( -17.488 0.000 -16.347) 23.939 3.234 ( -21.100 0.000 -1.626) 21.162 3.517 ( 15.460 0.000 5.512) 16.414 3.554 ( -59.303 0.000 11.031) 60.320 3.719 ( -3.798 0.000 -2.591) 4.598 3.801 ( 6.447 0.000 -8.439) 10.620 3.835 ( 3.155 0.000 4.795) 5.740 4.040 ( -22.408 0.000 7.846) 23.742 4.153 ( -4.047 0.000 6.582) 7.727 4.180 ( -14.956 0.000 3.641) 15.392 4.246 ( -0.925 0.000 3.821) 3.932 4.396 ( 16.608 0.000 13.178) 21.201 4.529 ( 8.749 0.000 13.591) 16.163 4.562 ( 6.614 0.000 9.042) 11.203 4.591 ( 7.277 0.000 7.470) 10.429 4.701 ( 26.553 0.000 20.711) 33.675 4.895 ( -4.105 0.000 -3.630) 5.480 4.961 ( -0.629 0.000 2.566) 2.642 5.002 ( -7.669 0.000 7.208) 10.525 5.096 ( 4.984 0.000 7.521) 9.023 5.121 ( 4.074 0.000 4.622) 6.161 5.311 ( 9.142 0.000 3.258) 9.705 5.427 ( -0.410 0.000 10.457) 10.465 5.482 ( -1.962 0.000 1.545) 2.497 5.551 ( 7.012 0.000 11.185) 13.201 5.676 ( -4.460 0.000 -1.476) 4.698 5.719 ( -2.261 0.000 -4.669) 5.188 5.722 ( 0.988 0.000 -1.101) 1.479 5.777 ( -7.080 0.000 1.380) 7.213 5.847 ( 1.663 0.000 1.772) 2.430 5.895 ( 0.189 0.000 2.405) 2.413 5.928 ( 4.873 0.000 5.104) 7.056 6.109 ( 6.132 0.000 -10.922) 12.525 6.183 ( -14.765 0.000 -5.607) 15.794 6.195 ( 14.315 0.000 -5.009) 15.166 6.312 ( 0.339 0.000 -3.507) 3.523 6.375 ( -1.746 0.000 -7.062) 7.275 6.423 ( -3.567 0.000 4.632) 5.846 6.450 ( -9.858 0.000 12.271) 15.740 6.646 ( 2.552 0.000 3.197) 4.090 6.665 ( 7.115 0.000 -3.693) 8.016 6.688 ( -3.803 0.000 9.398) 10.138 6.723 ( 3.472 0.000 0.352) 3.490 6.837 ( -0.152 0.000 -1.114) 1.125 6.891 ( 4.755 0.000 -0.527) 4.784 6.943 ( 4.466 0.000 -0.069) 4.467 6.959 ( -2.957 0.000 8.606) 9.100 7.062 ( 10.664 0.000 0.619) 10.682 7.116 ( 7.145 0.000 3.039) 7.765 7.210 ( -3.351 0.000 0.464) 3.383 7.331 ( -1.997 0.000 -2.943) 3.557 7.455 ( 1.475 0.000 0.547) 1.573 7.527 ( -5.175 0.000 -1.116) 5.293 7.544 ( -0.453 0.000 -2.805) 2.841 7.599 ( -2.573 0.000 -4.574) 5.248 7.671 ( 3.532 0.000 -0.762) 3.613 7.702 ( 5.464 0.000 13.408) 14.478 7.751 ( -4.725 0.000 0.988) 4.827 7.815 ( -1.699 0.000 -1.587) 2.325 8.015 ( 0.139 0.000 8.202) 8.204 8.117 ( 0.727 0.000 2.399) 2.506 8.166 ( 2.045 0.000 -1.304) 2.426 8.299 ( 4.867 0.000 0.727) 4.921 8.316 ( -3.613 0.000 -0.301) 3.626 8.356 ( 0.195 0.000 -3.291) 3.296 8.442 ( -6.128 0.000 5.281) 8.089 8.581 ( 1.854 0.000 -8.483) 8.683 8.630 ( 1.438 0.000 -6.163) 6.329 8.719 ( 2.909 0.000 0.504) 2.952 8.821 ( -0.224 0.000 3.649) 3.656 8.856 ( -3.744 0.000 -1.743) 4.130 8.939 ( 5.816 0.000 2.503) 6.332 8.962 ( -0.597 0.000 1.500) 1.615 9.099 ( -6.020 0.000 5.419) 8.100 9.130 ( -1.175 0.000 -4.368) 4.524 9.190 ( 0.308 0.000 0.660) 0.729 9.192 ( 0.767 0.000 -0.648) 1.004 9.311 ( -0.158 0.000 -0.716) 0.733 9.342 ( -2.460 0.000 3.151) 3.997 9.448 ( -4.630 0.000 -0.347) 4.643 9.490 ( 0.842 0.000 0.971) 1.285 9.582 ( 0.549 0.000 5.199) 5.228 9.641 ( -4.086 0.000 2.479) 4.780 9.736 ( 0.272 0.000 6.630) 6.636 9.877 ( 5.087 0.000 -11.001) 12.121 9.958 ( -0.767 0.000 -0.696) 1.036 9.995 ( -4.998 0.000 -9.613) 10.834 10.060 ( -0.767 0.000 -3.418) 3.503 10.122 ( 0.130 0.000 5.217) 5.219 10.166 ( -0.270 0.000 1.940) 1.959 10.317 ( 5.751 0.000 1.349) 5.907 10.414 ( -4.143 0.000 -5.986) 7.280 10.572 ( 1.111 0.000 -1.175) 1.618 10.740 ( 1.788 0.000 0.800) 1.959 10.856 ( 1.228 0.000 -2.266) 2.577 10.925 ( -1.692 0.000 -7.291) 7.485 11.049 ( -0.184 0.000 -2.144) 2.152 11.115 ( 5.067 0.000 -1.511) 5.287 11.236 ( -0.462 0.000 1.456) 1.528 11.436 ( -3.584 0.000 7.598) 8.400 11.519 ( -4.014 0.000 -5.066) 6.463 11.571 ( -3.274 0.000 -11.569) 12.024 11.582 ( -1.108 0.000 9.015) 9.083 11.769 ( -3.359 0.000 6.799) 7.583 11.860 ( 0.984 0.000 -7.337) 7.403 11.919 ( 0.055 0.000 -5.199) 5.199 11.999 ( -2.864 0.000 -3.826) 4.779 12.166 ( -5.188 0.000 -4.404) 6.806 12.263 ( -2.346 0.000 7.634) 7.987 12.325 ( 3.612 0.000 -3.031) 4.715 12.558 ( -6.733 0.000 -8.909) 11.167 12.746 ( 5.286 0.000 -2.557) 5.872 12.905 ( 1.524 0.000 -2.228) 2.699 13.075 ( 20.242 0.000 23.189) 30.781 13.078 ( -2.837 0.000 -0.927) 2.985 13.518 ( -0.677 0.000 -1.544) 1.686 13.585 ( 3.352 0.000 -3.097) 4.563 13.759 ( -3.030 0.000 -3.482) 4.616 13.900 ( -3.314 0.000 -7.641) 8.329 13.937 ( -2.879 0.000 -1.014) 3.052 13.981 ( -6.599 0.000 -9.044) 11.195 14.044 ( -0.745 0.000 -2.178) 2.302 14.118 ( 9.376 0.000 -1.597) 9.511 14.262 ( 6.646 0.000 3.601) 7.559 14.273 ( 1.975 0.000 3.873) 4.348 14.352 ( 3.767 0.000 4.859) 6.148 14.494 ( 1.770 0.000 3.311) 3.755 14.505 ( -0.905 0.000 0.747) 1.173 14.528 ( -0.203 0.000 2.728) 2.735 14.739 ( 0.332 0.000 4.730) 4.741 14.824 ( -1.648 0.000 9.886) 10.023 17.754 ( -1.458 0.000 -0.345) 1.498 17.890 ( -0.575 0.000 -0.330) 0.663 17.949 ( -3.809 0.000 -0.917) 3.918 17.963 ( -2.747 0.000 1.766) 3.266 18.036 ( -1.159 0.000 0.100) 1.163 18.045 ( -4.994 0.000 -8.672) 10.007 18.200 ( -3.110 0.000 -0.166) 3.115 18.236 ( 1.995 0.000 2.320) 3.060 18.282 ( -0.562 0.000 -0.729) 0.921 18.363 ( 4.239 0.000 2.147) 4.752 18.434 ( -0.109 0.000 -7.076) 7.077 18.632 ( 2.406 0.000 -3.777) 4.479 18.970 ( -0.648 0.000 1.465) 1.602 19.210 ( 1.205 0.000 2.295) 2.592 19.219 ( 0.394 0.000 -1.954) 1.993 19.269 ( 0.043 0.000 -0.498) 0.500 19.868 ( -0.261 0.000 1.802) 1.821 19.997 ( -0.031 0.000 0.451) 0.452 20.455 ( 0.844 0.000 -6.471) 6.526 20.567 ( -0.000 0.000 0.402) 0.402 20.694 ( 0.822 0.000 -1.427) 1.647 20.766 ( 0.043 0.000 -6.589) 6.589 20.927 ( 0.057 0.000 -1.405) 1.406 20.943 ( -0.036 0.000 -0.323) 0.325 21.301 ( -0.080 0.000 1.384) 1.386 21.603 ( 1.078 0.000 2.718) 2.924 21.633 ( -4.989 0.000 -2.464) 5.564 21.743 ( -1.136 0.000 -5.048) 5.174 21.746 ( 5.404 0.000 1.167) 5.528 21.775 ( 3.302 0.000 0.070) 3.303 21.910 ( 1.385 0.000 4.965) 5.154 22.106 ( 1.078 0.000 -5.825) 5.924 24.627 ( 0.360 0.000 2.908) 2.930 24.713 ( -0.869 0.000 2.865) 2.994 24.797 ( -0.393 0.000 1.243) 1.304 24.864 ( -1.508 0.000 0.702) 1.663 24.932 ( -0.247 0.000 -0.041) 0.250 25.003 ( 0.534 0.000 -0.126) 0.549 25.020 ( 1.630 0.000 4.607) 4.887 25.139 ( -0.199 0.000 -0.208) 0.287 28.811 ( -1.845 0.000 -0.618) 1.946 28.827 ( 1.008 0.000 -0.327) 1.060 28.853 ( 0.220 0.000 -0.602) 0.641 28.900 ( 0.190 0.000 -0.902) 0.921 29.092 ( 0.551 0.000 -0.416) 0.691 29.121 ( 0.113 0.000 -0.381) 0.397 29.176 ( 0.237 0.000 -1.146) 1.171 29.224 ( 0.290 0.000 -1.409) 1.439 34.839 ( -0.428 0.000 2.173) 2.215 34.884 ( -0.523 0.000 -1.453) 1.544 34.996 ( -5.566 0.000 0.773) 5.620 35.222 ( -14.126 0.000 -5.775) 15.260 35.246 ( 3.226 0.000 10.566) 11.048 35.437 ( -16.653 0.000 -33.962) 37.825 35.503 ( 11.922 0.000 2.289) 12.139 37.202 ( -28.354 0.000 14.223) 31.722 37.974 ( 1.042 0.000 -0.812) 1.321 38.045 ( -3.326 0.000 0.583) 3.377 38.103 ( 3.137 0.000 3.192) 4.476 38.245 ( -0.147 0.000 0.244) 0.284 38.407 ( 5.127 0.000 1.637) 5.382 38.539 ( -0.768 0.000 1.942) 2.088 38.678 ( -0.696 0.000 -3.275) 3.348 39.006 ( 3.605 0.000 -4.166) 5.509 39.304 ( -3.052 0.000 -4.215) 5.204 39.393 ( 6.643 0.000 -2.363) 7.051 39.558 ( 6.379 0.000 1.257) 6.502 39.560 ( -5.950 0.000 -3.203) 6.758 39.718 ( 2.389 0.000 0.226) 2.400 39.746 ( -0.774 0.000 3.738) 3.818 39.750 ( -3.721 0.000 -1.912) 4.184 39.957 ( -14.051 0.000 3.343) 14.443 40.808 ( -0.230 0.000 5.075) 5.081 40.910 ( 0.187 0.000 6.238) 6.241 41.275 ( 4.586 0.000 0.397) 4.604 41.396 ( 9.881 0.000 0.433) 9.891 41.531 ( -6.178 0.000 6.245) 8.785 41.568 ( -8.100 0.000 -0.676) 8.128 42.745 ( 24.120 0.000 -28.456) 37.303 43.530 ( 5.423 0.000 -6.948) 8.813 ======================= Grid point 28 (13/57) ======================= q-point: (-0.25 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.000 ( -32.912 0.000 18.954) 37.980 1.101 ( -39.587 0.000 14.833) 42.275 2.148 ( -68.564 0.000 38.174) 78.475 2.593 ( 26.577 0.000 17.308) 31.716 2.787 ( 6.487 0.000 7.141) 9.648 2.902 ( -10.039 0.000 13.610) 16.912 3.045 ( 17.178 0.000 8.031) 18.963 3.069 ( -2.252 0.000 0.503) 2.308 3.524 ( -15.618 0.000 8.384) 17.726 3.650 ( -9.867 0.000 2.817) 10.261 3.828 ( -7.806 0.000 3.747) 8.659 3.924 ( 5.738 0.000 -2.909) 6.434 3.939 ( 5.646 0.000 -4.453) 7.191 3.954 ( 1.431 0.000 7.733) 7.864 4.080 ( 2.323 0.000 1.733) 2.898 4.313 ( 5.349 0.000 -3.206) 6.236 4.493 ( -1.735 0.000 1.777) 2.483 4.555 ( -5.168 0.000 7.804) 9.360 4.689 ( 8.618 0.000 5.326) 10.131 4.767 ( -3.390 0.000 1.780) 3.829 4.815 ( 4.678 0.000 5.814) 7.462 4.936 ( -1.692 0.000 5.440) 5.698 5.013 ( 4.572 0.000 3.290) 5.633 5.036 ( 1.874 0.000 -2.422) 3.062 5.250 ( -9.585 0.000 2.285) 9.854 5.309 ( 6.804 0.000 0.624) 6.833 5.392 ( -6.331 0.000 2.272) 6.727 5.420 ( -4.496 0.000 -1.014) 4.609 5.504 ( 0.689 0.000 8.730) 8.758 5.552 ( -3.946 0.000 -0.774) 4.022 5.663 ( 3.453 0.000 16.196) 16.560 5.680 ( -3.409 0.000 -3.233) 4.699 5.699 ( -5.056 0.000 2.961) 5.860 5.825 ( 0.587 0.000 -1.911) 1.999 5.860 ( 2.679 0.000 8.750) 9.151 5.934 ( 6.949 0.000 -2.632) 7.431 5.968 ( -1.128 0.000 8.198) 8.276 6.090 ( 6.435 0.000 0.217) 6.439 6.126 ( 0.187 0.000 -7.617) 7.619 6.235 ( -6.440 0.000 -0.275) 6.446 6.326 ( 0.344 0.000 -2.273) 2.299 6.339 ( 7.783 0.000 7.910) 11.097 6.423 ( 3.203 0.000 1.293) 3.454 6.502 ( 8.017 0.000 -0.270) 8.021 6.591 ( -5.746 0.000 -1.609) 5.967 6.681 ( -2.559 0.000 2.917) 3.880 6.735 ( 0.592 0.000 4.206) 4.248 6.767 ( 3.361 0.000 0.569) 3.409 6.864 ( 1.361 0.000 0.106) 1.365 6.905 ( -7.257 0.000 -0.403) 7.268 6.976 ( 0.015 0.000 1.837) 1.837 7.026 ( 4.660 0.000 2.247) 5.173 7.131 ( -3.389 0.000 0.123) 3.391 7.157 ( -2.304 0.000 0.904) 2.475 7.211 ( -6.209 0.000 -4.248) 7.523 7.238 ( 2.561 0.000 -1.604) 3.022 7.423 ( -6.542 0.000 -9.567) 11.590 7.496 ( 7.364 0.000 -3.529) 8.166 7.631 ( 3.927 0.000 -0.702) 3.989 7.669 ( 6.872 0.000 6.122) 9.204 7.734 ( 5.768 0.000 1.414) 5.939 7.765 ( 0.551 0.000 -3.625) 3.666 7.852 ( 9.222 0.000 2.719) 9.614 7.944 ( 9.535 0.000 6.151) 11.347 8.066 ( 4.168 0.000 6.240) 7.504 8.144 ( -2.146 0.000 -1.260) 2.488 8.185 ( -2.466 0.000 -3.038) 3.913 8.243 ( -0.205 0.000 1.267) 1.284 8.265 ( -7.495 0.000 2.195) 7.810 8.378 ( 1.547 0.000 3.555) 3.877 8.510 ( 2.363 0.000 -1.047) 2.585 8.603 ( 15.120 0.000 7.694) 16.965 8.671 ( 1.712 0.000 -3.730) 4.104 8.735 ( -1.073 0.000 -0.129) 1.081 8.834 ( 4.312 0.000 -5.598) 7.066 8.880 ( -2.387 0.000 -0.893) 2.548 8.912 ( -4.806 0.000 -2.487) 5.411 8.943 ( -2.798 0.000 5.127) 5.841 9.044 ( 0.086 0.000 6.009) 6.009 9.108 ( -0.305 0.000 -3.460) 3.473 9.189 ( -0.444 0.000 0.464) 0.642 9.220 ( 1.948 0.000 2.148) 2.900 9.262 ( -5.519 0.000 1.965) 5.859 9.349 ( 4.046 0.000 -3.773) 5.532 9.358 ( -2.936 0.000 2.967) 4.174 9.501 ( -3.116 0.000 -1.142) 3.319 9.514 ( -3.363 0.000 4.497) 5.616 9.594 ( -1.616 0.000 4.499) 4.780 9.811 ( 4.291 0.000 10.683) 11.513 9.907 ( 2.438 0.000 -10.073) 10.364 9.930 ( -2.522 0.000 3.987) 4.718 9.949 ( 1.655 0.000 -2.811) 3.262 10.066 ( 2.741 0.000 -3.899) 4.766 10.099 ( -2.804 0.000 -0.466) 2.842 10.221 ( 5.138 0.000 -3.999) 6.510 10.383 ( 6.595 0.000 5.651) 8.685 10.444 ( 5.023 0.000 -3.331) 6.027 10.593 ( -0.059 0.000 1.680) 1.681 10.757 ( -0.915 0.000 5.169) 5.250 10.828 ( -3.199 0.000 -3.913) 5.054 10.907 ( 4.200 0.000 -4.900) 6.453 11.053 ( 1.213 0.000 -2.248) 2.554 11.129 ( -4.204 0.000 -0.356) 4.219 11.230 ( -0.920 0.000 1.811) 2.031 11.260 ( -14.877 0.000 -8.250) 17.011 11.356 ( -12.666 0.000 -14.132) 18.977 11.371 ( -4.173 0.000 6.113) 7.402 11.555 ( -5.043 0.000 9.924) 11.132 11.731 ( -3.216 0.000 6.452) 7.209 11.836 ( 0.409 0.000 -7.349) 7.360 11.901 ( -5.277 0.000 -3.380) 6.267 11.908 ( 0.893 0.000 -4.425) 4.514 12.060 ( -3.472 0.000 -0.112) 3.474 12.331 ( 4.253 0.000 4.882) 6.475 12.368 ( 1.261 0.000 -4.065) 4.256 12.444 ( 0.145 0.000 -7.268) 7.269 12.794 ( -0.636 0.000 -0.402) 0.753 12.951 ( 4.255 0.000 -1.468) 4.501 13.027 ( -0.856 0.000 -3.541) 3.643 13.455 ( 4.110 0.000 -1.775) 4.477 13.518 ( 1.711 0.000 -1.555) 2.312 13.546 ( -1.955 0.000 -2.879) 3.480 13.724 ( -3.036 0.000 -6.126) 6.837 13.768 ( -8.245 0.000 0.111) 8.246 13.837 ( -0.177 0.000 -4.773) 4.777 13.928 ( 6.589 0.000 3.327) 7.381 14.083 ( 1.058 0.000 0.309) 1.102 14.256 ( 1.474 0.000 -4.911) 5.128 14.316 ( 1.298 0.000 1.789) 2.210 14.352 ( 1.182 0.000 -0.626) 1.337 14.418 ( 2.286 0.000 0.148) 2.291 14.451 ( -3.808 0.000 -1.386) 4.052 14.559 ( 1.743 0.000 3.472) 3.885 14.569 ( 1.464 0.000 2.088) 2.550 14.755 ( -0.915 0.000 4.995) 5.078 14.847 ( 0.030 0.000 9.811) 9.811 17.767 ( 2.087 0.000 3.378) 3.971 17.785 ( -5.819 0.000 -4.680) 7.467 17.871 ( -1.648 0.000 0.206) 1.661 17.901 ( 0.855 0.000 1.987) 2.163 18.024 ( -1.161 0.000 1.253) 1.708 18.029 ( 1.370 0.000 4.250) 4.466 18.131 ( -1.740 0.000 -0.293) 1.764 18.271 ( -0.062 0.000 -1.321) 1.323 18.281 ( 0.587 0.000 1.088) 1.236 18.427 ( 0.773 0.000 -3.781) 3.859 18.445 ( 2.358 0.000 0.266) 2.373 18.637 ( -0.127 0.000 -5.511) 5.513 18.944 ( -1.820 0.000 0.216) 1.833 19.219 ( 0.358 0.000 -1.940) 1.973 19.258 ( 2.098 0.000 1.767) 2.743 19.266 ( -0.075 0.000 -0.566) 0.571 19.869 ( -0.394 0.000 1.785) 1.828 20.001 ( 0.107 0.000 0.471) 0.483 20.426 ( -0.946 0.000 -6.689) 6.755 20.568 ( -0.076 0.000 0.500) 0.506 20.710 ( 0.927 0.000 -0.457) 1.034 20.734 ( 0.122 0.000 -6.815) 6.816 20.921 ( 0.127 0.000 -1.537) 1.542 20.941 ( -0.092 0.000 -0.125) 0.155 21.310 ( 0.138 0.000 1.689) 1.694 21.546 ( -2.362 0.000 -0.720) 2.469 21.629 ( 0.189 0.000 0.029) 0.191 21.730 ( 2.025 0.000 -3.861) 4.360 21.842 ( 3.199 0.000 -0.460) 3.232 21.864 ( 4.563 0.000 0.895) 4.650 21.998 ( 5.310 0.000 4.764) 7.134 22.101 ( 1.033 0.000 -6.412) 6.495 24.624 ( -1.864 0.000 2.854) 3.409 24.735 ( 1.883 0.000 2.987) 3.531 24.785 ( -0.885 0.000 0.822) 1.208 24.833 ( -1.518 0.000 0.754) 1.695 24.934 ( 0.248 0.000 -0.218) 0.330 25.020 ( 0.918 0.000 0.253) 0.952 25.083 ( 2.309 0.000 4.123) 4.725 25.130 ( -0.524 0.000 0.000) 0.524 28.762 ( -1.922 0.000 -0.131) 1.927 28.839 ( 0.258 0.000 -0.799) 0.840 28.856 ( 0.255 0.000 -0.578) 0.632 28.898 ( 0.024 0.000 -0.893) 0.893 29.110 ( 1.032 0.000 -0.179) 1.048 29.120 ( -0.183 0.000 -0.760) 0.782 29.177 ( 0.340 0.000 -1.164) 1.212 29.224 ( 0.274 0.000 -1.398) 1.425 34.839 ( -1.007 0.000 3.616) 3.754 34.855 ( -1.278 0.000 2.599) 2.896 34.912 ( -10.726 0.000 -5.933) 12.258 34.943 ( -0.012 0.000 -0.812) 0.812 34.996 ( -7.101 0.000 -1.500) 7.258 35.299 ( -1.623 0.000 7.065) 7.249 35.730 ( 9.077 0.000 -2.893) 9.527 36.693 ( -26.265 0.000 8.004) 27.457 37.988 ( -2.205 0.000 0.911) 2.386 37.997 ( 1.318 0.000 1.815) 2.243 38.156 ( 0.571 0.000 2.465) 2.530 38.254 ( 0.674 0.000 0.638) 0.928 38.472 ( -0.499 0.000 -2.919) 2.961 38.536 ( -0.219 0.000 1.953) 1.966 38.595 ( -4.304 0.000 -0.515) 4.335 39.068 ( 1.590 0.000 0.373) 1.633 39.208 ( -1.965 0.000 -6.317) 6.615 39.337 ( -5.973 0.000 -2.295) 6.399 39.625 ( 7.403 0.000 -0.007) 7.403 39.665 ( -2.230 0.000 -4.793) 5.287 39.722 ( -5.557 0.000 -0.452) 5.575 39.757 ( 12.148 0.000 7.767) 14.419 39.855 ( 10.239 0.000 -1.172) 10.306 39.972 ( 17.633 0.000 0.127) 17.633 40.697 ( -10.487 0.000 3.367) 11.014 40.951 ( -0.544 0.000 9.007) 9.023 41.175 ( -17.928 0.000 1.147) 17.964 41.287 ( -4.778 0.000 3.486) 5.915 41.521 ( 3.862 0.000 3.056) 4.924 41.714 ( 9.451 0.000 -1.364) 9.549 43.015 ( 12.185 0.000 -16.674) 20.651 43.423 ( -16.667 0.000 -30.210) 34.502 ======================= Grid point 29 (14/57) ======================= q-point: ( 0.00 0.20 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 91 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.189 ( -10.291 26.810 32.434) 43.320 1.325 ( 9.433 33.045 33.389) 47.914 1.896 ( 15.858 37.248 54.541) 67.923 2.584 ( -3.104 -21.980 23.892) 32.612 2.845 ( 9.794 -19.903 16.965) 27.926 3.047 ( -12.953 16.030 9.653) 22.758 3.190 ( 5.156 11.012 17.255) 21.108 3.345 ( -0.109 4.884 6.878) 8.437 3.472 ( 1.576 1.846 -0.126) 2.431 3.646 ( 10.165 0.121 5.315) 11.471 3.678 ( -1.965 -0.368 9.802) 10.003 3.871 ( -7.937 1.643 0.024) 8.106 3.994 ( 3.038 -1.719 -3.829) 5.182 4.035 ( 2.059 1.173 -2.813) 3.678 4.233 ( -1.194 0.183 -2.719) 2.976 4.396 ( 2.653 5.639 8.047) 10.178 4.416 ( 1.332 0.136 0.937) 1.634 4.502 ( -4.114 -8.707 1.907) 9.817 4.745 ( -2.546 -9.435 1.083) 9.832 4.801 ( -4.782 -4.513 4.898) 8.199 4.841 ( 0.839 -2.343 5.800) 6.311 4.889 ( 2.021 -4.923 5.007) 7.307 4.924 ( -3.946 -2.693 1.228) 4.933 5.036 ( -5.395 3.108 -0.365) 6.237 5.105 ( 0.097 -10.916 3.481) 11.458 5.176 ( 5.130 -6.616 2.391) 8.707 5.271 ( -1.863 -3.347 -3.161) 4.967 5.324 ( -2.904 -3.414 -2.229) 5.005 5.419 ( 2.953 -2.072 2.645) 4.473 5.519 ( -4.010 -4.649 1.594) 6.343 5.555 ( 1.453 1.175 4.580) 4.946 5.631 ( -0.745 -4.098 2.664) 4.944 5.708 ( -6.785 2.954 1.953) 7.653 5.780 ( -1.508 -0.487 1.986) 2.541 5.822 ( -0.902 -5.971 0.134) 6.040 5.921 ( -1.188 -1.693 -0.577) 2.147 5.941 ( 0.764 -3.657 -1.975) 4.226 6.067 ( -1.675 -1.736 -4.604) 5.198 6.098 ( -0.256 -5.206 -2.423) 5.748 6.237 ( -4.376 -3.067 -0.675) 5.386 6.297 ( -0.613 -9.320 -0.433) 9.350 6.349 ( 4.540 -2.174 0.917) 5.116 6.393 ( -8.351 1.128 0.683) 8.454 6.507 ( -1.959 -0.100 0.162) 1.968 6.541 ( 1.862 0.260 2.168) 2.870 6.595 ( -7.842 0.637 0.925) 7.922 6.617 ( -0.645 -0.355 -2.390) 2.501 6.686 ( -9.491 -2.047 -7.541) 12.294 6.825 ( -1.985 0.077 1.880) 2.735 6.901 ( -2.140 3.382 1.190) 4.175 6.970 ( -3.960 2.433 0.396) 4.665 7.040 ( -4.737 1.133 1.232) 5.024 7.105 ( -1.230 3.438 -3.569) 5.106 7.147 ( -0.838 -2.679 -2.556) 3.796 7.262 ( 9.237 1.282 9.778) 13.512 7.301 ( 6.639 5.630 0.537) 8.721 7.426 ( 3.101 0.506 5.202) 6.078 7.475 ( -4.128 -7.891 4.684) 10.062 7.583 ( -0.041 0.657 -2.027) 2.131 7.744 ( -1.865 4.223 -1.079) 4.741 7.840 ( -1.279 -5.463 2.392) 6.099 7.904 ( 0.012 -4.255 2.681) 5.029 7.970 ( -2.022 1.354 -0.681) 2.527 8.007 ( -4.356 9.287 -0.937) 10.300 8.045 ( 4.142 7.034 1.681) 8.334 8.141 ( 6.721 0.448 0.154) 6.737 8.240 ( -0.252 4.218 -0.436) 4.248 8.294 ( -0.012 1.107 4.879) 5.003 8.403 ( 3.134 9.708 -1.680) 10.339 8.447 ( -3.886 4.292 -0.025) 5.790 8.514 ( -5.200 4.748 -3.028) 7.665 8.578 ( -2.363 -1.846 -0.781) 3.098 8.651 ( -4.687 -3.958 -2.685) 6.697 8.714 ( -0.191 5.269 -0.800) 5.333 8.829 ( 0.567 1.893 -3.961) 4.426 8.900 ( -5.763 0.175 0.648) 5.802 8.937 ( 4.872 0.929 -1.901) 5.312 8.998 ( 2.772 0.593 -1.377) 3.152 9.052 ( 1.725 -2.344 1.072) 3.102 9.104 ( 2.138 -2.020 0.598) 3.002 9.190 ( -0.682 -2.946 4.542) 5.456 9.257 ( 0.055 -2.809 1.748) 3.309 9.287 ( -0.035 -0.332 1.831) 1.861 9.347 ( -0.396 3.061 2.979) 4.290 9.477 ( 1.209 1.546 -3.647) 4.142 9.488 ( 3.776 -4.610 2.916) 6.634 9.572 ( 5.307 9.218 -7.043) 12.757 9.595 ( -0.561 1.975 0.857) 2.225 9.819 ( 1.927 -2.528 -0.734) 3.262 9.908 ( -3.050 -3.574 -3.365) 5.780 9.968 ( 1.783 0.800 2.627) 3.274 10.005 ( 0.924 -2.080 8.027) 8.344 10.085 ( 2.695 1.637 -1.099) 3.340 10.155 ( -2.324 2.723 2.931) 4.627 10.321 ( -5.509 1.983 -5.001) 7.700 10.369 ( 5.693 -3.224 -5.672) 8.659 10.536 ( -2.283 -0.140 -0.703) 2.393 10.749 ( -12.789 7.752 -6.032) 16.125 10.815 ( 0.285 0.552 5.063) 5.101 10.859 ( -9.236 7.572 -4.632) 12.810 10.932 ( 3.766 -2.565 -4.794) 6.614 10.956 ( -0.052 0.229 -3.982) 3.989 11.056 ( 6.715 -2.158 -0.084) 7.054 11.100 ( 12.097 -2.571 -1.724) 12.487 11.170 ( 10.391 -0.067 2.307) 10.644 11.179 ( 0.071 -2.194 -0.427) 2.237 11.303 ( 2.953 -5.007 3.952) 7.029 11.415 ( -0.933 -7.252 6.136) 9.546 11.754 ( -0.608 1.374 3.973) 4.248 11.773 ( -0.842 1.416 5.448) 5.692 11.898 ( 2.359 1.838 -4.896) 5.738 12.028 ( 2.300 4.922 -2.076) 5.816 12.049 ( 1.297 5.091 -0.068) 5.254 12.319 ( -0.120 -1.306 -0.119) 1.317 12.432 ( 4.189 -0.301 1.189) 4.364 12.570 ( 3.476 6.308 -1.611) 7.380 12.758 ( -0.995 -1.831 3.172) 3.795 12.852 ( -12.089 -8.163 -1.426) 14.656 13.044 ( 4.603 0.822 -0.987) 4.779 13.166 ( -7.466 1.286 -4.242) 8.683 13.553 ( -0.304 1.222 -0.962) 1.584 13.586 ( 2.235 -0.331 0.357) 2.287 13.658 ( 0.877 1.672 -0.311) 1.914 13.717 ( 0.817 1.044 -0.289) 1.357 13.877 ( 3.610 0.643 -1.146) 3.842 13.925 ( 0.985 -1.071 -0.278) 1.482 14.112 ( 0.887 0.603 0.315) 1.118 14.201 ( -0.350 0.001 -7.381) 7.390 14.292 ( -4.553 -1.301 -4.865) 6.789 14.326 ( -2.684 -2.822 -1.078) 4.041 14.358 ( -1.191 -0.049 0.050) 1.193 14.404 ( -3.839 0.052 -4.766) 6.120 14.534 ( -1.760 -0.611 2.657) 3.245 14.551 ( -1.788 0.026 -0.018) 1.789 14.780 ( -2.880 2.328 3.258) 4.932 14.851 ( -2.578 -1.514 6.855) 7.479 17.823 ( 3.105 -0.543 5.073) 5.972 17.846 ( 2.739 -1.176 3.520) 4.612 17.900 ( 1.870 0.563 3.868) 4.333 17.936 ( 0.713 -1.190 4.142) 4.368 18.010 ( 0.684 1.105 0.955) 1.612 18.099 ( 5.766 -4.961 5.026) 9.117 18.172 ( 3.419 -2.398 3.661) 5.554 18.244 ( -0.616 -1.602 -1.953) 2.600 18.274 ( -1.108 0.497 -1.164) 1.682 18.357 ( 0.425 -1.870 -0.843) 2.095 18.472 ( -3.166 1.503 -1.995) 4.033 18.565 ( -1.794 -1.963 -7.213) 7.688 18.942 ( 0.581 1.519 0.922) 1.869 19.126 ( -0.587 -4.992 0.525) 5.054 19.280 ( 0.023 2.959 -0.470) 2.997 19.330 ( -0.094 2.032 -2.218) 3.009 20.008 ( -0.248 7.315 -0.652) 7.349 20.236 ( 0.536 15.830 -12.997) 20.489 20.377 ( 3.240 -2.384 -3.540) 5.359 20.594 ( -0.266 2.276 -0.275) 2.308 20.667 ( 0.606 -4.485 -4.528) 6.402 20.718 ( 1.297 -1.766 -0.909) 2.372 20.932 ( 0.563 0.723 -1.166) 1.482 20.939 ( -0.216 0.203 -0.465) 0.552 21.443 ( 0.892 9.090 -7.605) 11.885 21.551 ( 1.439 0.777 0.251) 1.654 21.650 ( 1.890 0.914 0.161) 2.105 21.765 ( 1.984 -0.345 -3.275) 3.845 21.820 ( -2.817 -0.785 -1.997) 3.541 21.905 ( 0.827 -0.842 -0.301) 1.218 22.025 ( -11.795 6.039 -9.425) 16.261 22.110 ( 0.133 1.009 -8.023) 8.088 24.611 ( -0.951 0.996 2.730) 3.058 24.727 ( -1.611 -2.582 2.983) 4.262 24.807 ( -0.645 1.953 1.029) 2.300 24.834 ( 1.407 0.270 1.891) 2.373 24.939 ( 0.537 0.006 -0.164) 0.561 24.988 ( -1.838 -2.709 0.622) 3.332 25.075 ( -2.551 1.287 0.612) 2.922 25.125 ( 0.064 -0.256 0.480) 0.548 28.753 ( 0.625 0.595 0.540) 1.018 28.825 ( 0.629 -1.563 -0.223) 1.700 28.872 ( -0.082 0.763 -0.709) 1.045 28.894 ( 0.087 -0.163 -0.912) 0.931 29.112 ( -0.311 0.307 -0.726) 0.848 29.125 ( 0.285 -0.034 -0.280) 0.401 29.183 ( 0.253 0.495 -1.111) 1.242 29.220 ( 0.305 -0.387 -1.343) 1.430 34.822 ( -0.679 0.974 2.339) 2.623 34.910 ( 2.558 -1.621 6.911) 7.545 34.962 ( 0.078 2.324 -2.239) 3.228 35.017 ( 8.308 3.035 9.059) 12.661 35.207 ( -3.517 -3.993 1.637) 5.567 35.789 ( 66.353 -27.754 20.682) 74.838 35.876 ( 14.495 -4.710 -0.070) 15.241 36.173 ( -17.996 -5.970 1.739) 19.040 37.972 ( -0.152 -0.150 1.784) 1.797 38.025 ( -4.655 -2.713 5.879) 7.974 38.132 ( 0.657 0.109 2.208) 2.306 38.228 ( -4.318 -1.881 2.362) 5.269 38.291 ( -1.118 1.263 1.354) 2.163 38.509 ( -1.836 -3.455 0.846) 4.002 38.579 ( -1.203 3.521 2.054) 4.250 38.989 ( -1.241 -7.187 0.152) 7.295 39.199 ( 1.706 2.099 -6.178) 6.744 39.292 ( -0.419 3.216 -5.463) 6.353 39.541 ( -1.701 -5.172 -2.838) 6.139 39.592 ( -1.692 -2.187 -4.499) 5.281 39.729 ( 1.237 0.951 4.835) 5.081 39.982 ( 1.585 -5.837 1.147) 6.156 40.170 ( 7.864 3.721 1.428) 8.816 40.325 ( 7.383 -6.779 6.487) 11.939 40.879 ( 20.295 2.261 -5.150) 21.060 40.922 ( 7.324 1.667 -2.536) 7.928 40.994 ( 1.982 5.882 1.591) 6.408 41.240 ( -5.890 0.560 4.320) 7.326 41.413 ( -11.609 -6.929 3.569) 13.983 41.813 ( -49.578 -12.935 5.142) 51.495 42.061 ( 2.452 19.621 -1.935) 19.868 43.123 ( 8.839 -12.204 -6.883) 16.567 ======================= Grid point 30 (15/57) ======================= q-point: ( 0.25 0.20 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.505 ( 27.081 15.167 23.388) 38.864 1.662 ( 18.287 40.589 18.796) 48.323 2.555 ( -23.679 16.671 4.261) 29.271 2.692 ( 3.642 -13.904 13.939) 20.023 3.011 ( -24.194 7.109 6.955) 26.159 3.107 ( 42.003 9.218 36.660) 56.509 3.265 ( 6.313 -3.195 6.471) 9.588 3.367 ( 13.599 -1.068 14.321) 19.778 3.479 ( 1.867 -3.865 11.260) 12.051 3.644 ( -5.821 0.203 3.191) 6.642 3.766 ( 4.720 3.951 -2.656) 6.704 3.847 ( 1.921 -3.032 -4.949) 6.113 3.986 ( -3.102 -2.819 -1.608) 4.489 4.036 ( -6.578 -10.496 2.486) 12.634 4.257 ( 11.085 1.717 6.929) 13.185 4.349 ( -6.273 -3.781 5.107) 8.929 4.411 ( -7.712 1.848 0.973) 7.990 4.480 ( -0.907 5.643 10.653) 12.089 4.665 ( -9.294 6.256 1.332) 11.282 4.735 ( -6.038 -0.950 5.578) 8.275 4.803 ( -0.425 -0.490 1.271) 1.427 4.852 ( 2.748 1.093 5.735) 6.452 4.977 ( -2.076 -6.081 0.498) 6.445 5.056 ( -7.699 -1.061 6.570) 10.177 5.086 ( 4.437 0.014 -1.131) 4.579 5.182 ( -12.284 2.134 1.671) 12.579 5.260 ( -3.441 -5.151 4.015) 7.382 5.343 ( -8.172 -7.061 8.651) 13.838 5.397 ( 0.198 -1.177 1.567) 1.970 5.486 ( 9.870 -7.009 3.861) 12.707 5.542 ( -2.455 8.370 0.766) 8.757 5.609 ( 1.980 -4.737 2.071) 5.536 5.718 ( -2.071 -7.628 5.002) 9.354 5.741 ( 4.501 -6.210 -3.577) 8.462 5.787 ( -1.421 0.869 1.751) 2.416 5.836 ( -3.367 -0.339 -1.878) 3.870 5.930 ( 2.226 -2.080 -3.869) 4.924 6.010 ( -0.555 -3.473 1.336) 3.762 6.080 ( 7.636 -1.872 -6.071) 9.933 6.120 ( -5.267 -6.883 -4.395) 9.718 6.273 ( 1.754 -11.179 -1.645) 11.435 6.375 ( 3.589 -2.225 5.261) 6.746 6.422 ( -4.038 -4.145 3.108) 6.568 6.458 ( -8.347 -6.284 -1.671) 10.580 6.472 ( -0.150 -2.063 3.872) 4.390 6.564 ( 3.031 -5.413 0.597) 6.232 6.654 ( 2.726 -0.701 -1.447) 3.165 6.669 ( 0.847 -2.742 2.497) 3.804 6.771 ( 1.044 5.853 1.228) 6.071 6.862 ( -0.704 2.942 -3.641) 4.733 6.883 ( -5.464 -0.960 -4.900) 7.402 6.925 ( -0.520 -0.181 -1.141) 1.267 7.086 ( -3.614 -3.305 0.844) 4.969 7.118 ( 2.827 3.531 -1.222) 4.686 7.247 ( -5.338 1.718 -3.042) 6.379 7.332 ( -2.653 -2.735 9.088) 9.855 7.449 ( -4.024 2.890 -2.461) 5.532 7.531 ( 1.409 -3.861 2.127) 4.628 7.573 ( 1.432 0.082 3.722) 3.989 7.722 ( -6.923 0.416 -0.737) 6.975 7.749 ( -3.136 0.029 2.947) 4.303 7.852 ( -6.822 3.145 1.933) 7.757 7.931 ( 0.513 6.675 0.548) 6.717 7.969 ( -1.483 -2.575 2.189) 3.691 8.043 ( -2.170 8.625 5.486) 10.450 8.109 ( -7.579 4.148 -2.800) 9.082 8.142 ( -5.414 -2.329 -0.469) 5.912 8.299 ( 1.776 5.158 -1.803) 5.746 8.344 ( -0.927 4.757 2.654) 5.526 8.474 ( 1.822 6.697 -2.938) 7.537 8.522 ( 3.186 3.780 -2.343) 5.471 8.557 ( -2.221 2.614 1.819) 3.883 8.624 ( 2.239 0.448 -4.440) 4.993 8.720 ( 4.643 4.230 -3.910) 7.399 8.802 ( -1.318 1.163 3.145) 3.603 8.859 ( 1.302 0.022 -2.361) 2.696 8.991 ( -0.210 3.294 -0.099) 3.302 9.044 ( 1.659 5.296 -0.520) 5.574 9.085 ( 1.487 -5.090 -0.684) 5.346 9.137 ( 0.229 -2.574 0.833) 2.716 9.193 ( 0.216 0.104 1.040) 1.067 9.229 ( -1.015 -2.179 -2.017) 3.138 9.356 ( 0.810 0.271 0.930) 1.262 9.374 ( 1.095 2.306 6.609) 7.085 9.424 ( -3.402 4.368 -2.057) 5.906 9.554 ( 1.653 -0.470 3.384) 3.795 9.573 ( -2.918 8.255 -1.668) 8.913 9.643 ( 2.413 -0.275 3.033) 3.885 9.746 ( -6.412 -4.164 1.414) 7.775 9.840 ( 0.657 0.685 -4.070) 4.180 9.972 ( 1.081 2.491 3.372) 4.330 10.060 ( -0.551 -3.411 -0.420) 3.480 10.082 ( -3.080 -3.126 2.817) 5.214 10.128 ( -0.375 -0.003 -2.985) 3.008 10.240 ( -1.827 3.494 -4.026) 5.636 10.377 ( -0.280 8.896 -4.899) 10.159 10.436 ( -3.353 -4.750 0.514) 5.837 10.573 ( -2.166 2.708 -2.095) 4.052 10.741 ( -3.264 1.696 2.548) 4.474 10.863 ( -0.470 -1.896 -1.261) 2.325 10.942 ( 1.836 1.114 -4.144) 4.667 10.968 ( 3.303 -1.634 -4.799) 6.051 11.071 ( 1.707 -1.219 -2.781) 3.483 11.183 ( 1.148 -5.207 2.813) 6.029 11.320 ( 3.210 -6.676 2.611) 7.854 11.377 ( 10.188 -4.081 -0.655) 10.995 11.457 ( 3.197 -5.233 3.277) 6.953 11.595 ( 8.659 -2.468 -5.062) 10.329 11.796 ( 1.764 2.253 5.318) 6.039 11.825 ( 4.528 -0.070 4.592) 6.449 11.940 ( 2.981 1.721 -4.864) 5.959 12.053 ( 0.176 2.012 -2.297) 3.058 12.154 ( 8.045 4.970 -0.698) 9.482 12.280 ( -2.659 1.204 -4.519) 5.380 12.463 ( -10.034 -4.396 4.537) 11.857 12.584 ( -3.363 -5.217 2.570) 6.718 12.697 ( 8.667 5.257 2.133) 10.359 12.798 ( 3.120 3.072 1.511) 4.632 12.982 ( -7.962 4.866 -4.597) 10.402 13.101 ( -0.141 -0.961 -0.276) 1.010 13.516 ( 0.677 0.444 -1.686) 1.870 13.561 ( -1.895 0.481 -1.034) 2.211 13.794 ( 8.009 0.867 -0.606) 8.078 13.857 ( 5.452 1.562 -0.001) 5.671 13.947 ( 4.013 -0.121 -1.621) 4.330 13.968 ( 2.650 -1.049 -1.275) 3.123 14.112 ( -1.163 -0.266 -8.393) 8.478 14.149 ( -1.417 -0.113 -6.842) 6.988 14.216 ( -0.741 0.319 1.906) 2.069 14.240 ( -1.301 -0.164 -0.830) 1.552 14.268 ( -4.887 0.312 -2.212) 5.374 14.409 ( 2.736 -4.824 4.484) 7.132 14.519 ( -1.389 -0.271 1.581) 2.122 14.521 ( -0.627 -0.253 3.553) 3.616 14.741 ( -1.734 1.537 3.562) 4.249 14.817 ( -2.912 -1.501 6.995) 7.724 17.814 ( -2.836 0.314 -0.934) 3.002 17.898 ( -0.907 -1.457 0.445) 1.773 17.931 ( 1.486 0.050 5.522) 5.719 17.969 ( 0.482 -0.161 3.938) 3.971 18.070 ( 2.154 1.653 1.992) 3.367 18.160 ( -2.740 -1.844 -1.791) 3.758 18.185 ( -1.468 -0.865 -2.185) 2.770 18.219 ( 2.187 -2.770 2.063) 4.088 18.268 ( -0.900 -1.530 0.688) 1.904 18.360 ( -4.488 -0.879 -2.616) 5.269 18.464 ( 4.929 -4.068 -2.412) 6.830 18.489 ( -0.559 -2.431 -5.290) 5.848 18.968 ( 0.770 1.090 1.780) 2.225 19.126 ( 0.278 -4.130 0.490) 4.169 19.279 ( 0.118 3.214 -0.569) 3.266 19.316 ( -0.218 2.956 -1.806) 3.471 20.005 ( 0.384 8.724 -0.824) 8.772 20.130 ( -4.283 12.798 -4.487) 14.222 20.430 ( 2.599 -0.925 -6.539) 7.097 20.589 ( 0.058 2.094 -0.254) 2.110 20.666 ( 0.766 -2.922 -2.946) 4.219 20.737 ( 1.032 -2.809 -2.605) 3.968 20.934 ( 0.344 0.134 -1.344) 1.394 20.938 ( 0.053 0.006 -0.254) 0.259 21.404 ( -1.342 8.203 -4.944) 9.672 21.609 ( 2.829 -1.240 0.602) 3.147 21.658 ( -6.383 2.708 3.491) 7.763 21.704 ( 2.346 -0.113 -0.790) 2.478 21.747 ( -2.822 0.782 -3.873) 4.856 21.831 ( -2.730 2.207 -4.047) 5.358 21.901 ( -0.839 0.839 2.490) 2.758 22.087 ( 0.901 -2.029 -6.008) 6.404 24.616 ( 0.150 0.917 2.617) 2.777 24.710 ( -1.037 -1.718 3.194) 3.772 24.799 ( -0.377 1.131 1.332) 1.788 24.878 ( 1.452 0.395 2.033) 2.529 24.931 ( -1.920 -0.928 0.527) 2.196 24.962 ( 0.294 -1.280 0.554) 1.425 25.046 ( -0.711 2.405 0.729) 2.611 25.132 ( 0.324 -0.584 0.213) 0.701 28.789 ( 2.144 0.501 0.483) 2.254 28.836 ( 0.208 -0.826 -0.431) 0.955 28.862 ( -0.456 0.585 -0.744) 1.051 28.894 ( 0.232 -0.395 -0.856) 0.971 29.098 ( -0.523 0.263 -0.776) 0.972 29.121 ( -0.321 -0.326 -0.497) 0.675 29.183 ( 0.174 0.606 -1.105) 1.272 29.221 ( 0.276 -0.358 -1.342) 1.416 34.837 ( 0.917 1.526 2.030) 2.700 34.933 ( -1.601 1.967 -2.089) 3.286 35.016 ( 4.670 -4.778 6.605) 9.395 35.110 ( -5.593 -2.106 0.209) 5.980 35.329 ( 14.437 12.228 14.182) 23.645 35.635 ( -15.341 1.071 -11.783) 19.374 35.777 ( -12.012 -2.484 -17.230) 21.150 37.105 ( 15.391 -51.834 12.921) 55.593 37.952 ( -0.281 0.330 2.457) 2.494 38.014 ( 3.400 -0.971 2.147) 4.137 38.143 ( -4.040 2.262 1.197) 4.783 38.226 ( 5.761 -1.470 2.633) 6.502 38.273 ( -0.719 1.665 0.347) 1.846 38.493 ( 0.346 -6.425 1.702) 6.656 38.584 ( 1.529 2.618 1.109) 3.228 38.941 ( -2.724 -6.405 -1.036) 7.036 39.257 ( 5.964 0.447 -5.237) 7.950 39.310 ( 4.483 2.857 -5.369) 7.555 39.490 ( -1.654 -3.327 -2.728) 4.609 39.579 ( 1.315 -2.546 -3.478) 4.506 39.736 ( -2.449 0.050 3.910) 4.614 39.845 ( -11.488 -2.948 0.936) 11.897 40.055 ( -14.013 5.293 3.575) 15.400 40.282 ( -18.031 -6.025 11.617) 22.279 40.806 ( -6.419 7.774 5.416) 11.444 40.908 ( -1.788 -0.494 3.536) 3.993 41.096 ( 12.295 3.318 -0.621) 12.750 41.250 ( 4.873 3.343 0.961) 5.987 41.507 ( -1.984 -4.704 3.975) 6.470 41.903 ( 24.509 -2.117 -14.976) 28.801 42.101 ( 16.658 8.337 -13.352) 22.918 43.247 ( 4.975 -15.961 -2.848) 16.959 ======================= Grid point 31 (16/57) ======================= q-point: (-0.50 0.20 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 91 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.970 ( -30.922 27.637 4.804) 41.750 2.096 ( -19.022 14.492 0.828) 23.927 2.252 ( 0.167 22.988 12.467) 26.152 2.264 ( 35.448 10.137 11.533) 38.631 2.910 ( -20.589 -13.776 -3.857) 25.071 2.979 ( 8.372 -10.926 1.722) 13.872 3.351 ( -13.992 7.551 -8.375) 17.970 3.493 ( -14.524 -2.649 3.134) 15.092 3.633 ( -5.109 4.334 9.051) 11.261 3.690 ( -18.696 -6.012 -2.824) 19.841 3.746 ( -11.465 -15.047 1.636) 18.988 3.826 ( -7.400 6.005 1.345) 9.624 3.916 ( -1.398 4.186 5.095) 6.740 4.099 ( -3.569 -7.516 3.868) 9.176 4.230 ( 1.113 1.712 10.174) 10.377 4.340 ( -0.444 3.224 7.283) 7.977 4.387 ( 2.776 8.683 7.848) 12.029 4.554 ( 1.674 0.428 9.118) 9.280 4.642 ( -0.011 3.858 3.479) 5.195 4.661 ( 11.830 3.873 13.861) 18.630 4.743 ( 10.753 -2.335 9.080) 14.266 4.857 ( 7.108 6.897 6.476) 11.833 4.943 ( -4.142 -3.076 1.979) 5.526 4.971 ( 0.612 -1.661 6.244) 6.490 5.113 ( 2.439 -4.356 8.197) 9.597 5.116 ( 0.536 4.737 4.773) 6.746 5.288 ( 3.655 -8.771 2.404) 9.801 5.411 ( 0.138 1.428 2.906) 3.240 5.438 ( 2.240 -2.870 11.673) 12.227 5.586 ( 4.390 -0.284 4.674) 6.419 5.623 ( -4.906 -5.738 -0.599) 7.573 5.652 ( -2.224 -5.902 -0.221) 6.311 5.660 ( -3.068 -2.606 3.157) 5.116 5.758 ( 1.717 -9.891 -0.210) 10.041 5.825 ( 2.140 -0.391 3.211) 3.878 5.849 ( -0.182 1.647 2.227) 2.776 5.892 ( 2.973 -2.695 0.500) 4.043 6.023 ( -1.757 -16.821 -6.023) 17.953 6.094 ( -2.054 -2.769 -7.573) 8.321 6.178 ( 1.779 -3.460 -3.169) 5.018 6.289 ( 3.255 -4.935 -2.337) 6.357 6.300 ( 0.261 -2.212 -2.085) 3.051 6.379 ( -1.226 -1.426 6.184) 6.463 6.490 ( -4.849 1.974 2.544) 5.821 6.527 ( 5.024 -2.310 3.955) 6.798 6.563 ( 5.397 -13.024 6.987) 15.735 6.667 ( 1.419 -1.302 3.237) 3.766 6.694 ( -0.090 -4.995 5.167) 7.187 6.804 ( 2.632 1.641 2.056) 3.721 6.835 ( 2.167 -0.072 -0.756) 2.297 6.941 ( 1.608 -2.247 2.326) 3.612 7.003 ( 6.223 -0.697 -1.313) 6.398 7.041 ( 1.665 -2.114 -0.738) 2.791 7.137 ( -2.177 -0.461 -5.066) 5.533 7.238 ( 6.529 1.149 4.820) 8.197 7.325 ( -1.345 0.834 -2.247) 2.749 7.413 ( -1.645 -0.629 2.542) 3.092 7.500 ( -2.939 -1.227 -3.074) 4.426 7.565 ( -0.403 1.895 6.756) 7.028 7.654 ( 2.221 -1.245 6.487) 6.969 7.674 ( 0.973 1.425 0.565) 1.816 7.783 ( -0.582 6.184 -0.445) 6.227 7.885 ( -6.900 6.610 1.609) 9.690 7.920 ( -3.398 8.727 1.073) 9.426 7.998 ( -1.349 -1.349 1.180) 2.243 8.113 ( 3.583 10.433 4.432) 11.888 8.145 ( 5.618 -5.471 -0.210) 7.844 8.284 ( -2.534 1.266 -1.167) 3.064 8.338 ( 0.087 8.492 -0.586) 8.512 8.452 ( -4.391 4.398 -2.273) 6.617 8.523 ( 1.771 6.044 -0.558) 6.323 8.581 ( 4.107 -0.898 -3.729) 5.620 8.619 ( -1.762 2.801 -5.591) 6.497 8.771 ( 3.070 2.188 -0.908) 3.878 8.860 ( -0.262 1.271 -1.424) 1.926 8.913 ( 4.091 3.953 4.194) 7.068 8.937 ( -3.486 2.773 1.138) 4.597 9.031 ( -0.772 4.535 -1.539) 4.850 9.090 ( -1.681 -1.845 2.500) 3.532 9.157 ( 1.870 -0.799 -0.747) 2.167 9.176 ( -1.480 1.874 -1.540) 2.842 9.242 ( 1.721 0.799 -2.566) 3.191 9.290 ( -4.083 0.648 -1.276) 4.327 9.388 ( 1.827 2.635 -0.343) 3.225 9.394 ( -2.222 -3.658 2.815) 5.122 9.488 ( -4.157 -0.013 1.901) 4.571 9.572 ( -3.122 0.531 1.651) 3.571 9.665 ( -1.913 2.193 0.546) 2.961 9.720 ( 1.085 -1.552 5.874) 6.171 9.871 ( 3.810 -0.286 -6.883) 7.872 9.931 ( -3.943 -2.231 -5.908) 7.445 10.024 ( 0.076 2.509 -2.327) 3.423 10.051 ( -1.631 -2.302 -0.595) 2.883 10.135 ( 5.770 0.573 -0.527) 5.822 10.217 ( -1.684 6.132 1.898) 6.636 10.351 ( -2.110 0.389 -0.833) 2.302 10.432 ( 2.635 4.651 -0.960) 5.431 10.537 ( -0.405 -1.870 -0.680) 2.031 10.732 ( 1.196 -1.197 0.228) 1.707 10.862 ( 2.260 0.447 -2.044) 3.079 10.913 ( -2.316 -1.636 -5.913) 6.557 11.001 ( 1.412 -2.579 -0.451) 2.974 11.150 ( 3.230 0.654 -0.565) 3.343 11.191 ( -1.628 -6.383 3.820) 7.615 11.341 ( -2.425 -4.779 -0.267) 5.365 11.413 ( -2.490 -8.463 -0.250) 8.825 11.525 ( -0.287 -3.198 -8.814) 9.380 11.611 ( -4.063 0.838 -1.929) 4.575 11.832 ( -0.700 3.390 6.236) 7.132 11.902 ( -0.636 -0.517 -2.416) 2.552 11.920 ( -2.831 4.682 -4.413) 7.029 12.026 ( -1.145 1.577 -1.951) 2.758 12.148 ( -4.355 -1.416 -5.335) 7.031 12.245 ( -4.393 -2.281 6.631) 8.275 12.328 ( 4.968 3.023 -2.981) 6.535 12.591 ( -2.394 1.484 -5.133) 5.855 12.786 ( 1.830 3.941 -0.723) 4.405 12.893 ( -0.136 -1.013 -1.920) 2.175 13.026 ( 7.678 -3.522 9.731) 12.886 13.072 ( 4.941 -1.796 4.967) 7.233 13.524 ( -0.185 0.650 -1.021) 1.225 13.570 ( 2.758 -1.313 -3.063) 4.326 13.782 ( -2.682 2.231 -4.100) 5.383 13.898 ( -3.153 -1.167 -7.370) 8.101 13.926 ( -3.039 0.663 -2.726) 4.136 14.000 ( -7.234 0.772 -7.518) 10.462 14.055 ( 0.176 1.291 -1.349) 1.875 14.120 ( 8.355 0.515 -0.383) 8.380 14.262 ( 2.831 -0.335 3.578) 4.575 14.274 ( 6.411 0.320 3.392) 7.260 14.346 ( 3.956 -0.496 4.654) 6.128 14.452 ( 0.054 -3.198 2.216) 3.891 14.524 ( -0.765 0.223 3.665) 3.750 14.532 ( 2.339 0.625 2.343) 3.369 14.749 ( 0.527 1.048 5.043) 5.177 14.810 ( -1.003 -1.267 9.192) 9.333 17.758 ( -1.585 0.438 -0.853) 1.853 17.864 ( -1.873 -2.661 -1.908) 3.772 17.939 ( -3.176 -0.365 0.178) 3.202 17.969 ( -3.133 -0.035 1.053) 3.306 18.041 ( -2.699 0.308 -2.121) 3.446 18.042 ( -2.698 -0.033 -3.566) 4.472 18.200 ( -2.905 0.006 0.088) 2.906 18.240 ( 1.913 0.439 1.692) 2.591 18.259 ( -0.065 -2.126 0.077) 2.128 18.335 ( 2.324 -2.316 0.075) 3.282 18.445 ( 1.405 0.944 -2.564) 3.072 18.574 ( 3.537 -4.696 -1.200) 6.000 18.976 ( -0.742 0.920 1.262) 1.729 19.135 ( 0.272 -4.295 0.493) 4.332 19.281 ( 0.233 3.093 -0.404) 3.128 19.312 ( 0.575 3.082 -1.412) 3.439 20.020 ( 1.103 13.401 -0.918) 13.478 20.066 ( -0.140 6.598 -1.341) 6.734 20.433 ( 0.593 -1.582 -6.707) 6.917 20.593 ( 0.268 2.243 -0.128) 2.263 20.673 ( 1.048 -2.575 -2.615) 3.816 20.728 ( -0.539 -3.096 -3.837) 4.960 20.931 ( -0.130 0.064 -1.276) 1.284 20.939 ( 0.364 -0.352 -0.782) 0.931 21.379 ( 0.651 7.132 -1.582) 7.334 21.610 ( 0.973 0.669 2.501) 2.766 21.643 ( -4.245 0.926 -2.868) 5.206 21.686 ( 1.945 -3.527 -1.739) 4.387 21.759 ( 1.908 0.560 -2.072) 2.872 21.803 ( 2.859 1.352 -1.268) 3.407 21.929 ( 2.109 2.194 4.677) 5.580 22.093 ( 1.804 -1.431 -5.054) 5.554 24.634 ( 0.286 0.802 2.926) 3.047 24.706 ( -0.638 -0.836 2.859) 3.046 24.798 ( -0.443 0.433 1.425) 1.553 24.881 ( -1.896 1.167 0.551) 2.294 24.914 ( 0.485 -1.455 0.909) 1.783 24.978 ( 0.667 -1.310 1.032) 1.796 25.054 ( 0.911 2.226 2.242) 3.288 25.135 ( -0.121 -0.521 -0.039) 0.536 28.813 ( -1.590 0.247 -0.640) 1.732 28.827 ( 0.669 -0.057 -0.429) 0.796 28.858 ( 0.381 0.522 -0.484) 0.808 28.896 ( 0.277 -0.398 -0.776) 0.915 29.094 ( 0.513 0.201 -0.411) 0.687 29.116 ( 0.108 -0.441 -0.428) 0.624 29.182 ( 0.201 0.607 -1.144) 1.310 29.220 ( 0.249 -0.399 -1.380) 1.458 34.853 ( -0.867 1.547 1.830) 2.548 34.898 ( -0.653 1.425 -1.214) 1.983 34.990 ( -4.681 -0.730 0.355) 4.751 35.139 ( 2.321 -6.404 4.251) 8.029 35.248 ( -13.711 0.393 -6.036) 14.985 35.394 ( -17.591 -4.121 -28.978) 34.148 35.668 ( 11.047 15.545 9.188) 21.168 37.003 ( -19.883 -20.931 16.203) 33.105 37.984 ( 1.444 1.262 -0.163) 1.925 38.066 ( -3.335 2.087 1.173) 4.105 38.101 ( 2.810 -0.347 2.647) 3.876 38.257 ( -0.026 1.197 0.130) 1.205 38.336 ( 2.211 -6.801 1.785) 7.371 38.509 ( 0.051 -5.528 2.598) 6.109 38.641 ( 1.363 -0.252 0.130) 1.392 38.910 ( 1.583 -8.421 -1.890) 8.775 39.315 ( -1.271 1.479 -3.483) 3.992 39.425 ( 7.325 2.549 -2.853) 8.264 39.487 ( 1.268 -3.912 0.310) 4.124 39.571 ( -1.448 -0.561 -1.665) 2.277 39.676 ( 1.353 -0.717 -1.522) 2.159 39.724 ( 0.571 -0.093 -0.532) 0.786 39.861 ( -3.254 4.291 -1.415) 5.568 39.958 ( -13.517 -0.023 2.850) 13.815 40.846 ( -0.786 3.333 4.841) 5.930 40.912 ( 0.539 0.244 5.962) 5.991 41.223 ( 4.413 -3.431 1.808) 5.875 41.304 ( -6.386 -6.254 4.783) 10.138 41.638 ( 14.934 12.756 -4.645) 20.182 41.813 ( -12.552 18.790 2.970) 22.791 42.607 ( 24.496 -13.757 -23.498) 36.625 43.266 ( -3.412 -25.528 -3.890) 26.047 ======================= Grid point 32 (17/57) ======================= q-point: (-0.25 0.20 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.263 ( -30.701 17.840 14.760) 38.454 1.477 ( -24.370 38.300 14.195) 47.563 2.372 ( -58.301 25.254 30.870) 70.638 2.538 ( -9.320 -20.482 11.784) 25.402 2.791 ( 21.347 18.161 14.909) 31.746 2.949 ( 17.335 5.555 6.690) 19.394 2.989 ( -12.215 -8.661 7.150) 16.593 3.205 ( 5.020 10.298 6.266) 13.057 3.397 ( -3.837 -9.474 4.813) 11.298 3.614 ( -4.022 -3.080 2.461) 5.632 3.796 ( -2.579 -1.860 4.258) 5.315 3.900 ( -0.738 -2.254 0.439) 2.412 3.933 ( 2.456 0.528 -5.418) 5.972 4.025 ( 2.071 5.860 5.858) 8.541 4.195 ( 0.041 8.066 0.011) 8.066 4.347 ( 0.589 -8.094 5.132) 9.602 4.422 ( 0.600 9.442 -1.430) 9.568 4.526 ( -2.711 -4.727 7.707) 9.439 4.692 ( 1.837 -6.445 2.338) 7.098 4.761 ( 4.211 -8.605 5.057) 10.833 4.840 ( -0.416 6.573 2.815) 7.162 4.922 ( -2.528 -6.562 1.341) 7.159 4.929 ( -2.843 0.702 3.685) 4.707 5.052 ( 4.167 -2.697 2.075) 5.380 5.183 ( -2.499 -3.927 2.053) 5.087 5.211 ( -7.737 -14.917 2.508) 16.991 5.310 ( 1.414 -0.329 6.456) 6.617 5.441 ( -7.332 -1.115 -4.798) 8.833 5.463 ( -7.398 -6.646 -2.856) 10.346 5.506 ( -1.734 -3.207 7.995) 8.787 5.594 ( 0.112 -0.823 0.992) 1.294 5.639 ( -0.204 -3.546 6.762) 7.638 5.735 ( 5.613 -1.915 7.106) 9.256 5.793 ( -2.107 -8.016 2.601) 8.687 5.827 ( -0.441 1.032 -1.095) 1.568 5.908 ( 0.678 -0.126 6.155) 6.194 5.933 ( 3.226 -0.361 4.706) 5.717 5.991 ( 4.894 -6.004 -4.541) 8.979 6.136 ( -0.196 -1.804 -5.111) 5.424 6.185 ( 3.409 -7.714 2.736) 8.866 6.236 ( 4.247 -4.118 0.253) 5.921 6.378 ( 4.041 0.778 0.066) 4.115 6.419 ( -1.876 3.355 3.421) 5.146 6.518 ( 5.736 0.333 1.914) 6.056 6.551 ( -7.472 -4.344 1.239) 8.732 6.646 ( 0.461 -2.936 1.426) 3.296 6.719 ( 5.227 1.570 4.177) 6.873 6.760 ( 0.648 2.550 4.652) 5.344 6.843 ( -3.288 -1.834 -0.806) 3.850 6.884 ( 0.269 -0.547 2.972) 3.034 6.981 ( 7.981 -3.465 5.823) 10.469 7.061 ( -0.941 -7.467 2.510) 7.934 7.109 ( 2.731 1.107 -2.343) 3.765 7.159 ( 4.444 1.348 -1.407) 4.852 7.228 ( -6.002 2.261 -5.560) 8.488 7.243 ( -8.432 1.682 -3.766) 9.387 7.347 ( -1.864 0.721 -1.849) 2.723 7.494 ( 3.064 -3.224 8.948) 9.992 7.648 ( -1.496 0.104 1.582) 2.180 7.729 ( 3.964 7.339 -2.756) 8.785 7.762 ( 3.139 -3.516 -1.754) 5.029 7.822 ( 4.592 6.163 1.790) 7.891 7.892 ( 5.536 8.114 2.517) 10.139 7.953 ( 7.006 0.614 4.500) 8.349 8.038 ( 5.040 -2.394 3.526) 6.600 8.107 ( -1.084 2.153 3.024) 3.867 8.211 ( -4.375 0.422 -1.629) 4.688 8.282 ( -1.250 6.898 -4.110) 8.126 8.365 ( 6.282 1.582 2.354) 6.893 8.400 ( -0.641 8.482 4.301) 9.532 8.535 ( 1.792 4.333 -4.316) 6.372 8.617 ( 5.421 2.531 1.658) 6.208 8.638 ( 0.958 -2.820 -1.629) 3.395 8.812 ( -0.198 1.534 0.464) 1.615 8.860 ( -0.918 3.684 -5.291) 6.512 8.897 ( 0.603 -0.359 -2.864) 2.949 8.928 ( -2.217 3.166 -2.178) 4.437 9.018 ( -0.519 1.083 0.372) 1.257 9.020 ( -4.775 1.964 6.820) 8.554 9.131 ( -2.743 0.236 -1.532) 3.150 9.197 ( -0.327 -2.907 1.789) 3.428 9.232 ( -0.261 -0.848 -0.311) 0.940 9.280 ( 5.344 1.135 -2.985) 6.225 9.353 ( -3.835 -1.385 1.864) 4.483 9.405 ( -1.818 -6.982 1.244) 7.321 9.480 ( 7.244 8.329 -4.421) 11.891 9.496 ( -2.819 2.658 1.327) 4.095 9.624 ( -2.008 1.609 0.250) 2.586 9.777 ( 2.500 -1.506 1.927) 3.498 9.862 ( -0.180 -2.548 4.016) 4.759 9.933 ( 1.490 -1.913 -2.359) 3.383 10.022 ( -0.714 -2.359 -0.755) 2.578 10.039 ( 2.319 4.372 -0.698) 4.998 10.180 ( -1.963 6.941 0.740) 7.251 10.258 ( 5.311 3.075 -5.004) 7.919 10.353 ( 4.959 -0.339 -3.606) 6.141 10.515 ( 5.424 2.790 0.057) 6.099 10.563 ( 3.883 0.964 5.505) 6.805 10.773 ( 2.327 0.247 2.778) 3.632 10.835 ( -1.995 1.156 -4.245) 4.831 10.920 ( 3.563 1.069 -3.751) 5.283 11.018 ( 0.317 -2.637 -0.528) 2.708 11.138 ( -5.870 -4.222 -0.185) 7.233 11.152 ( -3.234 -5.526 1.650) 6.612 11.226 ( -6.316 -1.179 -0.320) 6.433 11.278 ( -8.598 -3.832 -8.476) 12.667 11.386 ( -6.983 -3.508 -3.607) 8.606 11.495 ( -7.241 -1.841 1.426) 7.607 11.796 ( -4.419 2.028 5.287) 7.183 11.806 ( -3.609 0.252 -1.031) 3.762 11.896 ( 0.293 1.973 -5.351) 5.711 12.012 ( 0.690 6.129 -2.159) 6.535 12.062 ( -2.587 -0.542 0.169) 2.648 12.292 ( 2.504 -3.691 5.298) 6.925 12.363 ( 2.104 3.242 -6.122) 7.240 12.537 ( 0.946 6.716 -4.872) 8.351 12.800 ( -2.856 -0.541 2.053) 3.559 12.914 ( 3.839 -4.557 -0.032) 5.959 13.009 ( -0.599 -0.808 -4.488) 4.600 13.295 ( 0.885 -11.900 2.865) 12.272 13.534 ( 0.513 0.938 -1.637) 1.956 13.563 ( -0.580 0.863 -2.075) 2.321 13.724 ( -2.369 1.282 -4.056) 4.869 13.783 ( -7.935 0.929 -0.593) 8.012 13.840 ( 0.488 0.359 -4.734) 4.773 13.895 ( 2.239 -1.960 1.410) 3.293 14.097 ( 1.104 1.685 0.261) 2.031 14.241 ( 2.044 -0.709 -3.368) 4.003 14.313 ( 1.263 -0.306 1.551) 2.024 14.364 ( 0.102 -0.739 -0.596) 0.955 14.412 ( -0.234 -0.274 0.310) 0.475 14.438 ( 0.060 -0.399 -1.275) 1.338 14.533 ( 0.612 -0.721 2.679) 2.841 14.583 ( -0.280 -0.325 1.573) 1.630 14.793 ( 0.756 2.433 5.178) 5.771 14.840 ( -0.117 -0.609 9.260) 9.280 17.760 ( 1.408 -0.647 2.030) 2.554 17.772 ( -2.816 -0.815 -1.137) 3.144 17.883 ( -1.689 1.044 0.501) 2.047 17.902 ( 0.175 0.038 1.933) 1.941 18.021 ( -0.835 -0.123 1.553) 1.768 18.027 ( -0.162 -0.248 2.216) 2.235 18.141 ( -1.135 0.995 0.052) 1.510 18.253 ( -0.047 -1.715 -1.016) 1.994 18.285 ( 0.760 0.249 0.836) 1.157 18.364 ( 0.534 -3.107 -1.138) 3.352 18.489 ( 1.813 1.902 -0.263) 2.641 18.604 ( 0.449 -2.855 -3.938) 4.885 18.952 ( -1.497 1.165 0.400) 1.939 19.137 ( -0.364 -5.172 0.447) 5.204 19.282 ( 0.006 2.826 -0.399) 2.854 19.327 ( 1.155 2.340 -1.526) 3.023 20.017 ( -0.434 8.903 -0.439) 8.924 20.141 ( 7.851 12.784 -5.160) 15.865 20.401 ( -0.976 -1.944 -6.580) 6.930 20.597 ( 0.067 2.456 0.036) 2.457 20.679 ( 0.719 -5.140 -5.622) 7.651 20.703 ( -0.063 -1.167 -0.767) 1.398 20.927 ( 0.294 0.243 -1.100) 1.164 20.942 ( 0.201 0.155 -0.840) 0.877 21.415 ( 3.367 8.791 -3.521) 10.050 21.564 ( -2.157 1.753 -1.677) 3.246 21.630 ( 0.103 0.108 -0.058) 0.160 21.722 ( 3.178 -1.169 -2.905) 4.461 21.815 ( 3.068 -1.317 0.166) 3.343 21.867 ( 2.797 -0.982 -1.799) 3.467 22.042 ( 7.297 4.181 1.406) 8.527 22.115 ( 2.396 1.238 -6.029) 6.605 24.632 ( -1.777 0.874 3.005) 3.599 24.721 ( 0.800 -1.404 3.037) 3.440 24.797 ( 0.096 1.079 0.975) 1.458 24.843 ( -1.805 0.799 0.637) 2.074 24.928 ( 0.538 -0.406 0.162) 0.693 24.994 ( 0.394 -2.068 1.030) 2.344 25.092 ( 1.133 0.723 2.886) 3.184 25.127 ( -0.547 -0.317 0.142) 0.648 28.767 ( -1.907 0.578 -0.271) 2.011 28.828 ( -0.337 -0.991 -0.868) 1.360 28.868 ( 0.596 0.855 -0.410) 1.120 28.897 ( 0.106 -0.142 -0.863) 0.881 29.111 ( 1.003 0.116 -0.185) 1.027 29.117 ( 0.055 -0.175 -0.587) 0.615 29.182 ( 0.293 0.501 -1.146) 1.284 29.220 ( 0.275 -0.449 -1.363) 1.461 34.840 ( -1.168 0.117 3.673) 3.856 34.855 ( -2.695 -0.152 1.857) 3.276 34.918 ( -7.290 0.932 -2.632) 7.806 34.960 ( -0.491 1.606 -1.197) 2.062 34.991 ( -6.470 -0.348 -1.262) 6.601 35.228 ( 0.532 -6.212 3.707) 7.254 35.849 ( 4.524 11.516 1.094) 12.421 36.605 ( -22.986 -9.178 8.364) 26.126 37.995 ( -2.063 1.020 1.639) 2.826 38.022 ( 0.521 2.456 1.839) 3.112 38.145 ( -0.185 -1.166 2.361) 2.640 38.266 ( 0.363 0.817 0.112) 0.901 38.330 ( -3.009 -9.721 1.861) 10.344 38.524 ( -0.010 -3.682 2.235) 4.307 38.614 ( -2.755 2.885 1.245) 4.179 38.972 ( 3.030 -9.127 -0.314) 9.622 39.236 ( -2.793 3.222 -4.708) 6.352 39.368 ( -5.048 2.400 -3.569) 6.632 39.576 ( -0.714 -4.641 0.683) 4.745 39.603 ( 5.317 -2.277 0.223) 5.789 39.727 ( -4.624 0.505 -0.418) 4.671 39.829 ( 10.101 1.513 1.125) 10.276 39.868 ( 11.546 2.686 -3.478) 12.354 39.977 ( 15.871 0.111 -1.989) 15.996 40.759 ( -6.577 5.400 1.876) 8.714 40.947 ( -1.424 -0.691 7.194) 7.366 41.144 ( -9.262 -1.344 2.952) 9.814 41.314 ( 0.474 -3.058 2.992) 4.305 41.524 ( -11.579 8.803 3.051) 14.862 41.918 ( 10.860 16.903 -2.350) 20.228 42.826 ( -12.282 -26.839 -11.346) 31.621 43.005 ( -6.628 -24.525 -12.375) 28.258 ======================= Grid point 33 (18/57) ======================= q-point: ( 0.00 0.40 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 91 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.683 ( -14.708 27.087 27.721) 41.455 1.843 ( 20.703 26.559 35.756) 49.117 2.161 ( -5.157 -23.086 28.272) 36.863 2.380 ( 15.044 -28.826 25.116) 41.086 2.845 ( 4.107 57.016 19.785) 60.491 3.283 ( 0.888 7.772 4.895) 9.228 3.363 ( 1.463 0.907 4.287) 4.620 3.497 ( -4.051 6.527 5.743) 9.591 3.512 ( -1.567 5.718 6.565) 8.846 3.642 ( 0.965 3.058 7.976) 8.597 3.730 ( 4.543 1.516 7.285) 8.718 3.849 ( 4.095 -20.548 2.674) 21.122 3.900 ( -2.652 -0.796 -0.420) 2.800 4.003 ( -4.142 -11.625 1.786) 12.470 4.169 ( -8.768 -4.055 -2.436) 9.963 4.264 ( 1.321 -0.471 1.879) 2.345 4.379 ( -8.867 -12.803 -2.344) 15.749 4.476 ( 4.405 5.597 0.061) 7.123 4.558 ( 6.104 -5.682 6.309) 10.457 4.618 ( 1.241 1.263 3.964) 4.341 4.711 ( 8.084 -16.743 7.287) 19.970 4.770 ( 0.802 -7.593 6.126) 9.789 4.877 ( -5.755 3.078 2.984) 7.176 4.961 ( -4.284 -5.140 4.622) 8.133 5.143 ( 0.499 5.229 3.022) 6.060 5.192 ( 4.281 3.061 3.552) 6.349 5.247 ( -6.966 4.275 -0.178) 8.175 5.315 ( -6.594 -0.596 -1.192) 6.727 5.412 ( 2.154 1.266 2.410) 3.472 5.439 ( 0.705 -1.579 1.746) 2.457 5.521 ( 0.544 -3.945 -1.150) 4.145 5.548 ( 2.355 -5.142 1.149) 5.772 5.727 ( -3.262 -0.866 0.236) 3.383 5.745 ( -1.943 -2.145 -0.260) 2.906 5.791 ( -0.390 2.189 2.229) 3.148 5.879 ( -3.612 -5.352 -2.786) 7.032 5.961 ( 2.060 5.164 -2.330) 6.028 6.034 ( -1.989 -3.436 -4.268) 5.829 6.042 ( 1.060 0.706 1.380) 1.878 6.102 ( -0.308 -4.904 1.263) 5.074 6.257 ( -1.874 0.500 1.107) 2.234 6.299 ( 0.028 -3.087 1.512) 3.438 6.437 ( -7.328 3.878 -0.551) 8.309 6.495 ( -4.113 -1.857 -0.313) 4.524 6.542 ( -0.317 0.631 2.304) 2.410 6.576 ( -8.830 -2.424 -4.705) 10.295 6.635 ( -1.987 2.291 -2.982) 4.253 6.670 ( -5.410 -1.243 -5.679) 7.941 6.882 ( -4.210 4.229 2.940) 6.652 6.933 ( -1.922 -0.624 5.415) 5.779 7.009 ( -2.294 2.507 -0.380) 3.419 7.045 ( -2.220 0.374 4.621) 5.141 7.074 ( -1.613 -3.635 -4.833) 6.259 7.086 ( -0.948 -3.907 3.810) 5.539 7.309 ( 3.911 3.185 1.253) 5.197 7.346 ( 3.683 -0.416 -1.124) 3.873 7.434 ( 0.759 3.415 0.523) 3.537 7.474 ( -1.060 1.364 3.115) 3.562 7.600 ( -0.642 1.450 0.820) 1.785 7.680 ( 0.215 -8.261 2.691) 8.691 7.827 ( -1.444 4.406 -0.439) 4.658 7.902 ( -4.351 -2.415 0.280) 4.984 7.965 ( -1.332 2.999 2.267) 3.988 8.038 ( 2.188 -1.943 2.150) 3.631 8.185 ( 2.331 3.390 4.352) 5.989 8.270 ( -0.125 9.850 -5.619) 11.341 8.287 ( -2.931 -3.478 4.219) 6.204 8.336 ( -0.773 4.164 -2.919) 5.143 8.464 ( -2.593 -0.126 1.026) 2.792 8.514 ( 0.873 -3.144 -0.129) 3.265 8.596 ( 1.020 4.493 -0.475) 4.632 8.650 ( 0.997 13.361 -1.628) 13.496 8.664 ( 1.730 2.085 -2.039) 3.391 8.790 ( -1.175 -0.656 -7.509) 7.629 8.833 ( -1.489 -3.039 -3.615) 4.952 8.882 ( 3.471 0.021 -1.702) 3.866 8.944 ( -3.656 0.566 2.316) 4.365 8.993 ( -0.671 -1.221 3.487) 3.755 9.048 ( 3.314 1.946 -1.625) 4.173 9.087 ( 2.008 0.154 -0.286) 2.034 9.113 ( -1.694 -2.800 0.961) 3.411 9.180 ( -0.795 -5.261 1.163) 5.446 9.303 ( 1.442 3.101 2.026) 3.975 9.379 ( 1.926 -3.568 4.646) 6.167 9.441 ( 7.093 3.769 -2.043) 8.288 9.486 ( 3.707 0.445 -1.685) 4.096 9.566 ( -2.093 -1.868 1.652) 3.256 9.611 ( 3.987 -5.574 -5.391) 8.719 9.817 ( -0.661 1.763 4.521) 4.898 9.849 ( -1.154 -2.270 4.988) 5.600 9.962 ( 4.057 0.163 -1.582) 4.357 9.981 ( 1.190 -1.837 -0.586) 2.266 10.141 ( -0.880 4.571 -0.168) 4.658 10.197 ( -2.225 0.821 1.738) 2.940 10.313 ( -2.520 -0.115 -0.984) 2.707 10.365 ( -3.914 -2.203 -2.047) 4.936 10.573 ( 1.672 7.502 -0.764) 7.724 10.751 ( -1.762 -8.952 -2.087) 9.360 10.827 ( 2.487 2.706 0.285) 3.686 10.887 ( 5.426 -2.582 -5.572) 8.195 10.945 ( -0.969 2.867 -3.543) 4.660 10.990 ( -5.333 1.041 -1.259) 5.577 11.029 ( -1.030 -1.142 -3.092) 3.453 11.062 ( 1.598 -0.499 -1.735) 2.411 11.130 ( -2.204 -0.339 0.684) 2.333 11.165 ( 3.828 -1.401 2.664) 4.869 11.257 ( 7.738 0.322 -1.251) 7.845 11.306 ( 2.036 -4.548 0.718) 5.034 11.775 ( 0.067 1.250 2.679) 2.957 11.790 ( -0.965 -0.219 4.833) 4.933 11.948 ( 1.628 3.605 -3.389) 5.209 12.013 ( 0.888 -3.066 -1.068) 3.366 12.183 ( 3.068 6.474 2.566) 7.610 12.279 ( 1.362 -3.928 6.942) 8.092 12.490 ( 0.147 6.647 -3.233) 7.393 12.630 ( -5.638 -7.222 2.390) 9.469 12.691 ( 3.115 4.457 -1.435) 5.624 12.774 ( -1.877 -3.604 0.447) 4.088 13.086 ( 2.336 3.537 -1.541) 4.510 13.148 ( -0.644 -2.700 -1.765) 3.289 13.569 ( 0.492 0.547 -0.035) 0.737 13.578 ( 0.711 -0.506 0.117) 0.881 13.698 ( 2.040 2.303 -1.063) 3.255 13.726 ( 1.785 -0.472 -0.105) 1.849 13.890 ( 2.554 0.892 -1.467) 3.078 13.908 ( 2.455 -0.915 -0.722) 2.718 14.140 ( -0.922 2.508 -2.370) 3.572 14.189 ( -1.673 -1.999 -5.923) 6.471 14.270 ( -3.491 -0.341 -2.055) 4.065 14.285 ( -2.379 -1.532 -1.453) 3.181 14.370 ( -3.258 1.155 -2.781) 4.437 14.393 ( -3.512 -1.143 -4.109) 5.525 14.534 ( -1.792 0.500 1.454) 2.361 14.545 ( -1.716 -0.565 0.563) 1.893 14.812 ( -2.906 1.229 4.186) 5.242 14.830 ( -2.667 -0.923 5.808) 6.457 17.820 ( 3.673 0.217 5.513) 6.628 17.829 ( 3.544 -0.743 5.072) 6.232 17.903 ( 0.280 0.029 3.425) 3.437 17.912 ( -0.457 -1.010 3.171) 3.360 18.030 ( 2.150 1.025 2.707) 3.606 18.048 ( 2.919 -1.195 3.963) 5.065 18.171 ( -0.129 1.277 0.258) 1.310 18.206 ( -0.703 -2.322 -1.384) 2.794 18.291 ( -0.688 1.351 -0.986) 1.809 18.321 ( 0.086 -1.956 -0.822) 2.124 18.499 ( -2.661 1.550 -2.993) 4.295 18.529 ( -2.127 -1.815 -4.729) 5.493 18.983 ( 0.350 2.888 0.769) 3.009 19.046 ( 0.010 -3.987 0.612) 4.034 19.327 ( 0.172 1.951 -0.960) 2.181 19.347 ( 0.186 -0.150 -1.454) 1.473 20.158 ( -0.163 8.625 -2.345) 8.940 20.291 ( -0.496 -5.521 -3.518) 6.566 20.434 ( 3.911 6.614 -7.271) 10.579 20.550 ( 1.937 -6.455 -4.904) 8.335 20.647 ( 0.095 2.352 0.060) 2.354 20.686 ( 0.426 -1.887 -0.073) 1.936 20.941 ( 0.322 0.346 -0.734) 0.873 20.944 ( 0.077 0.115 -1.098) 1.106 21.546 ( 0.254 2.643 -5.851) 6.426 21.563 ( 0.632 0.245 -2.498) 2.588 21.676 ( 1.368 2.036 -0.694) 2.549 21.724 ( -0.113 -2.985 -2.053) 3.624 21.845 ( 2.027 2.238 -1.116) 3.219 21.882 ( 2.268 -1.711 -0.195) 2.847 22.108 ( -6.275 2.615 -12.784) 14.479 22.126 ( -2.873 0.352 -11.224) 11.591 24.638 ( -1.149 1.891 3.108) 3.815 24.679 ( -1.422 -2.557 3.405) 4.490 24.836 ( -0.542 1.032 0.979) 1.522 24.842 ( 1.094 0.347 1.246) 1.694 24.937 ( 0.229 0.028 0.227) 0.324 24.949 ( -1.129 -1.426 0.687) 1.944 25.098 ( -1.078 1.151 0.875) 1.804 25.116 ( -0.302 -0.795 0.765) 1.144 28.770 ( 0.639 1.243 0.286) 1.426 28.796 ( 0.603 -1.573 0.028) 1.685 28.883 ( -0.172 0.453 -0.734) 0.879 28.890 ( -0.075 -0.307 -0.850) 0.906 29.118 ( -0.207 0.337 -0.672) 0.780 29.123 ( 0.020 -0.187 -0.484) 0.519 29.195 ( 0.328 0.790 -1.059) 1.362 29.210 ( 0.342 -0.742 -1.171) 1.428 34.846 ( -0.062 1.592 3.079) 3.467 34.878 ( 0.937 -1.807 4.404) 4.851 35.024 ( 0.197 4.370 -1.832) 4.743 35.092 ( 11.480 2.897 10.967) 16.139 35.128 ( 4.413 -1.331 5.369) 7.076 35.309 ( 37.106 -17.242 29.239) 50.290 35.961 ( -9.483 6.280 -5.196) 12.504 36.074 ( -16.513 -5.894 -1.964) 17.643 37.972 ( -1.752 0.265 2.447) 3.021 37.986 ( -4.238 -1.360 4.037) 6.009 38.163 ( 1.980 2.336 2.737) 4.108 38.200 ( -0.103 -1.684 2.897) 3.352 38.339 ( -0.618 4.080 0.689) 4.183 38.428 ( -1.518 -5.164 0.660) 5.423 38.674 ( -0.920 6.932 1.067) 7.073 38.826 ( -0.353 -9.479 0.222) 9.488 39.271 ( 0.553 4.885 -6.157) 7.879 39.332 ( 0.252 -0.302 -7.027) 7.038 39.478 ( -1.831 -0.574 -1.057) 2.191 39.526 ( -1.228 -4.360 -1.829) 4.885 39.779 ( 0.520 4.379 2.505) 5.071 39.874 ( 0.437 -5.815 1.597) 6.046 40.227 ( 7.755 2.403 1.483) 8.253 40.262 ( 7.335 -1.866 3.066) 8.166 40.910 ( 10.916 1.458 -4.317) 11.829 40.928 ( 8.206 -0.435 -2.968) 8.737 41.081 ( -4.840 4.211 3.244) 7.188 41.169 ( -11.659 -5.637 5.261) 13.978 41.452 ( -7.601 7.279 1.379) 10.615 41.609 ( -20.933 -9.763 3.830) 23.414 42.441 ( 4.467 21.708 -3.429) 22.427 42.824 ( 6.713 -19.750 -5.260) 21.513 ======================= Grid point 34 (19/57) ======================= q-point: ( 0.25 0.40 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.855 ( 19.607 22.133 18.943) 35.116 2.251 ( 14.904 -14.500 16.245) 26.387 2.443 ( 15.330 28.554 17.134) 36.659 2.964 ( 16.308 -21.547 17.714) 32.312 3.012 ( -20.436 20.958 0.133) 29.273 3.171 ( -23.923 7.098 3.948) 25.265 3.248 ( -18.224 -4.558 -4.441) 19.303 3.438 ( 13.894 7.152 15.528) 22.030 3.528 ( 14.366 11.491 19.772) 27.007 3.652 ( -0.170 3.818 7.876) 8.754 3.766 ( -6.023 -5.971 1.564) 8.624 3.814 ( -1.094 -3.071 -2.118) 3.888 3.900 ( 0.210 -0.797 -7.537) 7.582 3.993 ( 0.964 5.547 3.341) 6.547 4.122 ( 15.410 -14.753 6.658) 22.349 4.280 ( 4.042 -12.608 3.103) 13.599 4.465 ( 5.207 0.832 9.253) 10.650 4.504 ( 2.947 2.061 4.980) 6.143 4.608 ( -4.266 1.314 5.849) 7.358 4.698 ( -5.684 -8.923 6.630) 12.485 4.845 ( 6.965 -0.308 5.816) 9.079 4.871 ( 5.983 4.610 5.381) 9.273 4.926 ( 5.013 -5.957 4.836) 9.165 5.007 ( 1.148 3.438 6.517) 7.457 5.039 ( -2.895 -5.716 4.930) 8.085 5.157 ( -8.571 -5.424 3.749) 10.814 5.214 ( -4.914 9.040 3.559) 10.888 5.314 ( -18.041 0.715 2.236) 18.193 5.336 ( 2.117 -1.224 4.341) 4.982 5.410 ( 2.846 -5.451 2.386) 6.596 5.541 ( 2.480 0.479 4.105) 4.820 5.607 ( -0.570 -4.891 -0.470) 4.947 5.626 ( -5.444 -1.688 1.089) 5.803 5.709 ( -0.591 -0.891 -0.283) 1.106 5.794 ( -2.998 0.137 -5.322) 6.110 5.838 ( -3.270 1.488 -2.259) 4.243 5.889 ( -2.794 -2.259 1.760) 4.001 5.918 ( -2.706 0.573 -1.028) 2.951 6.018 ( -2.883 -1.601 -1.969) 3.841 6.070 ( 2.255 -1.837 -3.077) 4.235 6.200 ( -2.209 -0.203 -2.724) 3.513 6.262 ( -2.766 -6.742 -3.332) 8.013 6.326 ( 0.326 0.054 0.364) 0.491 6.413 ( 0.926 -6.514 -1.952) 6.863 6.475 ( -2.384 1.203 5.269) 5.907 6.500 ( -3.059 -0.247 5.597) 6.383 6.635 ( 1.854 0.313 -0.171) 1.888 6.651 ( -1.703 -0.292 -2.146) 2.756 6.829 ( 0.267 2.998 2.452) 3.882 6.886 ( -3.813 1.152 -4.327) 5.882 6.902 ( -3.468 -2.156 -4.204) 5.861 6.919 ( -3.484 -2.408 1.110) 4.378 7.028 ( -3.074 1.524 -0.014) 3.431 7.087 ( -1.237 -4.476 3.744) 5.965 7.268 ( -3.598 1.996 -1.664) 4.438 7.307 ( -1.846 -1.571 2.089) 3.200 7.491 ( -1.692 3.055 -0.351) 3.510 7.550 ( 3.248 1.018 1.880) 3.888 7.585 ( -0.763 2.164 1.453) 2.716 7.673 ( -2.758 -4.865 5.024) 7.518 7.770 ( -5.271 1.898 1.651) 5.840 7.815 ( -0.284 -3.395 4.655) 5.768 7.928 ( -5.075 1.469 1.279) 5.436 7.984 ( -8.410 -3.019 0.758) 8.968 8.151 ( -1.355 3.508 3.145) 4.902 8.190 ( 2.473 2.360 4.273) 5.472 8.260 ( -2.140 8.891 -2.976) 9.617 8.339 ( -1.947 1.213 -1.364) 2.669 8.470 ( 0.711 3.244 1.461) 3.629 8.507 ( 1.358 -0.851 -1.380) 2.115 8.613 ( 1.747 5.825 -1.067) 6.175 8.653 ( -1.180 8.805 -6.865) 11.227 8.741 ( 2.005 -0.398 -0.817) 2.201 8.780 ( 4.181 5.143 -5.550) 8.645 8.820 ( 1.706 -2.259 -5.035) 5.776 8.858 ( -0.385 7.234 2.178) 7.565 8.945 ( 0.724 -7.394 -0.496) 7.446 9.013 ( 1.005 -3.442 -1.481) 3.879 9.111 ( 3.380 1.605 -1.519) 4.038 9.122 ( 2.376 1.213 -0.659) 2.748 9.148 ( 2.182 -2.318 -1.672) 3.596 9.180 ( 0.116 -4.758 -0.683) 4.808 9.335 ( 0.090 2.701 3.140) 4.143 9.402 ( -0.843 -1.173 4.010) 4.262 9.490 ( -3.425 2.059 4.420) 5.958 9.550 ( -2.058 -2.269 1.481) 3.403 9.595 ( 4.571 0.043 0.767) 4.635 9.656 ( -1.453 -4.317 2.260) 5.085 9.791 ( 0.535 9.869 -2.787) 10.269 9.868 ( 1.238 1.587 -2.839) 3.480 9.966 ( -1.262 -2.900 3.989) 5.091 9.986 ( -1.413 -4.164 -5.908) 7.365 10.092 ( -3.129 3.343 -1.534) 4.829 10.130 ( -2.125 -0.334 -4.785) 5.246 10.254 ( -0.550 -0.055 1.642) 1.732 10.314 ( -0.803 -5.612 3.610) 6.721 10.566 ( -1.718 9.679 0.244) 9.833 10.700 ( -2.004 1.362 -1.935) 3.100 10.736 ( -7.900 4.515 -2.536) 9.445 10.850 ( -0.893 -0.649 -0.489) 1.208 10.911 ( -1.641 -2.808 -2.048) 3.843 10.975 ( 2.054 2.613 -4.213) 5.366 10.994 ( 0.198 -8.007 4.162) 9.026 11.051 ( 2.264 -5.810 -0.578) 6.262 11.266 ( 5.185 0.605 -1.556) 5.447 11.310 ( 7.698 -3.319 -2.288) 8.690 11.428 ( 7.484 2.030 -2.879) 8.271 11.505 ( 10.638 -5.675 -5.483) 13.245 11.823 ( 2.108 1.204 5.939) 6.416 11.836 ( 2.906 -0.085 7.544) 8.085 11.985 ( 2.868 3.153 -4.174) 5.966 12.041 ( 1.566 -2.560 -2.227) 3.737 12.257 ( 1.085 5.222 3.971) 6.650 12.317 ( -1.279 0.115 7.458) 7.568 12.414 ( -7.619 1.004 -5.689) 9.561 12.489 ( -2.857 -5.226 -0.481) 5.975 12.787 ( 7.060 3.961 2.102) 8.364 12.826 ( 5.510 -0.200 2.508) 6.057 13.050 ( -7.629 2.431 -4.048) 8.972 13.080 ( -3.341 -1.243 -2.156) 4.166 13.532 ( -0.807 1.237 -1.450) 2.070 13.556 ( -1.354 -1.092 -1.487) 2.289 13.834 ( 6.114 3.081 -1.862) 7.095 13.874 ( 6.644 -0.405 -0.232) 6.660 13.939 ( 4.842 -0.833 -1.132) 5.042 13.942 ( 2.070 -0.969 -2.715) 3.549 14.121 ( 0.462 1.066 -4.799) 4.938 14.140 ( 0.438 -0.821 -5.089) 5.174 14.218 ( -2.817 0.217 -0.020) 2.826 14.230 ( -1.638 -0.930 0.886) 2.082 14.285 ( -2.779 1.754 -1.401) 3.573 14.331 ( 0.438 -3.402 2.071) 4.007 14.511 ( -0.685 -0.086 3.419) 3.488 14.516 ( -0.851 -0.422 2.400) 2.581 14.770 ( -2.334 1.502 4.163) 5.003 14.794 ( -2.659 -1.158 5.477) 6.198 17.830 ( -2.266 1.423 -0.931) 2.833 17.863 ( -1.641 -2.118 -0.470) 2.720 17.938 ( 1.672 0.835 5.636) 5.938 17.959 ( 1.148 -1.081 4.982) 5.226 18.101 ( 0.596 1.426 1.063) 1.876 18.122 ( -1.464 -1.526 -0.649) 2.212 18.167 ( -0.291 -1.247 -0.795) 1.507 18.168 ( 2.945 -1.161 3.435) 4.671 18.276 ( -0.855 1.605 -0.101) 1.821 18.317 ( -1.759 -2.795 -0.909) 3.425 18.441 ( 0.513 0.617 -2.067) 2.217 18.460 ( -1.430 -1.288 -4.126) 4.553 19.001 ( 0.627 2.491 1.207) 2.838 19.056 ( 0.486 -3.522 0.735) 3.631 19.327 ( 0.212 1.909 -0.900) 2.121 19.344 ( 0.163 0.180 -1.397) 1.418 20.154 ( 0.998 7.543 -2.655) 8.059 20.249 ( -1.729 -1.412 -3.229) 3.926 20.470 ( 2.005 5.734 -7.545) 9.686 20.577 ( 2.196 -5.106 -4.809) 7.349 20.644 ( -0.317 2.348 -0.074) 2.370 20.690 ( -0.056 -2.512 -0.603) 2.584 20.935 ( -0.305 0.220 -0.741) 0.831 20.939 ( -0.247 -0.148 -1.023) 1.063 21.516 ( -0.611 4.099 -5.173) 6.629 21.574 ( 0.706 -2.587 -2.709) 3.812 21.685 ( -2.241 0.669 0.251) 2.352 21.697 ( 0.801 -0.607 -0.504) 1.125 21.825 ( -5.238 4.805 -6.402) 9.566 21.858 ( -4.034 0.392 -3.868) 5.603 21.936 ( -0.109 3.808 0.254) 3.818 22.026 ( -0.351 -4.700 -5.300) 7.093 24.640 ( 0.010 1.679 2.823) 3.285 24.674 ( -0.320 -2.071 3.058) 3.707 24.828 ( -0.765 1.924 1.609) 2.622 24.865 ( 0.180 -1.866 1.806) 2.603 24.928 ( -0.825 0.773 0.510) 1.240 24.945 ( 0.435 -0.913 0.315) 1.060 25.086 ( -0.295 1.949 0.671) 2.082 25.115 ( 0.065 -1.275 0.453) 1.354 28.802 ( 1.787 0.894 0.227) 2.011 28.819 ( 1.109 -1.007 -0.110) 1.502 28.873 ( -0.350 0.642 -0.754) 1.050 28.884 ( -0.041 -0.606 -0.781) 0.990 29.105 ( -0.555 0.438 -0.714) 1.005 29.113 ( -0.488 -0.466 -0.619) 0.916 29.197 ( 0.222 0.832 -1.099) 1.396 29.211 ( 0.248 -0.691 -1.202) 1.408 34.876 ( 1.565 2.721 2.554) 4.047 34.933 ( 2.359 -3.503 3.779) 5.667 34.989 ( -1.838 3.311 -1.994) 4.280 35.056 ( -3.749 -3.625 -1.348) 5.387 35.633 ( 15.993 20.870 20.151) 33.127 35.670 ( -10.922 3.955 -10.887) 15.920 35.722 ( -14.048 -2.922 -13.391) 19.627 36.207 ( 27.131 -41.300 27.536) 56.569 37.965 ( 1.182 1.062 1.903) 2.479 37.989 ( 2.618 -1.499 1.933) 3.583 38.180 ( -2.513 1.819 2.431) 3.941 38.207 ( 0.155 -1.093 3.631) 3.795 38.317 ( -1.358 3.274 0.701) 3.613 38.392 ( -1.711 -4.849 1.054) 5.249 38.664 ( -0.180 6.065 0.968) 6.145 38.798 ( -2.106 -8.365 0.413) 8.636 39.296 ( 4.208 3.237 -5.231) 7.453 39.342 ( 3.486 -0.598 -6.194) 7.133 39.460 ( 0.852 1.280 -1.947) 2.481 39.520 ( 1.568 -3.971 -2.931) 5.178 39.754 ( -3.754 1.914 1.536) 4.485 39.797 ( -7.136 -2.580 0.097) 7.589 40.135 ( -13.031 3.781 3.778) 14.085 40.200 ( -12.966 -3.659 5.996) 14.747 40.879 ( -4.542 1.627 4.071) 6.313 40.897 ( -2.462 -0.671 3.587) 4.402 41.171 ( 4.197 4.584 2.891) 6.855 41.251 ( 2.711 -3.545 3.304) 5.553 41.540 ( 14.859 7.802 -6.057) 17.843 41.722 ( 30.640 -11.405 -14.856) 35.911 42.444 ( -3.422 23.143 -0.996) 23.416 42.876 ( -0.719 -23.428 -1.674) 23.499 ======================= Grid point 35 (20/57) ======================= q-point: (-0.50 0.40 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 91 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.318 ( -36.696 15.445 -7.114) 40.445 2.457 ( 27.906 13.059 10.558) 32.569 2.547 ( -26.200 9.843 0.123) 27.989 2.681 ( -25.697 3.019 1.200) 25.902 2.719 ( 18.483 -4.472 8.500) 20.830 2.855 ( 16.450 26.081 9.787) 32.351 3.213 ( -19.721 -23.277 6.677) 31.230 3.400 ( 8.546 -21.526 9.219) 24.928 3.501 ( -8.850 7.189 -10.813) 15.714 3.624 ( -5.009 -5.975 -11.572) 13.953 3.724 ( 3.172 5.987 2.863) 7.355 3.838 ( -10.598 -6.549 5.104) 13.463 4.065 ( 4.093 12.783 1.410) 13.496 4.165 ( -23.103 13.773 8.176) 28.112 4.273 ( 3.937 -2.984 6.168) 7.903 4.399 ( -1.709 0.571 8.564) 8.751 4.433 ( -1.182 -2.460 6.295) 6.862 4.552 ( -4.803 -6.840 7.276) 11.081 4.577 ( -10.222 7.227 3.580) 13.021 4.701 ( 0.732 4.991 5.616) 7.549 4.814 ( 2.712 -10.909 1.800) 11.384 4.866 ( -14.393 -5.332 5.506) 16.306 4.959 ( 1.755 1.048 4.567) 5.004 4.989 ( 7.978 2.674 4.436) 9.512 4.999 ( 6.924 3.400 12.900) 15.030 5.151 ( 0.702 1.172 6.862) 6.996 5.179 ( 6.366 -4.815 13.819) 15.959 5.295 ( 2.504 -11.033 6.359) 12.979 5.395 ( 4.030 2.726 6.601) 8.200 5.509 ( 0.306 -6.021 1.266) 6.160 5.537 ( -3.787 -4.486 3.890) 7.043 5.555 ( -0.916 -4.030 2.140) 4.654 5.596 ( 4.938 -0.181 4.943) 6.989 5.702 ( 0.842 -8.499 -1.007) 8.600 5.760 ( -0.511 5.734 0.251) 5.762 5.843 ( -0.705 0.653 3.443) 3.575 5.873 ( 3.182 1.096 -2.282) 4.066 5.937 ( 2.569 0.830 -3.287) 4.254 6.031 ( -0.314 -0.923 1.348) 1.664 6.117 ( 1.241 -4.010 -4.263) 5.983 6.230 ( 5.514 -1.757 -0.069) 5.787 6.257 ( 8.498 -3.981 1.897) 9.574 6.308 ( -0.271 -3.185 1.581) 3.566 6.360 ( -1.125 -6.113 -0.357) 6.226 6.517 ( 2.904 0.890 5.919) 6.653 6.532 ( 2.386 0.855 3.345) 4.197 6.634 ( 0.409 -0.893 6.277) 6.353 6.648 ( -0.613 -1.166 3.329) 3.581 6.847 ( 1.685 2.079 -0.094) 2.678 6.867 ( -0.060 1.581 0.662) 1.715 6.898 ( 0.125 -0.379 1.621) 1.669 6.954 ( 3.548 -2.693 -2.503) 5.109 7.027 ( 5.777 -0.962 -1.034) 5.948 7.045 ( -0.735 -4.555 0.261) 4.621 7.289 ( 6.481 2.851 4.301) 8.284 7.336 ( 0.839 -1.195 3.658) 3.939 7.463 ( 0.846 4.919 -0.585) 5.025 7.509 ( -7.279 2.784 -0.776) 7.832 7.538 ( -3.455 -2.336 2.338) 4.782 7.627 ( 1.159 -6.297 -1.290) 6.532 7.728 ( -1.263 6.248 6.530) 9.126 7.834 ( -0.560 3.351 0.153) 3.401 7.840 ( -3.373 -5.347 5.716) 8.523 7.923 ( 1.760 -5.827 3.035) 6.801 8.142 ( -4.862 8.497 -0.393) 9.798 8.187 ( 1.219 6.970 0.926) 7.136 8.293 ( 0.969 1.084 1.158) 1.859 8.333 ( 4.766 3.556 3.839) 7.078 8.465 ( -1.784 2.743 -2.938) 4.397 8.510 ( -0.421 -2.475 -4.315) 4.992 8.549 ( -4.265 7.977 -5.873) 10.785 8.661 ( 4.018 9.143 0.049) 9.987 8.707 ( -3.798 -1.928 -7.664) 8.767 8.834 ( 3.037 -5.121 0.759) 6.002 8.842 ( 1.690 9.939 -3.315) 10.612 8.947 ( 4.574 1.015 2.530) 5.325 8.973 ( 1.005 -0.812 0.333) 1.335 9.011 ( 0.203 -3.594 0.498) 3.634 9.116 ( -1.850 2.125 -4.879) 5.635 9.150 ( -0.786 -1.027 -2.544) 2.854 9.179 ( 0.314 -1.631 -2.848) 3.298 9.188 ( 3.170 -4.398 -3.525) 6.467 9.327 ( -3.522 3.863 0.428) 5.245 9.362 ( -3.599 2.693 2.564) 5.175 9.419 ( -1.865 -1.145 3.917) 4.487 9.430 ( -6.608 -5.220 2.540) 8.796 9.633 ( -0.735 2.066 -1.680) 2.762 9.665 ( 0.793 -1.605 1.171) 2.139 9.764 ( -2.160 6.924 -3.405) 8.013 9.869 ( -2.619 -3.358 -8.660) 9.650 9.890 ( 1.088 1.689 0.112) 2.012 9.973 ( -1.232 -5.604 2.980) 6.465 10.084 ( 1.556 3.324 -2.378) 4.373 10.127 ( 4.104 -1.399 -2.698) 5.106 10.298 ( 1.732 1.867 3.184) 4.077 10.332 ( 2.089 -1.810 2.375) 3.644 10.534 ( -1.046 7.160 -0.645) 7.265 10.614 ( -2.993 5.353 -0.022) 6.133 10.697 ( 2.333 0.082 -1.710) 2.894 10.823 ( 0.019 -6.760 -3.632) 7.674 10.896 ( -0.139 2.227 2.407) 3.282 10.993 ( -1.512 -4.364 1.653) 4.906 11.017 ( 1.558 -1.693 1.299) 2.642 11.112 ( 2.246 -6.891 0.978) 7.314 11.287 ( -1.855 1.945 -5.114) 5.777 11.349 ( -1.955 -3.101 -5.846) 6.900 11.499 ( -0.070 2.129 -5.879) 6.253 11.572 ( -1.501 -4.400 -4.387) 6.392 11.877 ( -0.520 1.907 5.479) 5.825 11.900 ( -1.694 -0.386 2.690) 3.202 11.988 ( -1.725 2.732 -5.300) 6.207 12.024 ( 0.054 -1.338 -4.449) 4.646 12.152 ( -5.705 1.660 -2.571) 6.474 12.194 ( -4.910 -2.833 2.472) 6.184 12.439 ( 5.196 7.726 2.762) 9.712 12.562 ( 4.687 -4.859 2.862) 7.332 12.856 ( -6.787 2.942 -0.742) 7.434 12.886 ( -3.546 -0.082 -1.561) 3.875 12.980 ( 4.797 -0.324 0.396) 4.825 13.021 ( 4.847 -3.378 1.250) 6.039 13.537 ( 0.897 0.683 -0.671) 1.312 13.550 ( 1.688 -0.826 -1.847) 2.635 13.826 ( -1.426 2.349 -5.304) 5.973 13.865 ( -1.830 -2.046 -6.239) 6.816 13.958 ( -5.009 2.222 -4.841) 7.312 13.993 ( -6.987 -1.364 -6.287) 9.497 14.094 ( 2.931 2.716 0.559) 4.035 14.128 ( 5.516 -0.447 0.596) 5.566 14.257 ( 2.734 0.097 2.838) 3.942 14.270 ( 5.017 -0.994 3.101) 5.981 14.348 ( 4.573 1.178 4.190) 6.313 14.390 ( 2.973 -3.217 3.618) 5.681 14.527 ( -0.285 0.240 3.613) 3.632 14.534 ( 1.280 -0.370 3.522) 3.765 14.771 ( 0.543 1.146 5.962) 6.096 14.789 ( -0.080 -0.982 7.440) 7.505 17.774 ( -2.039 1.442 -1.869) 3.119 17.812 ( -2.562 -2.674 -2.596) 4.523 17.942 ( -2.884 0.681 0.762) 3.060 17.959 ( -3.076 -0.961 0.749) 3.309 18.043 ( -1.928 0.337 -1.776) 2.643 18.047 ( -2.349 0.082 -0.795) 2.482 18.202 ( -1.927 0.382 0.711) 2.089 18.219 ( -0.084 -1.625 0.960) 1.890 18.258 ( 1.413 1.409 0.732) 2.125 18.292 ( 1.518 -2.269 0.145) 2.734 18.467 ( 2.749 1.537 0.066) 3.150 18.504 ( 3.671 -2.784 0.494) 4.633 19.007 ( -0.578 2.453 0.841) 2.657 19.062 ( -0.230 -3.610 0.578) 3.664 19.328 ( 0.214 1.871 -0.861) 2.071 19.343 ( 0.380 0.311 -1.317) 1.406 20.179 ( 2.005 5.284 -3.030) 6.412 20.213 ( 0.148 3.716 -2.062) 4.252 20.452 ( -0.206 5.545 -8.027) 9.758 20.584 ( 0.418 -6.565 -5.869) 8.816 20.639 ( -0.061 2.111 -0.225) 2.124 20.680 ( -0.375 -2.321 -0.774) 2.475 20.929 ( -0.105 -0.077 -0.767) 0.778 20.932 ( 0.432 -0.383 -1.056) 1.204 21.505 ( 1.955 5.977 -3.061) 6.994 21.593 ( 3.038 -3.625 -0.720) 4.784 21.649 ( -1.629 0.514 -1.248) 2.115 21.658 ( -2.991 0.076 -3.168) 4.357 21.778 ( 1.428 1.648 -2.103) 3.030 21.806 ( 1.297 -0.971 -2.314) 2.825 21.987 ( 3.935 3.800 1.836) 5.770 22.052 ( 3.480 -3.079 -2.400) 5.230 24.655 ( 0.122 1.442 2.944) 3.281 24.683 ( -0.175 -1.536 2.902) 3.288 24.819 ( -0.674 1.824 1.578) 2.504 24.859 ( -1.088 -2.450 1.382) 3.016 24.926 ( 0.176 1.769 0.741) 1.926 24.955 ( 0.274 -1.400 0.698) 1.588 25.091 ( 0.409 1.843 1.172) 2.222 25.119 ( 0.070 -1.207 0.424) 1.282 28.819 ( -0.906 0.344 -0.648) 1.166 28.824 ( -0.076 -0.231 -0.583) 0.632 28.871 ( 0.479 0.800 -0.391) 1.012 28.885 ( 0.405 -0.755 -0.526) 1.005 29.099 ( 0.393 0.368 -0.422) 0.684 29.107 ( 0.215 -0.477 -0.450) 0.690 29.196 ( 0.151 0.827 -1.205) 1.469 29.210 ( 0.174 -0.721 -1.303) 1.499 34.892 ( -2.304 2.456 0.898) 3.485 34.922 ( -2.647 0.145 -0.075) 2.652 34.979 ( -0.245 0.682 -0.329) 0.796 35.035 ( 2.973 -4.751 1.720) 5.862 35.266 ( -16.665 1.759 -11.133) 20.118 35.316 ( -18.064 -3.814 -18.677) 26.261 36.029 ( 7.787 24.059 15.384) 29.600 36.522 ( -2.641 -29.130 18.148) 34.422 38.023 ( 3.005 2.960 0.885) 4.310 38.077 ( 4.209 -2.231 1.510) 4.997 38.116 ( -4.362 3.068 2.389) 5.844 38.195 ( -2.730 -6.155 2.784) 7.286 38.306 ( 0.032 3.314 1.243) 3.539 38.390 ( 0.990 -5.964 2.337) 6.482 38.681 ( 0.827 3.639 1.417) 3.992 38.770 ( -0.088 -6.372 0.674) 6.408 39.357 ( 1.169 2.918 -2.637) 4.104 39.412 ( 3.710 -2.969 -1.771) 5.072 39.493 ( 2.728 3.039 -2.458) 4.766 39.544 ( 0.850 -2.327 -1.908) 3.127 39.687 ( 1.370 1.379 -2.579) 3.230 39.713 ( 1.677 -1.190 -1.851) 2.766 39.914 ( -6.880 2.174 -1.332) 7.337 39.947 ( -10.546 -1.322 0.696) 10.651 40.898 ( -0.070 1.948 4.875) 5.251 40.915 ( 0.894 -0.157 5.375) 5.451 41.186 ( -0.376 -0.335 3.499) 3.535 41.215 ( -5.107 -3.404 4.359) 7.527 41.919 ( 19.061 17.136 -8.316) 26.947 42.143 ( 1.792 6.883 -3.280) 7.832 42.368 ( 8.164 -0.699 -10.293) 13.156 42.750 ( -11.974 -28.552 -0.752) 30.970 ======================= Grid point 36 (21/57) ======================= q-point: (-0.25 0.40 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.663 ( -19.958 24.666 13.310) 34.407 2.077 ( -18.674 4.864 14.486) 24.129 2.156 ( -24.168 0.738 15.025) 28.468 2.601 ( -26.984 -22.570 14.237) 37.950 3.004 ( -2.679 21.766 8.685) 23.587 3.122 ( -4.188 18.616 6.855) 20.275 3.218 ( 6.389 9.638 5.904) 12.984 3.292 ( 18.962 17.046 7.221) 26.501 3.401 ( 3.129 8.015 4.728) 9.817 3.544 ( 1.715 -3.081 2.965) 4.607 3.718 ( 2.586 -12.277 4.640) 13.377 3.774 ( 1.503 -14.735 0.688) 14.828 3.980 ( -6.004 3.317 0.840) 6.910 4.089 ( -6.405 -4.274 5.756) 9.613 4.264 ( -3.780 -7.143 3.698) 8.887 4.323 ( -1.686 7.854 7.968) 11.315 4.371 ( -4.097 4.367 -1.196) 6.106 4.451 ( 0.887 -15.349 0.705) 15.390 4.526 ( 1.443 -8.773 0.449) 8.902 4.627 ( -4.087 -11.182 8.260) 14.490 4.679 ( -6.427 2.711 0.683) 7.009 4.856 ( -5.417 -9.602 -1.061) 11.076 4.961 ( -1.271 1.012 6.023) 6.239 4.971 ( -4.186 -0.903 2.882) 5.162 5.113 ( -0.969 7.380 2.807) 7.955 5.220 ( -0.918 -0.032 1.011) 1.366 5.296 ( 1.455 -0.919 8.364) 8.539 5.321 ( 0.943 -5.457 8.088) 9.802 5.432 ( -2.856 0.385 -2.317) 3.698 5.468 ( -2.201 -0.239 -3.774) 4.376 5.527 ( -2.883 -2.612 -0.441) 3.915 5.581 ( -3.616 -2.942 1.559) 4.915 5.715 ( 3.259 -1.692 3.843) 5.316 5.764 ( 3.410 -0.558 4.944) 6.032 5.772 ( 1.269 -2.135 0.554) 2.545 5.874 ( 3.672 -4.770 4.113) 7.290 5.945 ( 2.292 5.473 -4.069) 7.195 5.975 ( 1.281 3.630 1.077) 3.997 6.057 ( 0.795 -4.453 2.835) 5.339 6.069 ( 1.414 -6.517 -3.845) 7.698 6.284 ( -1.090 6.953 1.045) 7.115 6.383 ( 1.928 -0.606 3.343) 3.906 6.425 ( -0.807 -3.049 0.169) 3.159 6.461 ( 8.193 -3.964 4.445) 10.129 6.539 ( -1.280 2.013 4.246) 4.870 6.588 ( -1.942 -3.121 2.096) 4.232 6.747 ( 7.269 0.860 7.271) 10.317 6.781 ( 6.010 -2.421 6.704) 9.323 6.853 ( 0.989 3.761 -0.402) 3.910 6.874 ( 2.317 0.994 3.404) 4.236 6.918 ( 2.436 -2.458 4.253) 5.483 6.958 ( 2.478 -3.690 3.260) 5.512 7.124 ( 1.945 1.713 -3.402) 4.277 7.163 ( 3.920 -1.854 -4.877) 6.526 7.256 ( -6.987 1.514 -2.661) 7.628 7.267 ( -3.754 0.562 -0.847) 3.889 7.433 ( 1.094 7.465 -2.593) 7.978 7.546 ( 0.257 6.439 6.815) 9.379 7.606 ( 4.228 -10.101 -0.547) 10.964 7.644 ( -1.980 -2.135 4.139) 5.060 7.801 ( 2.113 2.556 0.556) 3.363 7.852 ( 8.344 -2.841 0.838) 8.854 7.959 ( 10.740 1.446 7.905) 13.413 7.989 ( 4.799 -2.095 6.734) 8.531 8.055 ( -3.526 5.497 2.033) 6.840 8.138 ( -2.114 -2.591 1.873) 3.833 8.317 ( -0.761 12.077 -6.249) 13.620 8.405 ( 0.122 6.085 -3.444) 6.993 8.439 ( 1.845 3.986 -0.353) 4.406 8.502 ( 4.624 -1.783 0.433) 4.975 8.546 ( 0.590 -1.851 -2.312) 3.019 8.621 ( 0.992 -4.447 -2.861) 5.380 8.707 ( -1.064 11.048 -2.645) 11.410 8.837 ( 0.044 3.079 -1.655) 3.496 8.874 ( 0.375 -1.775 -2.307) 2.935 8.924 ( -5.078 1.388 -3.615) 6.387 8.997 ( -3.050 0.370 3.565) 4.706 9.022 ( -3.643 0.270 0.349) 3.669 9.048 ( 0.078 1.642 1.078) 1.966 9.100 ( -1.646 -2.560 -1.189) 3.267 9.141 ( -1.809 -0.517 -1.111) 2.185 9.200 ( -0.618 -3.864 -1.475) 4.182 9.284 ( 3.003 -1.049 -3.411) 4.664 9.307 ( -2.702 -2.645 0.131) 3.783 9.366 ( 1.269 4.285 0.657) 4.517 9.448 ( 0.671 -3.003 0.274) 3.089 9.606 ( -0.593 1.853 -2.040) 2.819 9.631 ( -2.838 -1.072 -3.719) 4.800 9.777 ( 3.402 1.071 1.886) 4.035 9.813 ( 0.106 -2.687 1.778) 3.224 9.917 ( 0.570 1.011 -0.069) 1.163 9.960 ( -0.088 -3.284 0.670) 3.352 10.122 ( 2.577 4.350 -0.602) 5.092 10.194 ( 1.813 -3.348 -0.022) 3.808 10.327 ( 0.607 4.520 1.457) 4.787 10.400 ( 1.661 -1.590 -0.517) 2.357 10.536 ( 1.864 8.210 -2.603) 8.813 10.655 ( 8.288 1.817 0.800) 8.522 10.758 ( 3.527 -0.927 -0.471) 3.677 10.814 ( 0.254 -5.817 -2.873) 6.493 10.920 ( 0.818 0.713 0.595) 1.238 10.966 ( 1.169 -3.286 1.117) 3.662 11.040 ( -0.277 1.515 -2.414) 2.863 11.122 ( -1.044 -6.269 -1.273) 6.481 11.175 ( -5.744 1.828 -0.483) 6.048 11.228 ( -6.073 -2.728 -0.342) 6.667 11.377 ( -8.320 2.443 -6.722) 10.972 11.442 ( -9.249 -3.958 -3.493) 10.650 11.812 ( -4.093 1.341 -0.085) 4.308 11.828 ( -4.122 -0.040 2.969) 5.080 11.948 ( 0.094 3.581 -4.273) 5.576 12.016 ( -0.203 -3.476 -1.866) 3.950 12.121 ( 1.883 5.328 0.943) 5.729 12.214 ( 2.471 -4.837 4.646) 7.148 12.496 ( 0.061 10.018 -0.839) 10.053 12.633 ( 2.897 0.575 -2.043) 3.591 12.743 ( -6.608 -3.212 3.272) 8.043 12.800 ( -0.759 -5.963 -0.209) 6.015 13.041 ( 2.832 3.879 -3.038) 5.683 13.132 ( 2.540 -6.321 0.544) 6.834 13.551 ( 0.185 0.915 -1.396) 1.679 13.565 ( 0.316 -0.499 -1.060) 1.213 13.764 ( -3.893 2.266 -3.946) 5.989 13.789 ( -6.095 -0.434 -2.029) 6.438 13.851 ( 0.802 0.851 -3.343) 3.542 13.869 ( 0.431 -1.113 -1.115) 1.634 14.149 ( 0.971 3.913 -0.348) 4.046 14.217 ( 1.807 -2.682 -1.969) 3.786 14.308 ( 0.717 -0.060 0.854) 1.117 14.323 ( -0.333 -2.062 0.197) 2.098 14.425 ( -0.193 1.010 0.173) 1.043 14.436 ( 0.872 -0.183 -0.456) 1.001 14.535 ( 0.317 0.914 2.163) 2.369 14.562 ( -0.131 -1.682 1.740) 2.424 14.821 ( 0.472 0.835 6.303) 6.375 14.831 ( 0.024 -0.403 7.777) 7.787 17.753 ( 0.545 -0.016 1.042) 1.176 17.759 ( -0.238 -0.603 0.766) 1.004 17.899 ( -1.093 0.564 1.505) 1.944 17.903 ( -0.851 0.050 1.965) 2.142 18.019 ( -0.944 -0.019 1.098) 1.448 18.022 ( -0.851 -0.294 1.266) 1.553 18.169 ( -0.447 2.082 -0.025) 2.129 18.212 ( -0.025 -2.536 -0.511) 2.588 18.295 ( 0.840 0.958 0.354) 1.322 18.321 ( 0.676 -1.842 -0.299) 1.985 18.520 ( 1.455 1.703 -0.410) 2.277 18.555 ( 1.115 -2.307 -1.762) 3.110 18.989 ( -1.049 2.851 0.370) 3.061 19.053 ( -0.746 -4.107 0.426) 4.196 19.328 ( 0.150 1.937 -0.941) 2.159 19.347 ( 0.399 -0.052 -1.355) 1.414 20.174 ( -0.381 7.778 -2.162) 8.082 20.265 ( 4.047 -0.964 -2.715) 4.968 20.417 ( 0.587 5.669 -7.946) 9.779 20.554 ( -0.138 -7.978 -5.985) 9.974 20.642 ( 0.332 2.290 -0.051) 2.315 20.678 ( 0.342 -1.707 -0.209) 1.753 20.932 ( 0.666 0.437 -0.822) 1.145 20.941 ( 0.647 -0.356 -1.036) 1.273 21.546 ( 2.006 4.929 -4.823) 7.182 21.590 ( -1.496 0.056 -4.119) 4.383 21.638 ( 1.646 1.473 0.238) 2.222 21.684 ( 4.427 -2.805 -1.172) 5.370 21.810 ( 2.110 0.766 -1.238) 2.563 21.836 ( 1.974 -1.903 -1.924) 3.349 22.110 ( 7.082 2.617 -4.023) 8.555 22.131 ( 5.016 0.143 -5.548) 7.481 24.656 ( -1.459 1.662 3.237) 3.920 24.689 ( -0.658 -1.937 3.272) 3.859 24.820 ( 0.408 1.430 0.972) 1.776 24.844 ( -0.711 -0.903 0.731) 1.362 24.932 ( 0.107 1.067 0.657) 1.257 24.959 ( -0.248 -1.745 0.904) 1.981 25.106 ( 0.143 0.764 1.590) 1.769 25.119 ( -0.360 -0.618 0.661) 0.974 28.783 ( -1.653 1.141 -0.498) 2.069 28.806 ( -1.106 -1.298 -0.709) 1.847 28.881 ( 0.522 0.639 -0.412) 0.922 28.891 ( 0.288 -0.443 -0.632) 0.824 29.114 ( 0.885 0.128 -0.271) 0.935 29.115 ( 0.564 -0.067 -0.423) 0.708 29.194 ( 0.227 0.770 -1.178) 1.425 29.209 ( 0.247 -0.758 -1.275) 1.503 34.843 ( -1.799 0.244 3.379) 3.836 34.849 ( -2.790 -0.379 2.450) 3.732 34.942 ( -5.825 1.477 -0.642) 6.044 34.966 ( -5.726 -1.030 -0.749) 5.866 35.021 ( 0.564 3.938 -0.981) 4.097 35.113 ( 1.651 -5.979 0.479) 6.221 36.101 ( -3.828 15.459 5.625) 16.890 36.382 ( -14.114 -14.719 7.981) 21.899 38.027 ( -4.199 2.552 2.745) 5.628 38.066 ( -2.806 0.558 3.430) 4.466 38.119 ( 0.207 -0.314 1.452) 1.500 38.172 ( 1.286 -5.271 2.289) 5.889 38.328 ( 1.143 4.290 1.211) 4.602 38.428 ( 1.030 -6.177 1.898) 6.543 38.686 ( -0.673 5.060 1.433) 5.302 38.804 ( 2.138 -8.184 0.448) 8.471 39.315 ( -2.259 4.954 -4.372) 6.983 39.385 ( -2.668 -1.634 -5.142) 6.018 39.525 ( -1.719 -0.387 1.511) 2.322 39.554 ( 0.284 -2.740 0.331) 2.775 39.756 ( 0.045 2.548 -0.111) 2.551 39.806 ( 4.120 -2.610 0.609) 4.915 39.927 ( 14.730 2.812 -4.963) 15.795 39.966 ( 14.783 -1.406 -4.306) 15.462 40.852 ( -3.796 4.444 1.441) 6.020 40.917 ( -2.936 -2.674 3.547) 5.325 41.152 ( -2.512 2.355 4.508) 5.673 41.223 ( 1.138 -5.090 4.160) 6.671 41.800 ( -22.034 19.447 3.017) 29.543 42.167 ( -12.139 -8.812 1.471) 15.072 42.354 ( -5.403 1.043 -6.048) 8.177 42.659 ( 12.038 -19.058 -10.195) 24.739 ======================= Grid point 45 (22/57) ======================= q-point: ( 0.00 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 57 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.402 ( 1.605 0.000 31.770) 31.810 1.942 ( -14.775 0.000 43.146) 45.606 2.919 ( 19.414 0.000 43.135) 47.302 3.085 ( 2.786 0.000 4.601) 5.379 3.134 ( -24.929 0.000 13.282) 28.246 3.330 ( 0.102 0.000 -0.805) 0.811 3.427 ( -8.353 0.000 15.467) 17.578 3.506 ( 2.160 0.000 16.209) 16.353 3.619 ( 1.950 0.000 0.372) 1.986 3.702 ( 0.016 0.000 0.422) 0.422 3.745 ( -14.515 0.000 -8.430) 16.785 3.881 ( 6.139 0.000 6.193) 8.720 3.941 ( 10.920 0.000 3.213) 11.383 4.043 ( 7.198 0.000 14.783) 16.443 4.222 ( 5.555 0.000 5.706) 7.963 4.438 ( 8.655 0.000 9.277) 12.688 4.658 ( -3.322 0.000 8.974) 9.569 4.675 ( -0.270 0.000 4.836) 4.844 4.793 ( -7.170 0.000 3.123) 7.820 4.873 ( 2.476 0.000 3.679) 4.434 4.988 ( -0.806 0.000 0.977) 1.267 5.026 ( 0.532 0.000 -0.726) 0.900 5.027 ( -9.788 0.000 10.773) 14.556 5.097 ( -9.968 0.000 11.752) 15.410 5.171 ( -1.587 0.000 2.884) 3.292 5.269 ( 10.935 0.000 0.209) 10.937 5.305 ( -0.780 0.000 1.414) 1.615 5.401 ( 3.357 0.000 1.680) 3.754 5.588 ( 4.589 0.000 0.643) 4.634 5.613 ( -11.158 0.000 1.782) 11.299 5.664 ( 0.452 0.000 -5.161) 5.180 5.699 ( 3.218 0.000 8.613) 9.195 5.755 ( -9.149 0.000 0.557) 9.166 5.763 ( -7.614 0.000 8.289) 11.255 5.839 ( -6.071 0.000 9.871) 11.588 5.946 ( -2.234 0.000 -2.582) 3.414 6.024 ( 11.552 0.000 1.628) 11.666 6.031 ( -8.115 0.000 -1.224) 8.207 6.148 ( -1.268 0.000 -0.304) 1.304 6.186 ( -6.519 0.000 -2.032) 6.828 6.333 ( 0.410 0.000 -4.866) 4.884 6.370 ( -3.568 0.000 -5.966) 6.951 6.415 ( 11.143 0.000 5.478) 12.417 6.505 ( 4.911 0.000 7.456) 8.928 6.547 ( -6.508 0.000 -1.818) 6.757 6.624 ( 1.562 0.000 -0.829) 1.768 6.639 ( -1.670 0.000 4.565) 4.861 6.743 ( -6.142 0.000 -1.895) 6.428 6.759 ( -1.735 0.000 2.807) 3.300 6.889 ( -8.604 0.000 -5.916) 10.441 6.953 ( -8.372 0.000 -2.377) 8.703 7.010 ( -1.482 0.000 4.848) 5.070 7.032 ( 4.141 0.000 5.578) 6.947 7.165 ( -0.296 0.000 4.410) 4.419 7.202 ( -0.605 0.000 -0.156) 0.625 7.439 ( 6.348 0.000 5.542) 8.427 7.493 ( 0.237 0.000 -1.675) 1.691 7.580 ( -3.178 0.000 -1.629) 3.571 7.611 ( 7.924 0.000 2.182) 8.219 7.697 ( 0.090 0.000 -0.165) 0.188 7.784 ( -2.892 0.000 0.397) 2.919 7.903 ( -3.411 0.000 -2.108) 4.010 7.914 ( -2.315 0.000 -2.674) 3.537 8.036 ( 0.106 0.000 -3.215) 3.217 8.091 ( 0.712 0.000 7.141) 7.176 8.127 ( 2.890 0.000 2.942) 4.124 8.227 ( 8.395 0.000 3.644) 9.152 8.321 ( -1.664 0.000 -4.390) 4.695 8.344 ( -6.069 0.000 -0.544) 6.093 8.386 ( 0.327 0.000 0.044) 0.330 8.426 ( -7.004 0.000 -5.302) 8.785 8.573 ( -4.075 0.000 -5.073) 6.507 8.619 ( -1.003 0.000 5.509) 5.599 8.681 ( -7.886 0.000 -1.507) 8.029 8.770 ( 6.530 0.000 -3.444) 7.383 8.850 ( 2.123 0.000 1.005) 2.349 8.879 ( 4.410 0.000 -2.293) 4.970 8.973 ( -7.864 0.000 3.802) 8.735 9.102 ( 3.828 0.000 -1.273) 4.034 9.117 ( -1.632 0.000 -5.235) 5.483 9.176 ( 0.096 0.000 0.699) 0.706 9.283 ( -1.716 0.000 -1.748) 2.450 9.316 ( 1.469 0.000 -0.825) 1.685 9.317 ( 1.241 0.000 0.454) 1.321 9.437 ( 7.343 0.000 -1.067) 7.420 9.457 ( -0.644 0.000 9.454) 9.476 9.651 ( 2.326 0.000 1.035) 2.546 9.668 ( -2.144 0.000 2.506) 3.298 9.799 ( 3.045 0.000 -3.370) 4.542 9.935 ( 3.369 0.000 -7.846) 8.539 9.971 ( -1.058 0.000 1.886) 2.163 10.039 ( 2.441 0.000 -1.297) 2.764 10.059 ( -2.972 0.000 6.205) 6.880 10.196 ( 3.826 0.000 -3.019) 4.874 10.272 ( -7.573 0.000 -1.093) 7.652 10.366 ( -1.203 0.000 10.751) 10.818 10.546 ( -13.629 0.000 3.379) 14.041 10.654 ( -4.115 0.000 3.211) 5.220 10.832 ( -0.343 0.000 -4.809) 4.821 10.849 ( -0.720 0.000 -1.411) 1.584 10.887 ( 0.938 0.000 1.843) 2.068 10.901 ( -3.153 0.000 2.320) 3.915 11.034 ( -0.261 0.000 -0.645) 0.696 11.089 ( 14.990 0.000 -2.371) 15.177 11.178 ( 0.569 0.000 -2.829) 2.886 11.223 ( 6.748 0.000 2.429) 7.172 11.505 ( 4.019 0.000 3.706) 5.467 11.656 ( 4.284 0.000 -9.845) 10.737 11.702 ( -1.778 0.000 -0.629) 1.886 11.778 ( 1.576 0.000 0.730) 1.737 11.807 ( -1.025 0.000 1.556) 1.864 11.971 ( 3.748 0.000 4.278) 5.687 12.004 ( 0.538 0.000 -0.062) 0.542 12.233 ( -1.335 0.000 -4.229) 4.434 12.414 ( 6.028 0.000 -4.027) 7.249 12.631 ( 7.292 0.000 9.935) 12.324 12.706 ( -2.106 0.000 -6.711) 7.033 12.897 ( -1.820 0.000 -3.181) 3.665 12.959 ( -13.619 0.000 -6.934) 15.283 13.042 ( 5.431 0.000 -0.647) 5.469 13.504 ( -0.226 0.000 -1.095) 1.118 13.606 ( 9.005 0.000 0.908) 9.051 13.667 ( -6.188 0.000 1.238) 6.310 13.682 ( 2.913 0.000 -0.717) 3.000 13.900 ( 6.526 0.000 3.615) 7.460 13.926 ( 0.844 0.000 0.574) 1.021 14.001 ( -3.640 0.000 -8.427) 9.179 14.087 ( -4.080 0.000 -6.585) 7.747 14.220 ( 0.827 0.000 1.408) 1.633 14.289 ( -4.611 0.000 -5.015) 6.813 14.313 ( -3.063 0.000 -1.292) 3.324 14.395 ( 4.012 0.000 -0.828) 4.097 14.554 ( -0.998 0.000 0.949) 1.377 14.654 ( -0.671 0.000 5.164) 5.207 14.833 ( -2.641 0.000 3.914) 4.722 14.980 ( -2.722 0.000 3.855) 4.719 17.873 ( -3.331 0.000 0.804) 3.427 17.957 ( -1.896 0.000 1.564) 2.458 17.985 ( 4.249 0.000 6.789) 8.009 18.006 ( 1.553 0.000 2.298) 2.773 18.048 ( 1.443 0.000 3.260) 3.565 18.171 ( -2.932 0.000 -5.756) 6.460 18.202 ( 1.425 0.000 3.103) 3.415 18.232 ( -0.590 0.000 -0.197) 0.622 18.321 ( 8.069 0.000 1.288) 8.171 18.369 ( -0.019 0.000 -2.511) 2.511 18.382 ( -2.969 0.000 -2.909) 4.156 18.394 ( -2.505 0.000 -6.391) 6.865 18.965 ( 1.674 0.000 2.355) 2.890 19.166 ( 0.607 0.000 -2.915) 2.977 19.241 ( -1.448 0.000 -0.345) 1.489 19.253 ( 0.317 0.000 -0.496) 0.589 19.917 ( -0.804 0.000 3.027) 3.132 20.016 ( -0.244 0.000 0.949) 0.980 20.307 ( 1.720 0.000 -5.518) 5.780 20.573 ( 1.913 0.000 -7.761) 7.993 20.580 ( -0.385 0.000 0.772) 0.862 20.708 ( 0.549 0.000 -1.035) 1.171 20.893 ( 0.723 0.000 -1.370) 1.549 20.930 ( 0.122 0.000 -0.788) 0.797 21.350 ( -1.023 0.000 2.267) 2.487 21.588 ( 2.737 0.000 2.728) 3.864 21.627 ( 2.016 0.000 -2.596) 3.287 21.673 ( 1.947 0.000 -3.705) 4.186 21.780 ( -3.033 0.000 -3.937) 4.970 21.846 ( -6.659 0.000 -4.458) 8.013 21.934 ( -0.528 0.000 0.182) 0.559 21.936 ( 2.682 0.000 -8.560) 8.970 24.667 ( -1.108 0.000 3.368) 3.546 24.794 ( 0.118 0.000 0.718) 0.727 24.819 ( -1.796 0.000 2.601) 3.161 24.897 ( 2.044 0.000 3.365) 3.937 24.930 ( 0.674 0.000 -0.513) 0.847 25.033 ( -0.840 0.000 0.321) 0.899 25.054 ( -2.603 0.000 0.524) 2.655 25.134 ( 0.029 0.000 0.358) 0.359 28.765 ( 0.809 0.000 0.936) 1.237 28.838 ( 0.437 0.000 -0.501) 0.665 28.839 ( 0.016 0.000 -0.958) 0.958 28.871 ( 0.303 0.000 -1.350) 1.384 29.095 ( -0.509 0.000 -0.555) 0.753 29.116 ( 0.180 0.000 -0.573) 0.601 29.149 ( 0.333 0.000 -1.549) 1.584 29.187 ( 0.387 0.000 -1.986) 2.023 34.876 ( -0.774 0.000 3.867) 3.944 34.919 ( -1.048 0.000 0.719) 1.271 35.079 ( 7.711 0.000 3.892) 8.638 35.195 ( 5.104 0.000 14.628) 15.493 35.305 ( -6.963 0.000 1.915) 7.222 35.567 ( -5.289 0.000 -10.166) 11.460 36.034 ( -10.279 0.000 -9.207) 13.799 36.339 ( 46.685 0.000 -5.856) 47.050 38.022 ( 1.187 0.000 2.835) 3.074 38.132 ( 2.658 0.000 3.645) 4.511 38.189 ( -2.679 0.000 2.390) 3.591 38.277 ( -0.634 0.000 0.790) 1.013 38.302 ( -5.943 0.000 0.933) 6.016 38.558 ( -1.411 0.000 -0.823) 1.633 38.607 ( -0.268 0.000 3.470) 3.481 39.027 ( 4.235 0.000 -8.001) 9.053 39.055 ( -3.472 0.000 -0.830) 3.570 39.137 ( -0.857 0.000 -6.214) 6.273 39.464 ( -4.752 0.000 -6.626) 8.154 39.483 ( 1.923 0.000 -6.149) 6.443 39.866 ( 3.473 0.000 6.951) 7.771 40.055 ( 3.355 0.000 0.966) 3.491 40.177 ( 9.498 0.000 1.997) 9.706 40.550 ( -4.896 0.000 2.475) 5.485 40.652 ( 39.131 0.000 -6.353) 39.643 40.811 ( -6.002 0.000 -4.092) 7.264 41.049 ( -6.753 0.000 3.733) 7.717 41.362 ( -1.957 0.000 9.202) 9.408 41.652 ( -27.133 0.000 -6.626) 27.930 41.763 ( 2.054 0.000 9.933) 10.143 41.981 ( -23.061 0.000 -2.014) 23.149 43.037 ( 14.319 0.000 -11.177) 18.165 ======================= Grid point 46 (23/57) ======================= q-point: ( 0.25 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.766 ( 19.600 0.000 28.133) 34.287 1.981 ( 7.443 0.000 29.977) 30.887 2.558 ( -32.976 0.000 12.019) 35.098 2.828 ( -31.508 0.000 -12.573) 33.924 3.040 ( -3.931 0.000 -7.560) 8.520 3.298 ( -14.285 0.000 3.505) 14.708 3.377 ( -0.787 0.000 7.372) 7.414 3.538 ( -2.374 0.000 -16.716) 16.884 3.592 ( 10.677 0.000 5.253) 11.899 3.673 ( -2.874 0.000 4.044) 4.961 3.733 ( -11.043 0.000 -3.199) 11.497 4.094 ( 35.184 0.000 26.759) 44.203 4.318 ( 0.167 0.000 9.001) 9.002 4.335 ( 14.232 0.000 17.217) 22.338 4.421 ( 14.174 0.000 12.854) 19.135 4.483 ( -11.402 0.000 6.147) 12.954 4.603 ( -6.932 0.000 13.783) 15.428 4.643 ( -11.614 0.000 7.690) 13.929 4.691 ( 7.233 0.000 14.155) 15.895 4.840 ( -1.305 0.000 -1.961) 2.355 4.908 ( -12.877 0.000 11.573) 17.314 4.944 ( 0.005 0.000 5.391) 5.391 5.072 ( 2.836 0.000 3.766) 4.714 5.139 ( -1.866 0.000 3.157) 3.667 5.168 ( 1.142 0.000 12.089) 12.143 5.292 ( -10.950 0.000 10.285) 15.023 5.377 ( -4.607 0.000 -3.481) 5.775 5.481 ( 3.032 0.000 8.340) 8.874 5.521 ( 3.874 0.000 4.897) 6.244 5.583 ( 1.495 0.000 10.305) 10.413 5.628 ( 7.144 0.000 -0.311) 7.151 5.704 ( -4.104 0.000 4.832) 6.340 5.771 ( -9.639 0.000 -3.321) 10.195 5.786 ( 8.575 0.000 1.479) 8.701 5.811 ( -1.240 0.000 6.180) 6.303 5.906 ( -0.134 0.000 5.560) 5.561 5.959 ( 3.613 0.000 8.173) 8.936 6.031 ( 9.143 0.000 -4.536) 10.206 6.093 ( -6.791 0.000 0.442) 6.805 6.100 ( -2.949 0.000 2.802) 4.068 6.358 ( -3.859 0.000 -2.786) 4.759 6.431 ( 7.146 0.000 -3.467) 7.942 6.434 ( -11.162 0.000 -6.274) 12.804 6.544 ( -4.825 0.000 0.058) 4.825 6.625 ( 2.875 0.000 1.312) 3.160 6.631 ( 6.154 0.000 3.356) 7.010 6.675 ( 4.000 0.000 -0.327) 4.013 6.719 ( 5.500 0.000 -1.215) 5.632 6.809 ( 4.952 0.000 5.578) 7.459 6.824 ( 9.391 0.000 6.664) 11.515 6.850 ( 1.009 0.000 1.830) 2.089 6.993 ( -6.230 0.000 2.521) 6.721 7.117 ( 2.474 0.000 3.051) 3.928 7.138 ( -5.212 0.000 3.931) 6.528 7.156 ( -1.283 0.000 7.214) 7.327 7.420 ( 0.044 0.000 1.519) 1.520 7.502 ( -4.312 0.000 -5.486) 6.977 7.545 ( -6.203 0.000 5.146) 8.059 7.562 ( 2.632 0.000 -3.920) 4.721 7.698 ( -6.729 0.000 -4.195) 7.930 7.766 ( -11.183 0.000 -3.011) 11.581 7.768 ( -3.790 0.000 -2.676) 4.640 7.804 ( 3.621 0.000 6.174) 7.158 7.959 ( -11.186 0.000 1.866) 11.341 8.102 ( 7.581 0.000 -4.368) 8.749 8.161 ( -7.996 0.000 2.654) 8.425 8.192 ( -5.439 0.000 -1.608) 5.672 8.219 ( 1.171 0.000 7.160) 7.255 8.324 ( 2.246 0.000 2.609) 3.443 8.336 ( 2.593 0.000 -4.217) 4.951 8.495 ( -6.741 0.000 -5.400) 8.637 8.552 ( -2.707 0.000 -2.358) 3.590 8.607 ( 11.313 0.000 4.502) 12.176 8.635 ( -2.029 0.000 5.620) 5.975 8.816 ( 1.362 0.000 -4.124) 4.343 8.890 ( 1.498 0.000 3.774) 4.060 8.936 ( 1.610 0.000 5.243) 5.484 8.963 ( 2.803 0.000 -1.443) 3.152 9.109 ( 3.387 0.000 -7.024) 7.798 9.116 ( -1.188 0.000 -4.858) 5.001 9.187 ( 1.204 0.000 -1.410) 1.854 9.226 ( -3.735 0.000 -0.242) 3.743 9.290 ( -1.371 0.000 -3.561) 3.816 9.303 ( -1.098 0.000 -1.070) 1.533 9.510 ( 1.743 0.000 4.534) 4.858 9.562 ( -2.659 0.000 2.430) 3.602 9.607 ( 1.788 0.000 1.166) 2.135 9.706 ( 2.215 0.000 -1.278) 2.557 9.758 ( -4.884 0.000 -3.099) 5.784 9.887 ( -7.243 0.000 4.777) 8.677 9.888 ( -3.675 0.000 -10.416) 11.045 9.991 ( -2.999 0.000 2.494) 3.900 10.110 ( -6.613 0.000 3.013) 7.267 10.163 ( 8.489 0.000 -1.604) 8.640 10.190 ( -1.237 0.000 -5.581) 5.716 10.259 ( -3.091 0.000 6.077) 6.819 10.478 ( -3.345 0.000 8.681) 9.303 10.614 ( -1.939 0.000 6.032) 6.336 10.781 ( -2.948 0.000 2.139) 3.642 10.795 ( 1.436 0.000 -7.052) 7.196 10.852 ( -2.734 0.000 -0.931) 2.888 10.981 ( 6.216 0.000 3.001) 6.902 11.018 ( 0.578 0.000 -1.201) 1.333 11.231 ( 3.238 0.000 -0.507) 3.278 11.330 ( 7.656 0.000 -6.848) 10.272 11.437 ( 7.808 0.000 -7.200) 10.621 11.586 ( 0.254 0.000 4.697) 4.704 11.664 ( 0.779 0.000 -5.217) 5.275 11.706 ( 3.701 0.000 -10.595) 11.223 11.800 ( -0.544 0.000 2.744) 2.797 11.868 ( 5.601 0.000 3.387) 6.546 11.931 ( -2.083 0.000 -5.069) 5.480 12.120 ( 0.851 0.000 -6.003) 6.063 12.208 ( 2.502 0.000 5.334) 5.892 12.522 ( 5.012 0.000 -6.131) 7.919 12.582 ( -5.302 0.000 -8.099) 9.680 12.601 ( -13.285 0.000 1.764) 13.402 12.852 ( -0.954 0.000 -2.843) 2.999 12.977 ( 15.761 0.000 11.080) 19.266 13.097 ( -0.186 0.000 -2.354) 2.362 13.478 ( 0.402 0.000 -0.681) 0.791 13.548 ( -4.848 0.000 -0.550) 4.879 13.794 ( -0.318 0.000 -2.661) 2.680 13.811 ( 8.280 0.000 1.013) 8.341 13.882 ( -4.101 0.000 -5.969) 7.242 13.892 ( 2.714 0.000 -4.262) 5.053 13.970 ( 1.442 0.000 0.555) 1.545 14.074 ( -1.463 0.000 -2.642) 3.020 14.194 ( 3.001 0.000 1.804) 3.502 14.289 ( 0.879 0.000 1.371) 1.628 14.338 ( 5.619 0.000 5.412) 7.801 14.454 ( 2.079 0.000 -2.538) 3.281 14.545 ( -1.087 0.000 2.059) 2.329 14.647 ( -2.491 0.000 4.101) 4.798 14.817 ( -0.066 0.000 5.126) 5.127 14.958 ( -0.342 0.000 4.175) 4.189 17.801 ( -2.946 0.000 0.254) 2.957 17.914 ( -1.554 0.000 0.396) 1.604 18.006 ( -4.408 0.000 -2.832) 5.239 18.015 ( -6.969 0.000 -8.931) 11.328 18.050 ( 1.000 0.000 1.748) 2.014 18.077 ( 0.424 0.000 5.732) 5.748 18.242 ( 1.968 0.000 2.809) 3.430 18.257 ( -1.393 0.000 0.837) 1.625 18.282 ( -2.296 0.000 -2.943) 3.733 18.336 ( 1.304 0.000 2.241) 2.593 18.349 ( -0.302 0.000 -3.005) 3.020 18.494 ( 5.024 0.000 -2.078) 5.437 19.000 ( 0.286 0.000 1.620) 1.645 19.167 ( 0.654 0.000 -2.830) 2.904 19.228 ( 0.115 0.000 1.369) 1.374 19.256 ( 0.148 0.000 -0.629) 0.646 19.917 ( -0.444 0.000 3.126) 3.158 20.012 ( -0.433 0.000 0.897) 0.996 20.316 ( 1.462 0.000 -6.689) 6.846 20.577 ( -0.144 0.000 0.758) 0.772 20.581 ( 1.829 0.000 -7.525) 7.744 20.709 ( -0.022 0.000 -1.383) 1.383 20.897 ( 0.227 0.000 -1.604) 1.620 20.929 ( 0.129 0.000 -0.953) 0.962 21.342 ( -0.648 0.000 2.632) 2.710 21.650 ( -0.386 0.000 -3.348) 3.370 21.664 ( 2.035 0.000 -0.691) 2.149 21.673 ( -1.403 0.000 -5.492) 5.669 21.689 ( -2.364 0.000 -0.616) 2.443 21.712 ( -0.310 0.000 1.909) 1.934 21.939 ( 0.498 0.000 0.637) 0.808 21.951 ( 2.122 0.000 -8.315) 8.582 24.670 ( 0.133 0.000 3.210) 3.213 24.791 ( -1.977 0.000 2.432) 3.134 24.812 ( 1.068 0.000 1.109) 1.540 24.914 ( -0.995 0.000 1.901) 2.146 24.943 ( 0.186 0.000 0.093) 0.208 25.002 ( -1.477 0.000 -0.171) 1.486 25.059 ( 1.586 0.000 3.924) 4.232 25.136 ( 0.020 0.000 -0.266) 0.267 28.795 ( 1.406 0.000 0.408) 1.464 28.834 ( -0.724 0.000 -0.623) 0.955 28.836 ( 0.141 0.000 -0.936) 0.946 28.874 ( 0.423 0.000 -1.286) 1.354 29.082 ( -0.319 0.000 -0.447) 0.549 29.113 ( -0.082 0.000 -0.543) 0.549 29.148 ( 0.222 0.000 -1.531) 1.547 29.187 ( 0.409 0.000 -2.009) 2.050 34.879 ( -0.413 0.000 2.739) 2.770 34.916 ( -0.042 0.000 3.717) 3.717 35.163 ( -7.359 0.000 2.183) 7.676 35.298 ( 9.818 0.000 1.196) 9.891 35.338 ( -10.602 0.000 -8.303) 13.466 35.351 ( 4.096 0.000 11.681) 12.378 35.558 ( -20.924 0.000 -9.613) 23.026 37.156 ( 23.714 0.000 -25.901) 35.117 38.088 ( 3.586 0.000 3.380) 4.928 38.113 ( -6.573 0.000 5.483) 8.560 38.133 ( -3.277 0.000 1.987) 3.832 38.266 ( -0.768 0.000 0.877) 1.166 38.299 ( 5.911 0.000 3.295) 6.768 38.558 ( 2.507 0.000 -2.509) 3.547 38.602 ( -1.360 0.000 2.789) 3.104 38.955 ( -4.280 0.000 -2.164) 4.796 39.142 ( 8.395 0.000 -5.805) 10.207 39.167 ( 6.076 0.000 -4.869) 7.786 39.412 ( 2.366 0.000 -6.060) 6.505 39.541 ( 4.756 0.000 -2.779) 5.508 39.818 ( -9.783 0.000 2.020) 9.989 39.900 ( -12.060 0.000 -0.953) 12.097 40.027 ( -17.853 0.000 -0.379) 17.857 40.604 ( -28.875 0.000 -0.924) 28.889 40.723 ( 14.202 0.000 3.683) 14.672 41.015 ( 1.224 0.000 7.412) 7.513 41.088 ( 7.039 0.000 3.686) 7.946 41.331 ( -4.264 0.000 7.813) 8.901 41.563 ( 42.221 0.000 -16.612) 45.372 41.781 ( -4.315 0.000 9.068) 10.043 41.801 ( -7.091 0.000 -0.174) 7.093 43.222 ( 8.106 0.000 -12.714) 15.078 ======================= Grid point 47 (24/57) ======================= q-point: (-0.50 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 57 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.948 ( -30.753 0.000 16.840) 35.062 1.992 ( -27.912 0.000 4.459) 28.266 2.366 ( 26.518 0.000 23.953) 35.734 2.538 ( 19.912 0.000 17.611) 26.583 2.872 ( -2.174 0.000 -0.609) 2.258 3.230 ( 0.189 0.000 7.921) 7.924 3.304 ( -6.223 0.000 6.227) 8.804 3.499 ( 3.254 0.000 -6.216) 7.016 3.666 ( 6.211 0.000 5.994) 8.631 3.747 ( 7.172 0.000 -2.284) 7.527 3.806 ( 10.661 0.000 -1.238) 10.733 4.038 ( -42.213 0.000 18.709) 46.173 4.246 ( -21.034 0.000 8.352) 22.631 4.306 ( -10.557 0.000 7.023) 12.679 4.323 ( -17.967 0.000 10.239) 20.679 4.341 ( -12.370 0.000 5.885) 13.698 4.641 ( 6.146 0.000 10.056) 11.786 4.651 ( -7.161 0.000 4.829) 8.637 4.774 ( 6.318 0.000 4.614) 7.823 4.811 ( 4.787 0.000 12.504) 13.389 4.891 ( -1.540 0.000 5.375) 5.591 4.980 ( -2.708 0.000 -0.208) 2.716 4.997 ( 1.805 0.000 12.208) 12.340 5.143 ( 1.370 0.000 7.086) 7.218 5.267 ( -1.415 0.000 6.046) 6.209 5.333 ( 9.533 0.000 5.741) 11.128 5.466 ( -2.790 0.000 3.938) 4.826 5.555 ( -2.396 0.000 5.601) 6.092 5.617 ( -4.010 0.000 -3.453) 5.292 5.648 ( 15.064 0.000 10.934) 18.613 5.716 ( 1.262 0.000 1.515) 1.971 5.759 ( -0.104 0.000 4.289) 4.290 5.808 ( 7.075 0.000 17.202) 18.601 5.823 ( -5.365 0.000 -2.543) 5.937 5.839 ( 3.087 0.000 7.627) 8.228 5.965 ( 4.017 0.000 3.444) 5.291 5.999 ( 1.770 0.000 4.812) 5.128 6.018 ( 2.744 0.000 3.391) 4.362 6.091 ( -6.628 0.000 -2.465) 7.072 6.208 ( 0.106 0.000 -7.884) 7.885 6.219 ( 1.906 0.000 5.517) 5.837 6.294 ( 6.199 0.000 1.992) 6.511 6.437 ( -2.021 0.000 -2.089) 2.907 6.507 ( 1.115 0.000 -2.249) 2.510 6.672 ( 4.944 0.000 -0.589) 4.979 6.729 ( -7.877 0.000 -2.237) 8.188 6.771 ( 4.099 0.000 -3.773) 5.571 6.804 ( -0.269 0.000 12.389) 12.392 6.814 ( 0.109 0.000 6.391) 6.392 6.928 ( 4.795 0.000 1.857) 5.142 6.929 ( -1.660 0.000 -9.885) 10.024 6.962 ( -0.611 0.000 3.342) 3.398 7.108 ( 0.522 0.000 -3.047) 3.091 7.182 ( 7.077 0.000 2.302) 7.442 7.189 ( 1.477 0.000 -1.878) 2.389 7.355 ( -4.464 0.000 7.344) 8.594 7.444 ( -10.251 0.000 -1.417) 10.348 7.479 ( -7.059 0.000 -1.376) 7.192 7.569 ( 1.865 0.000 5.908) 6.195 7.598 ( 1.281 0.000 0.240) 1.303 7.671 ( 11.055 0.000 0.200) 11.056 7.712 ( -0.583 0.000 -4.808) 4.843 7.785 ( -6.090 0.000 1.340) 6.236 7.953 ( 7.985 0.000 5.717) 9.821 8.071 ( -0.340 0.000 -1.942) 1.971 8.120 ( -5.125 0.000 -3.391) 6.146 8.213 ( -2.587 0.000 8.724) 9.100 8.247 ( -3.176 0.000 -3.189) 4.501 8.332 ( 11.785 0.000 -1.872) 11.932 8.412 ( 5.066 0.000 -0.539) 5.094 8.415 ( 2.415 0.000 7.106) 7.505 8.538 ( -7.716 0.000 3.115) 8.321 8.540 ( 3.304 0.000 -3.224) 4.616 8.779 ( 3.037 0.000 4.390) 5.338 8.819 ( -1.134 0.000 -2.440) 2.691 8.855 ( -4.697 0.000 -0.649) 4.742 8.938 ( -3.738 0.000 -3.442) 5.082 9.026 ( 2.733 0.000 6.127) 6.709 9.070 ( -0.350 0.000 -1.956) 1.987 9.157 ( 0.337 0.000 -0.832) 0.897 9.178 ( 0.352 0.000 -2.129) 2.158 9.241 ( 3.886 0.000 2.317) 4.524 9.271 ( 1.121 0.000 -5.807) 5.915 9.288 ( -0.051 0.000 -1.069) 1.070 9.438 ( -5.022 0.000 -1.469) 5.232 9.527 ( -2.295 0.000 -4.114) 4.710 9.613 ( -2.887 0.000 -4.820) 5.619 9.698 ( 0.937 0.000 5.793) 5.868 9.709 ( 0.229 0.000 -5.957) 5.961 9.818 ( -0.195 0.000 0.527) 0.562 9.851 ( 2.739 0.000 3.731) 4.629 9.987 ( 0.834 0.000 3.189) 3.296 10.046 ( -1.531 0.000 2.301) 2.764 10.114 ( -2.897 0.000 -4.383) 5.254 10.265 ( -1.146 0.000 8.366) 8.444 10.318 ( 6.375 0.000 -0.795) 6.424 10.425 ( -2.874 0.000 7.434) 7.970 10.628 ( 0.635 0.000 4.411) 4.457 10.774 ( 0.486 0.000 -1.862) 1.924 10.796 ( 0.136 0.000 -3.683) 3.685 10.812 ( 0.764 0.000 2.855) 2.955 11.048 ( 1.332 0.000 1.114) 1.736 11.111 ( 4.271 0.000 1.118) 4.415 11.269 ( 0.227 0.000 0.899) 0.927 11.335 ( -4.530 0.000 -8.347) 9.497 11.402 ( -6.116 0.000 -6.992) 9.290 11.527 ( -4.449 0.000 -1.821) 4.807 11.689 ( 0.600 0.000 -7.208) 7.233 11.740 ( 3.513 0.000 0.260) 3.522 11.781 ( -1.717 0.000 -1.945) 2.595 11.868 ( -1.749 0.000 -6.595) 6.823 11.948 ( -2.005 0.000 5.710) 6.052 12.072 ( 0.190 0.000 -3.669) 3.674 12.272 ( 0.680 0.000 -1.503) 1.650 12.386 ( -5.835 0.000 -5.828) 8.247 12.433 ( -3.388 0.000 7.717) 8.428 12.648 ( 6.377 0.000 -6.911) 9.404 12.851 ( 2.164 0.000 -2.438) 3.260 13.033 ( -3.543 0.000 -3.869) 5.246 13.293 ( 8.393 0.000 -2.110) 8.654 13.478 ( -1.441 0.000 -2.042) 2.499 13.515 ( 2.449 0.000 -1.141) 2.702 13.688 ( -4.799 0.000 -3.522) 5.953 13.783 ( -1.728 0.000 -2.552) 3.082 13.895 ( 0.649 0.000 -0.232) 0.689 13.895 ( -3.916 0.000 -2.292) 4.537 14.037 ( 3.122 0.000 0.662) 3.191 14.112 ( 7.542 0.000 0.692) 7.573 14.308 ( 3.662 0.000 0.373) 3.681 14.317 ( -0.251 0.000 -1.182) 1.208 14.397 ( -1.164 0.000 -0.717) 1.367 14.464 ( -0.228 0.000 -2.818) 2.827 14.574 ( 2.604 0.000 3.902) 4.691 14.603 ( -1.290 0.000 3.054) 3.315 14.854 ( 0.380 0.000 5.744) 5.756 14.989 ( 0.521 0.000 5.361) 5.387 17.786 ( 0.874 0.000 2.860) 2.991 17.845 ( -4.434 0.000 -1.567) 4.703 17.912 ( -0.170 0.000 1.911) 1.919 17.918 ( -1.271 0.000 -0.252) 1.296 18.067 ( -0.103 0.000 1.825) 1.828 18.093 ( -0.989 0.000 3.771) 3.898 18.177 ( -3.355 0.000 -0.768) 3.442 18.250 ( -0.380 0.000 -1.385) 1.436 18.302 ( 0.487 0.000 2.714) 2.758 18.343 ( 1.094 0.000 -3.129) 3.315 18.398 ( 2.649 0.000 1.012) 2.836 18.539 ( 0.905 0.000 -4.395) 4.487 18.988 ( -1.708 0.000 0.413) 1.757 19.168 ( 0.571 0.000 -2.827) 2.884 19.248 ( 1.062 0.000 1.160) 1.573 19.254 ( -0.032 0.000 -0.907) 0.908 19.922 ( -0.494 0.000 3.390) 3.425 20.009 ( -0.107 0.000 0.719) 0.727 20.310 ( 0.852 0.000 -6.852) 6.905 20.580 ( 0.047 0.000 0.888) 0.889 20.581 ( 1.310 0.000 -8.043) 8.149 20.700 ( -0.140 0.000 -0.978) 0.988 20.890 ( -0.066 0.000 -1.859) 1.861 20.929 ( 0.248 0.000 -0.979) 1.010 21.347 ( -0.058 0.000 2.973) 2.974 21.590 ( -3.246 0.000 -1.412) 3.540 21.617 ( 0.264 0.000 -1.885) 1.904 21.634 ( -0.657 0.000 -4.704) 4.750 21.759 ( 3.763 0.000 0.213) 3.769 21.780 ( 4.307 0.000 0.931) 4.406 21.949 ( 1.116 0.000 -8.658) 8.730 21.962 ( 1.683 0.000 -0.517) 1.761 24.699 ( 0.629 0.000 3.630) 3.684 24.764 ( -0.904 0.000 2.084) 2.272 24.828 ( -0.614 0.000 1.504) 1.625 24.892 ( -1.884 0.000 1.885) 2.665 24.927 ( -0.719 0.000 -0.460) 0.853 25.001 ( 1.021 0.000 -0.073) 1.024 25.110 ( 1.298 0.000 3.303) 3.549 25.134 ( 0.008 0.000 -0.269) 0.270 28.800 ( -1.809 0.000 -0.389) 1.850 28.818 ( 0.549 0.000 -0.465) 0.719 28.837 ( 0.341 0.000 -0.869) 0.933 28.876 ( 0.256 0.000 -1.306) 1.330 29.086 ( 0.809 0.000 -0.145) 0.822 29.111 ( 0.020 0.000 -0.465) 0.466 29.147 ( 0.296 0.000 -1.543) 1.571 29.187 ( 0.427 0.000 -1.997) 2.042 34.879 ( -0.168 0.000 0.727) 0.746 34.954 ( 1.170 0.000 9.410) 9.482 35.037 ( -5.882 0.000 3.022) 6.613 35.063 ( -9.174 0.000 -1.053) 9.234 35.162 ( -13.443 0.000 -4.378) 14.138 35.436 ( 0.107 0.000 7.120) 7.121 35.529 ( 9.083 0.000 -0.470) 9.095 37.122 ( -13.196 0.000 -16.665) 21.257 38.050 ( -1.626 0.000 6.069) 6.283 38.066 ( -3.249 0.000 1.412) 3.543 38.183 ( 2.678 0.000 4.156) 4.945 38.261 ( 0.135 0.000 1.538) 1.544 38.422 ( 3.395 0.000 0.016) 3.395 38.586 ( -1.034 0.000 2.383) 2.598 38.606 ( 1.864 0.000 -4.210) 4.604 38.901 ( 1.722 0.000 -4.671) 4.979 39.260 ( 1.322 0.000 -0.996) 1.655 39.341 ( 12.139 0.000 -2.537) 12.401 39.482 ( -11.378 0.000 -4.183) 12.123 39.531 ( 11.651 0.000 -2.879) 12.001 39.688 ( -8.341 0.000 -4.096) 9.293 39.726 ( 5.537 0.000 1.284) 5.684 39.731 ( -4.870 0.000 -4.180) 6.417 40.041 ( -22.017 0.000 2.617) 22.172 40.924 ( -0.420 0.000 6.176) 6.190 41.120 ( 3.182 0.000 13.033) 13.416 41.312 ( 2.385 0.000 3.396) 4.150 41.413 ( 15.922 0.000 1.055) 15.957 41.547 ( -14.644 0.000 -1.331) 14.705 41.678 ( -7.949 0.000 7.623) 11.013 42.255 ( 30.626 0.000 -18.532) 35.797 43.217 ( -3.633 0.000 -19.808) 20.139 ======================= Grid point 48 (25/57) ======================= q-point: (-0.25 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.488 ( -20.906 0.000 26.009) 33.369 1.772 ( 2.175 0.000 42.214) 42.270 2.981 ( -13.361 0.000 28.862) 31.804 3.012 ( 24.871 0.000 21.775) 33.056 3.054 ( 16.471 0.000 4.528) 17.082 3.154 ( -23.974 0.000 25.737) 35.173 3.287 ( 5.067 0.000 11.609) 12.667 3.340 ( 3.082 0.000 24.202) 24.397 3.631 ( 7.729 0.000 -0.935) 7.785 3.752 ( -3.375 0.000 -2.490) 4.194 3.823 ( -10.826 0.000 6.629) 12.695 3.947 ( 0.542 0.000 1.713) 1.796 3.979 ( -14.722 0.000 9.765) 17.666 4.023 ( 2.014 0.000 0.331) 2.041 4.074 ( -1.683 0.000 -5.298) 5.558 4.315 ( 0.125 0.000 5.243) 5.244 4.600 ( 1.179 0.000 7.903) 7.990 4.708 ( -7.424 0.000 6.817) 10.079 4.773 ( 3.762 0.000 4.002) 5.493 4.845 ( -4.079 0.000 7.363) 8.417 4.940 ( 7.394 0.000 -2.264) 7.733 5.043 ( -1.098 0.000 8.211) 8.284 5.049 ( 6.440 0.000 4.335) 7.763 5.171 ( -3.004 0.000 9.697) 10.152 5.277 ( -5.056 0.000 0.904) 5.136 5.305 ( -11.287 0.000 6.137) 12.847 5.414 ( -9.731 0.000 1.862) 9.908 5.455 ( -8.032 0.000 -0.226) 8.035 5.554 ( -1.898 0.000 1.118) 2.203 5.621 ( 0.013 0.000 -2.306) 2.306 5.628 ( 6.493 0.000 1.946) 6.778 5.739 ( -6.617 0.000 4.915) 8.243 5.853 ( -0.401 0.000 6.474) 6.487 5.869 ( -7.036 0.000 1.309) 7.157 5.944 ( -1.850 0.000 -2.998) 3.523 6.002 ( -1.521 0.000 9.506) 9.627 6.014 ( -1.565 0.000 -3.149) 3.517 6.087 ( 2.720 0.000 3.215) 4.211 6.093 ( 2.627 0.000 3.958) 4.751 6.228 ( 4.935 0.000 -2.990) 5.770 6.328 ( -9.115 0.000 4.671) 10.242 6.348 ( 4.363 0.000 -7.175) 8.398 6.434 ( 0.590 0.000 1.000) 1.161 6.551 ( -3.077 0.000 -0.410) 3.104 6.597 ( 0.595 0.000 5.711) 5.742 6.647 ( -9.117 0.000 -12.812) 15.725 6.735 ( -0.300 0.000 -0.529) 0.608 6.793 ( -6.323 0.000 -3.089) 7.037 6.820 ( 6.210 0.000 3.672) 7.215 6.888 ( -0.244 0.000 3.993) 4.000 7.024 ( 1.022 0.000 1.293) 1.648 7.036 ( 3.824 0.000 -0.036) 3.825 7.091 ( -5.454 0.000 0.168) 5.456 7.169 ( -2.193 0.000 -2.170) 3.085 7.199 ( -4.909 0.000 3.302) 5.916 7.286 ( 0.749 0.000 7.231) 7.269 7.397 ( 11.290 0.000 -5.319) 12.480 7.432 ( 5.651 0.000 4.035) 6.943 7.604 ( -4.862 0.000 -1.464) 5.078 7.648 ( 4.945 0.000 -5.362) 7.294 7.785 ( 3.634 0.000 5.661) 6.727 7.810 ( 10.858 0.000 3.379) 11.372 7.937 ( 10.069 0.000 4.826) 11.165 7.969 ( -4.293 0.000 -1.934) 4.708 8.079 ( -0.369 0.000 -6.441) 6.451 8.091 ( 1.816 0.000 -0.780) 1.976 8.216 ( -4.367 0.000 6.637) 7.945 8.278 ( 5.841 0.000 1.495) 6.029 8.318 ( -4.632 0.000 2.847) 5.436 8.446 ( 5.876 0.000 -4.838) 7.612 8.501 ( -2.295 0.000 4.851) 5.366 8.586 ( 4.645 0.000 -3.673) 5.922 8.713 ( -6.966 0.000 -2.086) 7.272 8.725 ( 4.271 0.000 0.449) 4.294 8.766 ( 0.779 0.000 0.919) 1.205 8.818 ( -0.175 0.000 -0.851) 0.868 8.857 ( -2.104 0.000 -1.702) 2.706 9.039 ( -0.040 0.000 -4.359) 4.359 9.082 ( -0.338 0.000 5.979) 5.988 9.160 ( 0.316 0.000 0.753) 0.816 9.210 ( -4.603 0.000 -0.498) 4.630 9.224 ( 4.610 0.000 -0.985) 4.714 9.274 ( -0.814 0.000 0.395) 0.905 9.312 ( 3.024 0.000 0.431) 3.055 9.359 ( -1.906 0.000 -2.978) 3.535 9.464 ( -1.409 0.000 2.227) 2.635 9.628 ( 0.655 0.000 0.208) 0.687 9.688 ( -1.883 0.000 3.163) 3.682 9.711 ( 4.375 0.000 -5.924) 7.364 9.862 ( 4.517 0.000 -2.579) 5.201 9.959 ( 1.575 0.000 1.505) 2.179 10.040 ( -0.456 0.000 0.528) 0.698 10.052 ( 5.983 0.000 4.017) 7.207 10.086 ( 0.470 0.000 2.288) 2.336 10.286 ( 0.386 0.000 13.354) 13.360 10.373 ( -1.040 0.000 -1.998) 2.252 10.495 ( 7.842 0.000 4.430) 9.007 10.670 ( 2.715 0.000 1.179) 2.960 10.798 ( 1.734 0.000 2.875) 3.358 10.803 ( 4.225 0.000 -4.101) 5.888 10.891 ( 2.879 0.000 6.766) 7.353 11.046 ( -1.554 0.000 0.057) 1.555 11.076 ( -16.302 0.000 -4.737) 16.976 11.096 ( -6.097 0.000 -2.481) 6.582 11.239 ( -3.167 0.000 -1.419) 3.471 11.257 ( -6.029 0.000 -0.438) 6.045 11.456 ( -1.018 0.000 0.560) 1.161 11.647 ( -0.025 0.000 -8.231) 8.231 11.738 ( -1.773 0.000 0.077) 1.775 11.800 ( -2.063 0.000 -5.201) 5.596 11.803 ( 1.600 0.000 0.442) 1.660 11.904 ( -2.391 0.000 7.460) 7.834 12.051 ( -2.026 0.000 -1.474) 2.505 12.261 ( 0.173 0.000 -4.600) 4.603 12.334 ( 2.322 0.000 -3.033) 3.820 12.485 ( 3.586 0.000 8.289) 9.032 12.720 ( 3.228 0.000 -6.893) 7.611 12.921 ( 4.706 0.000 -1.354) 4.897 12.957 ( -1.808 0.000 -2.835) 3.362 13.245 ( -8.222 0.000 -12.202) 14.714 13.482 ( 3.054 0.000 -1.624) 3.459 13.496 ( -1.533 0.000 -2.506) 2.937 13.668 ( 2.708 0.000 -1.079) 2.915 13.773 ( -1.814 0.000 -0.399) 1.858 13.794 ( -1.255 0.000 1.845) 2.232 13.935 ( 0.445 0.000 -1.429) 1.497 14.096 ( 1.803 0.000 0.797) 1.971 14.118 ( -5.192 0.000 -6.478) 8.302 14.299 ( -3.417 0.000 -4.278) 5.475 14.320 ( 3.086 0.000 -1.141) 3.290 14.365 ( -0.831 0.000 -4.637) 4.711 14.403 ( -3.897 0.000 -2.592) 4.681 14.594 ( -1.971 0.000 0.552) 2.047 14.636 ( 1.056 0.000 3.494) 3.650 14.862 ( -1.639 0.000 4.731) 5.007 15.005 ( -1.233 0.000 5.176) 5.321 17.844 ( 4.499 0.000 6.584) 7.974 17.885 ( 2.897 0.000 6.375) 7.003 17.916 ( 1.661 0.000 3.851) 4.194 17.974 ( 3.007 0.000 4.439) 5.362 18.042 ( -2.910 0.000 0.527) 2.957 18.112 ( 3.860 0.000 3.364) 5.120 18.151 ( 0.822 0.000 2.171) 2.321 18.236 ( -0.578 0.000 -2.070) 2.149 18.287 ( -2.225 0.000 -0.675) 2.325 18.363 ( 1.758 0.000 -3.246) 3.692 18.426 ( -0.020 0.000 -1.912) 1.912 18.498 ( -2.686 0.000 -6.520) 7.052 18.952 ( -1.307 0.000 0.806) 1.535 19.167 ( 0.514 0.000 -2.915) 2.960 19.251 ( 0.140 0.000 -0.771) 0.784 19.264 ( -0.044 0.000 -0.638) 0.640 19.922 ( -0.873 0.000 3.265) 3.380 20.013 ( 0.098 0.000 0.795) 0.801 20.301 ( 1.017 0.000 -5.675) 5.766 20.573 ( 1.387 0.000 -8.203) 8.320 20.583 ( -0.197 0.000 0.907) 0.928 20.700 ( 0.453 0.000 -0.716) 0.847 20.886 ( 0.436 0.000 -1.631) 1.688 20.930 ( 0.228 0.000 -0.838) 0.869 21.357 ( -0.409 0.000 2.599) 2.631 21.551 ( -0.296 0.000 1.329) 1.362 21.613 ( 0.318 0.000 -2.434) 2.455 21.639 ( 2.504 0.000 -3.798) 4.549 21.813 ( 1.341 0.000 -2.038) 2.440 21.865 ( 3.238 0.000 -0.243) 3.248 21.931 ( 1.157 0.000 -9.287) 9.358 21.982 ( -0.012 0.000 -3.870) 3.870 24.688 ( -2.161 0.000 3.155) 3.824 24.805 ( -1.440 0.000 0.914) 1.706 24.807 ( 2.731 0.000 3.948) 4.800 24.860 ( -1.464 0.000 1.711) 2.252 24.924 ( 0.293 0.000 -0.728) 0.784 25.026 ( 1.118 0.000 0.272) 1.151 25.115 ( -1.908 0.000 0.011) 1.908 25.134 ( -0.092 0.000 0.364) 0.375 28.765 ( -1.140 0.000 0.364) 1.196 28.827 ( 0.609 0.000 -0.416) 0.737 28.840 ( 0.247 0.000 -0.885) 0.918 28.873 ( 0.104 0.000 -1.376) 1.380 29.104 ( 0.334 0.000 -0.494) 0.596 29.108 ( 0.290 0.000 -0.323) 0.434 29.148 ( 0.411 0.000 -1.561) 1.614 29.187 ( 0.404 0.000 -1.973) 2.014 34.878 ( -0.453 0.000 1.517) 1.583 34.954 ( -3.246 0.000 2.526) 4.113 34.999 ( -1.661 0.000 0.937) 1.907 35.047 ( 3.274 0.000 13.550) 13.940 35.198 ( 26.046 0.000 17.632) 31.453 35.413 ( -4.315 0.000 3.495) 5.553 35.642 ( 2.899 0.000 -5.158) 5.917 36.657 ( -24.342 0.000 -10.410) 26.475 38.019 ( -1.777 0.000 2.067) 2.726 38.072 ( 1.261 0.000 4.540) 4.712 38.213 ( -0.727 0.000 2.893) 2.983 38.279 ( 0.173 0.000 1.879) 1.887 38.411 ( -3.582 0.000 -2.081) 4.143 38.590 ( 0.270 0.000 3.079) 3.091 38.592 ( -1.137 0.000 -1.486) 1.871 38.964 ( 5.354 0.000 -8.260) 9.843 39.166 ( -6.921 0.000 0.520) 6.940 39.250 ( -7.647 0.000 -5.812) 9.604 39.524 ( -2.434 0.000 -7.386) 7.777 39.640 ( 13.798 0.000 0.854) 13.824 39.647 ( -9.280 0.000 -4.789) 10.443 39.844 ( 15.384 0.000 1.719) 15.480 39.888 ( 8.017 0.000 4.426) 9.158 39.975 ( 23.285 0.000 -1.236) 23.318 40.777 ( -13.198 0.000 4.338) 13.892 41.171 ( -19.850 0.000 -1.672) 19.920 41.175 ( -4.737 0.000 10.695) 11.697 41.359 ( -1.350 0.000 3.846) 4.076 41.648 ( 3.224 0.000 9.257) 9.803 41.689 ( 9.282 0.000 -1.063) 9.343 42.658 ( 6.132 0.000 -17.549) 18.589 42.858 ( -13.988 0.000 -21.336) 25.512 ======================= Grid point 49 (26/57) ======================= q-point: ( 0.00 0.20 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 91 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.763 ( -0.086 31.911 25.197) 40.659 2.084 ( -11.710 15.873 38.515) 43.273 2.935 ( -7.358 -7.589 14.787) 18.176 3.078 ( 18.490 9.496 37.657) 43.013 3.215 ( -12.396 4.640 5.848) 14.470 3.252 ( 3.256 -9.638 10.851) 14.874 3.435 ( -9.431 8.747 8.807) 15.589 3.490 ( -0.140 -6.429 10.213) 12.069 3.618 ( 2.063 1.887 5.356) 6.042 3.705 ( -2.036 -0.633 -2.682) 3.426 3.772 ( -3.704 2.870 -1.372) 4.882 3.861 ( -2.635 0.619 4.590) 5.329 3.939 ( 3.786 -1.619 -1.132) 4.270 4.058 ( 10.252 4.898 12.953) 17.231 4.259 ( 3.163 2.165 5.803) 6.954 4.481 ( 6.025 -0.268 6.935) 9.191 4.566 ( -5.107 -10.007 3.520) 11.774 4.622 ( 1.758 3.555 10.473) 11.198 4.763 ( 0.887 -14.984 1.269) 15.064 4.904 ( -2.503 0.778 4.722) 5.401 4.914 ( -0.950 -5.811 4.743) 7.561 5.007 ( -1.057 2.775 5.976) 6.673 5.080 ( -5.360 4.619 7.018) 9.965 5.111 ( -9.832 2.946 8.314) 13.209 5.170 ( 6.452 -11.340 2.648) 13.313 5.216 ( 2.702 1.412 1.409) 3.359 5.279 ( 2.675 -8.038 5.261) 9.972 5.340 ( -0.127 0.376 4.512) 4.529 5.499 ( 7.091 -4.404 -1.331) 8.453 5.604 ( -3.370 -3.975 7.202) 8.890 5.624 ( -0.493 -1.888 0.060) 1.952 5.671 ( -2.180 -3.585 5.740) 7.110 5.732 ( -7.026 -0.935 -0.488) 7.104 5.770 ( -4.144 0.114 2.211) 4.698 5.852 ( -4.088 -1.661 2.316) 4.984 5.906 ( -4.061 -4.739 4.606) 7.757 5.934 ( -0.058 -0.111 -2.792) 2.795 6.009 ( 2.672 -5.582 2.753) 6.773 6.116 ( -0.392 -0.760 1.957) 2.136 6.183 ( -6.087 -4.695 -3.600) 8.488 6.278 ( -3.997 -0.729 -1.968) 4.515 6.346 ( -0.129 -0.365 -0.664) 0.768 6.427 ( 4.818 -1.970 7.044) 8.759 6.507 ( -0.522 -1.851 -1.728) 2.585 6.538 ( -5.924 -2.713 -2.610) 7.019 6.585 ( 2.401 -3.084 0.959) 4.025 6.630 ( -2.693 -0.980 4.098) 5.001 6.650 ( -2.970 0.116 2.287) 3.750 6.841 ( -6.199 1.821 -1.567) 6.648 6.913 ( -3.256 1.737 0.858) 3.788 6.959 ( -3.248 4.256 -3.668) 6.490 6.985 ( -6.321 1.471 1.243) 6.608 7.084 ( -0.711 1.381 0.772) 1.735 7.198 ( -1.132 2.724 5.178) 5.960 7.266 ( 2.396 3.088 -2.668) 4.733 7.437 ( 0.225 -5.369 -0.008) 5.374 7.460 ( 6.040 -0.639 6.437) 8.850 7.560 ( -0.651 2.944 0.751) 3.107 7.616 ( -1.191 -3.004 4.768) 5.761 7.736 ( 1.293 3.748 0.884) 4.062 7.878 ( 1.977 1.419 0.740) 2.544 7.897 ( 3.065 6.529 -2.955) 7.794 7.969 ( -2.939 -0.157 -0.478) 2.981 7.997 ( -3.148 4.555 -0.371) 5.549 8.108 ( 1.501 -2.792 2.581) 4.088 8.188 ( 0.155 7.866 5.692) 9.711 8.249 ( 0.365 1.775 -0.368) 1.849 8.342 ( 4.934 1.428 -0.643) 5.176 8.393 ( -0.538 6.457 -0.324) 6.488 8.409 ( -6.618 4.045 -3.570) 8.538 8.452 ( -5.970 5.251 -0.776) 7.989 8.537 ( -2.627 -2.025 -3.647) 4.930 8.608 ( -2.869 -3.432 0.960) 4.575 8.690 ( -2.228 2.332 -0.689) 3.298 8.738 ( 2.356 -1.487 -4.062) 4.925 8.886 ( 5.848 0.214 -2.708) 6.448 8.955 ( -3.189 3.491 -0.717) 4.782 8.971 ( -0.794 -0.233 -0.133) 0.838 9.042 ( -2.148 -1.960 -1.393) 3.224 9.139 ( 2.647 -1.528 0.468) 3.092 9.196 ( -2.002 -1.808 -3.288) 4.253 9.264 ( 0.312 -3.269 -2.277) 3.996 9.308 ( 0.741 0.458 1.304) 1.569 9.367 ( 3.026 7.794 -5.477) 9.995 9.427 ( 6.775 -0.354 1.919) 7.051 9.466 ( 4.015 -0.636 6.684) 7.823 9.573 ( 0.439 -4.695 0.116) 4.717 9.687 ( -0.323 -0.460 2.699) 2.757 9.767 ( 2.938 -1.776 -0.595) 3.484 9.878 ( -2.502 -1.801 -1.535) 3.444 9.947 ( 2.961 -3.189 -6.231) 7.600 10.065 ( -2.225 -2.555 4.719) 5.809 10.126 ( -0.840 0.306 -2.693) 2.838 10.162 ( 1.266 6.969 -1.758) 7.298 10.333 ( -1.507 2.783 8.812) 9.363 10.379 ( -3.501 2.043 7.913) 8.891 10.563 ( -6.117 1.187 -0.653) 6.266 10.661 ( -6.206 1.971 -0.926) 6.577 10.790 ( -0.139 -1.552 -1.407) 2.100 10.826 ( -0.712 -3.531 -4.012) 5.392 10.886 ( -0.694 0.302 -1.204) 1.422 10.957 ( -2.559 1.691 4.544) 5.483 11.031 ( 0.104 -1.116 -1.248) 1.677 11.086 ( 8.871 1.686 -0.883) 9.073 11.158 ( 0.803 -2.673 -2.341) 3.643 11.220 ( 6.570 0.131 2.592) 7.064 11.405 ( 2.398 -9.145 4.726) 10.570 11.520 ( 0.682 -11.469 2.908) 11.852 11.667 ( 4.275 2.259 -9.295) 10.477 11.770 ( 0.815 3.399 -6.778) 7.626 11.940 ( 4.693 -4.846 3.626) 7.658 12.004 ( -0.040 7.660 2.062) 7.933 12.112 ( -0.601 6.669 5.040) 8.381 12.186 ( -0.573 3.944 -9.887) 10.660 12.507 ( 3.760 4.665 -0.944) 6.065 12.583 ( 6.871 -1.377 5.850) 9.129 12.738 ( -6.396 -2.009 -6.535) 9.362 12.808 ( -1.837 -3.059 1.249) 3.781 13.009 ( 0.799 0.844 -4.004) 4.170 13.049 ( -1.720 1.847 -4.456) 5.121 13.520 ( -0.541 1.598 -1.361) 2.168 13.596 ( 5.579 -1.128 0.605) 5.724 13.656 ( 0.741 0.551 0.124) 0.932 13.715 ( 0.057 1.755 0.082) 1.758 13.886 ( 4.766 -1.119 1.722) 5.190 13.922 ( 0.884 -0.564 0.715) 1.269 14.009 ( -2.314 0.891 -6.169) 6.648 14.080 ( -4.006 -0.839 -6.807) 7.943 14.232 ( 0.898 1.249 1.569) 2.198 14.286 ( -4.413 -0.272 -3.530) 5.658 14.312 ( -3.039 -0.121 -2.257) 3.787 14.373 ( 3.111 -2.090 -0.346) 3.763 14.560 ( -0.794 0.577 1.155) 1.515 14.628 ( -0.357 -2.210 4.890) 5.379 14.861 ( -3.145 2.444 3.875) 5.557 14.969 ( -2.956 -1.160 4.191) 5.258 17.874 ( -3.309 0.221 0.919) 3.442 17.943 ( -0.392 -1.474 2.623) 3.034 17.980 ( 1.333 -0.126 3.703) 3.938 18.012 ( 1.609 0.017 3.706) 4.040 18.065 ( 2.304 1.779 3.040) 4.209 18.159 ( -2.174 -1.289 -4.351) 5.032 18.193 ( 1.860 -0.871 3.332) 3.914 18.211 ( 0.646 -2.890 0.438) 2.993 18.278 ( 2.654 -1.274 1.534) 3.319 18.341 ( 1.629 -1.447 -1.174) 2.475 18.402 ( -2.935 0.884 -5.075) 5.929 18.423 ( -2.285 1.430 -3.333) 4.287 18.975 ( 1.407 1.109 2.093) 2.754 19.120 ( 0.200 -3.614 -1.048) 3.768 19.270 ( -0.049 2.044 -0.557) 2.119 19.280 ( 0.157 2.105 -2.281) 3.108 19.999 ( -0.480 6.030 0.071) 6.050 20.092 ( 0.436 8.858 -2.447) 9.200 20.282 ( 1.586 -2.682 -5.339) 6.182 20.529 ( 1.772 -4.154 -6.705) 8.084 20.603 ( -0.003 1.838 -0.175) 1.847 20.700 ( 0.433 -0.876 -0.936) 1.353 20.901 ( 0.544 0.751 -1.525) 1.785 20.928 ( 0.179 -0.170 -0.760) 0.799 21.385 ( -0.750 3.408 0.251) 3.499 21.561 ( 1.885 -2.265 0.091) 2.949 21.641 ( 1.957 1.000 -0.919) 2.382 21.682 ( 2.110 0.766 -3.233) 3.936 21.765 ( -2.856 -0.633 -3.091) 4.256 21.873 ( -6.401 1.680 -7.037) 9.661 21.899 ( 2.674 -1.838 -2.698) 4.219 21.953 ( 0.121 0.423 -4.769) 4.789 24.678 ( -1.169 1.130 3.325) 3.701 24.776 ( -0.792 -1.497 1.626) 2.348 24.838 ( -0.988 1.534 1.860) 2.606 24.888 ( 1.864 -0.622 2.921) 3.520 24.935 ( 0.777 0.378 -0.133) 0.874 25.000 ( -1.517 -2.215 0.662) 2.765 25.083 ( -1.554 1.804 0.432) 2.420 25.134 ( -0.093 -0.082 0.346) 0.367 28.769 ( 0.843 0.394 0.868) 1.272 28.820 ( 0.541 -1.123 -0.240) 1.270 28.852 ( -0.089 0.612 -1.106) 1.267 28.870 ( 0.233 -0.109 -1.312) 1.337 29.097 ( -0.466 0.230 -0.612) 0.803 29.114 ( 0.064 -0.217 -0.676) 0.713 29.155 ( 0.369 0.581 -1.508) 1.658 29.185 ( 0.413 -0.229 -1.922) 1.979 34.890 ( -0.965 1.543 4.155) 4.536 34.937 ( -0.688 2.036 0.408) 2.187 35.036 ( 3.671 -3.298 5.123) 7.113 35.218 ( -2.736 -6.142 1.445) 6.877 35.280 ( 9.796 6.789 12.510) 17.278 35.659 ( -8.509 7.774 -8.166) 14.125 35.978 ( 3.045 -6.907 -5.930) 9.599 36.192 ( 25.503 -13.314 -0.805) 28.781 38.025 ( 0.356 0.400 3.109) 3.155 38.127 ( -2.135 -1.683 3.899) 4.753 38.190 ( 0.286 1.041 3.165) 3.344 38.264 ( -0.697 0.007 1.641) 1.783 38.317 ( -2.669 0.899 1.090) 3.020 38.522 ( -1.567 -3.465 -0.196) 3.808 38.628 ( -0.957 2.318 2.511) 3.549 38.970 ( 1.137 -7.257 -3.163) 7.998 39.063 ( -0.104 3.018 -5.318) 6.116 39.166 ( -0.626 1.963 -6.243) 6.574 39.445 ( -2.995 -1.982 -5.249) 6.360 39.472 ( -0.511 -0.857 -6.025) 6.107 39.860 ( 2.704 -0.308 6.906) 7.423 40.011 ( 1.150 -4.105 2.035) 4.724 40.206 ( 11.324 2.682 1.428) 11.725 40.425 ( 10.398 -7.180 3.077) 13.005 40.750 ( 22.435 4.448 -6.225) 23.703 40.821 ( -5.081 0.883 -4.984) 7.172 41.088 ( -9.884 4.335 4.030) 11.520 41.366 ( -5.116 -0.508 7.522) 9.112 41.511 ( -15.083 -6.332 4.308) 16.916 41.817 ( -25.410 -5.885 -1.185) 26.110 42.059 ( 2.782 13.658 1.010) 13.975 42.941 ( 13.101 -10.244 -10.085) 19.450 ======================= Grid point 50 (27/57) ======================= q-point: ( 0.25 0.20 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.030 ( 14.971 17.686 24.639) 33.823 2.134 ( 7.005 23.969 25.761) 35.878 2.674 ( -26.592 9.440 4.941) 28.647 2.884 ( -27.615 6.943 -8.783) 29.799 2.979 ( -1.998 -8.696 5.979) 10.740 3.156 ( -15.835 -5.311 -2.740) 16.925 3.449 ( -6.780 1.432 -1.941) 7.196 3.538 ( -3.725 -0.095 -12.091) 12.652 3.612 ( 0.666 -5.526 3.517) 6.584 3.700 ( 5.033 8.910 3.560) 10.835 3.728 ( -6.152 1.421 3.013) 6.996 4.103 ( 21.102 -3.188 18.656) 28.346 4.153 ( 6.363 -14.153 13.687) 20.691 4.205 ( 7.817 -6.011 15.174) 18.097 4.468 ( 5.167 4.428 9.510) 11.694 4.528 ( 1.646 -6.278 12.521) 14.103 4.556 ( -1.207 0.826 10.690) 10.790 4.721 ( 0.876 4.146 9.911) 10.779 4.740 ( -8.390 5.817 6.171) 11.929 4.813 ( 3.327 -4.444 3.605) 6.620 4.928 ( -4.632 4.646 7.193) 9.735 4.996 ( -2.669 1.744 9.037) 9.583 5.013 ( -2.969 -0.037 2.799) 4.081 5.130 ( 4.583 1.899 6.567) 8.230 5.225 ( 0.980 -6.323 4.943) 8.086 5.292 ( -11.009 4.123 9.332) 15.009 5.367 ( -3.027 -2.823 6.456) 7.668 5.407 ( 5.280 -1.732 1.759) 5.829 5.511 ( 3.905 -2.706 7.214) 8.638 5.578 ( 0.996 1.201 2.027) 2.559 5.629 ( 3.912 -1.491 3.639) 5.547 5.696 ( -0.390 -4.499 3.228) 5.551 5.734 ( -3.093 -1.695 4.647) 5.834 5.754 ( 0.165 -1.255 3.376) 3.606 5.841 ( 1.416 -6.159 6.432) 9.017 5.857 ( -2.319 2.676 6.366) 7.284 5.935 ( 0.186 -1.145 3.458) 3.647 5.986 ( 3.009 -2.000 -2.035) 4.147 6.061 ( -5.283 -5.437 2.474) 7.975 6.103 ( 2.868 -0.643 5.310) 6.069 6.206 ( -0.607 -11.764 -2.986) 12.152 6.338 ( -4.628 -4.411 -1.505) 6.568 6.480 ( -1.494 2.371 -1.308) 3.093 6.529 ( 5.902 -9.419 4.830) 12.120 6.542 ( -2.861 -0.360 0.297) 2.899 6.582 ( -0.506 -2.090 -2.174) 3.058 6.695 ( 6.636 -8.599 9.826) 14.647 6.718 ( 1.733 0.271 -0.102) 1.757 6.750 ( 6.914 -1.150 1.649) 7.201 6.773 ( -7.535 -0.417 -4.608) 8.842 6.894 ( 0.634 4.143 4.545) 6.183 6.983 ( 2.226 -2.396 4.327) 5.424 7.075 ( -0.952 0.970 1.040) 1.711 7.166 ( -7.799 2.245 1.468) 8.247 7.228 ( -0.111 1.845 3.648) 4.089 7.335 ( -3.047 -5.469 -2.411) 6.708 7.534 ( -2.193 1.898 1.771) 3.399 7.579 ( -2.161 2.285 3.454) 4.671 7.591 ( -0.858 2.839 0.711) 3.050 7.698 ( -4.458 -1.879 -1.653) 5.113 7.851 ( 0.611 5.216 1.993) 5.617 7.875 ( -8.227 10.351 0.333) 13.227 7.891 ( -2.171 6.769 0.231) 7.112 8.025 ( 5.245 -2.066 -3.495) 6.633 8.052 ( -7.791 5.602 -0.494) 9.609 8.119 ( -6.086 -2.806 2.692) 7.222 8.201 ( -2.277 3.103 5.583) 6.781 8.274 ( -0.683 3.826 0.639) 3.939 8.319 ( -0.612 3.195 -3.922) 5.096 8.426 ( 1.595 7.409 -1.018) 7.647 8.478 ( -3.396 0.191 -3.307) 4.745 8.536 ( -0.916 -0.878 -0.691) 1.444 8.650 ( 5.190 2.592 -0.994) 5.886 8.657 ( 3.944 1.717 5.567) 7.035 8.775 ( 2.711 -4.035 -5.824) 7.586 8.910 ( 1.102 0.377 4.160) 4.320 8.970 ( -0.406 2.309 -1.548) 2.810 8.998 ( 3.421 0.867 -2.350) 4.240 9.047 ( 5.450 -3.153 -4.349) 7.653 9.145 ( -1.735 -1.146 -2.266) 3.076 9.185 ( 0.271 -2.169 -0.471) 2.236 9.211 ( -3.614 -0.293 -1.462) 3.910 9.320 ( 0.538 1.136 -3.945) 4.141 9.341 ( -3.483 7.686 -4.171) 9.413 9.508 ( -1.536 0.083 5.134) 5.359 9.538 ( 0.266 -0.508 -0.216) 0.613 9.607 ( 2.428 -0.149 1.485) 2.850 9.699 ( 2.126 -2.142 -2.150) 3.705 9.742 ( -4.547 -2.407 0.327) 5.155 9.828 ( -0.885 -0.957 1.413) 1.922 9.890 ( -7.913 -2.787 -8.026) 11.610 10.009 ( -0.583 -6.178 -2.772) 6.796 10.042 ( -4.633 4.552 1.824) 6.746 10.191 ( 1.225 0.859 5.034) 5.252 10.285 ( -2.985 6.367 -0.300) 7.038 10.342 ( 0.009 8.440 1.340) 8.546 10.459 ( -2.597 -1.285 8.294) 8.786 10.606 ( -2.436 0.021 4.917) 5.487 10.760 ( -0.894 -0.514 -2.388) 2.601 10.789 ( -0.983 -2.117 -3.638) 4.323 10.884 ( -1.096 2.925 0.087) 3.124 10.962 ( 2.078 -2.177 1.580) 3.399 11.038 ( 4.122 1.948 0.956) 4.658 11.219 ( 3.448 -3.566 0.101) 4.961 11.276 ( 6.128 -4.439 -6.780) 10.160 11.347 ( 3.147 -6.146 -2.483) 7.338 11.519 ( 5.485 -6.119 -1.104) 8.292 11.548 ( -0.113 -11.920 4.127) 12.614 11.730 ( 4.815 3.130 -11.788) 13.112 11.756 ( 1.093 4.783 -7.202) 8.714 12.023 ( 1.274 5.621 7.503) 9.461 12.041 ( 1.107 -0.793 0.025) 1.361 12.092 ( -2.806 1.511 -11.657) 12.085 12.165 ( 3.143 3.717 1.516) 5.098 12.526 ( -8.788 -3.326 -1.277) 9.483 12.568 ( -0.720 -0.014 0.082) 0.724 12.670 ( 1.198 6.997 -4.818) 8.579 12.880 ( -2.819 2.420 -3.585) 5.163 12.962 ( 11.810 -1.463 8.279) 14.497 13.070 ( -0.959 -2.799 -3.103) 4.287 13.486 ( -0.065 0.957 -0.421) 1.048 13.551 ( -4.319 0.115 -0.220) 4.326 13.772 ( 3.186 -1.075 -1.277) 3.597 13.838 ( 4.936 0.387 -1.995) 5.338 13.856 ( -4.029 -0.592 -5.203) 6.607 13.899 ( 3.539 0.391 -3.134) 4.744 14.003 ( 1.342 2.709 -0.266) 3.035 14.077 ( -0.332 0.186 -2.174) 2.207 14.207 ( 2.250 1.361 1.616) 3.086 14.281 ( 0.456 -0.722 1.334) 1.584 14.332 ( 5.000 -0.657 4.735) 6.917 14.425 ( 2.167 -2.920 -1.473) 3.923 14.559 ( -0.290 1.343 2.628) 2.965 14.637 ( -1.588 -1.020 4.624) 4.994 14.833 ( -0.572 1.605 4.921) 5.208 14.942 ( -0.666 -1.595 4.624) 4.936 17.801 ( -3.091 0.146 0.069) 3.095 17.893 ( -2.676 -2.201 -0.396) 3.487 17.991 ( -4.226 -0.653 -3.426) 5.479 18.016 ( -4.688 -0.264 -5.705) 7.389 18.049 ( 1.009 0.262 2.642) 2.840 18.093 ( -0.730 0.802 3.041) 3.229 18.239 ( 1.164 -0.296 1.903) 2.250 18.259 ( -1.002 0.174 1.189) 1.565 18.274 ( -1.498 -0.628 -0.209) 1.638 18.309 ( 0.758 -1.251 0.862) 1.698 18.381 ( 0.472 1.684 -1.494) 2.300 18.467 ( 4.663 -2.295 -0.484) 5.220 19.005 ( 0.272 0.704 1.602) 1.771 19.125 ( 0.534 -3.194 -0.733) 3.320 19.267 ( 0.287 2.654 -0.665) 2.751 19.278 ( 0.209 1.906 -1.478) 2.421 19.997 ( 0.315 6.292 0.313) 6.307 20.071 ( -1.289 7.191 -1.104) 7.389 20.291 ( 1.546 -2.347 -6.615) 7.187 20.541 ( 1.817 -3.530 -6.397) 7.529 20.602 ( 0.051 1.669 -0.484) 1.738 20.700 ( -0.085 -1.034 -1.199) 1.585 20.900 ( 0.089 0.314 -1.650) 1.682 20.927 ( -0.020 -0.272 -0.932) 0.971 21.375 ( -0.313 3.334 1.086) 3.521 21.601 ( 1.794 -3.932 -2.162) 4.833 21.654 ( -1.859 0.205 -2.689) 3.275 21.684 ( -3.102 -0.523 -1.789) 3.619 21.704 ( 0.823 1.448 -1.404) 2.178 21.741 ( -0.849 2.098 -1.440) 2.683 21.930 ( 1.533 -0.587 -2.109) 2.672 21.952 ( 1.601 -0.158 -5.038) 5.288 24.679 ( 0.044 0.939 3.138) 3.276 24.769 ( -0.871 -1.703 2.147) 2.876 24.834 ( -0.192 1.677 1.709) 2.402 24.917 ( 0.112 0.149 1.663) 1.673 24.941 ( -0.846 -0.211 0.399) 0.959 24.981 ( -0.327 -1.587 0.957) 1.882 25.078 ( 0.669 1.546 2.412) 2.942 25.133 ( -0.020 -0.288 -0.122) 0.314 28.797 ( 1.317 0.290 0.319) 1.386 28.826 ( -0.034 -0.524 -0.497) 0.723 28.843 ( -0.212 0.527 -0.979) 1.132 28.872 ( 0.388 -0.254 -1.210) 1.296 29.085 ( -0.325 0.241 -0.476) 0.625 29.108 ( -0.160 -0.442 -0.597) 0.760 29.155 ( 0.222 0.610 -1.537) 1.668 29.185 ( 0.365 -0.230 -1.962) 2.009 34.895 ( -0.212 1.745 2.926) 3.413 34.932 ( -0.446 1.756 3.355) 3.813 35.122 ( -5.671 -3.797 1.221) 6.933 35.148 ( 4.480 -8.032 5.374) 10.652 35.370 ( -13.280 3.412 -9.367) 16.605 35.542 ( -20.515 -1.686 -9.368) 22.616 35.587 ( 11.619 16.972 9.560) 22.681 36.948 ( 24.424 -21.779 -17.017) 36.884 38.065 ( -3.003 -1.947 5.107) 6.236 38.082 ( 2.591 -1.263 4.015) 4.943 38.178 ( -3.807 2.846 2.252) 5.260 38.278 ( -1.185 0.892 1.136) 1.868 38.305 ( 3.564 0.715 3.165) 4.820 38.509 ( 0.837 -4.592 -0.700) 4.720 38.623 ( -0.182 2.321 2.276) 3.256 38.916 ( -3.756 -4.481 -1.421) 6.017 39.138 ( 8.001 0.998 -5.669) 9.856 39.200 ( 6.345 2.219 -4.877) 8.304 39.399 ( 1.790 -1.114 -5.255) 5.662 39.509 ( 4.162 -2.969 -2.563) 5.719 39.803 ( -10.078 -1.381 1.495) 10.282 39.849 ( -12.218 -3.446 0.035) 12.694 40.087 ( -16.201 4.831 -0.613) 16.917 40.436 ( -15.153 -9.908 2.766) 18.315 40.896 ( -0.523 9.966 0.999) 10.030 41.012 ( 0.955 -0.264 7.147) 7.216 41.086 ( 12.867 0.573 2.038) 13.040 41.342 ( -0.839 0.465 6.117) 6.192 41.518 ( 34.652 -4.293 -11.969) 36.911 41.628 ( -5.588 -6.189 4.355) 9.407 42.055 ( -4.154 17.066 0.816) 17.583 43.095 ( 5.692 -13.333 -10.987) 18.191 ======================= Grid point 51 (28/57) ======================= q-point: (-0.50 0.20 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 91 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.056 ( -25.142 8.725 6.655) 27.432 2.210 ( -24.047 24.370 12.762) 36.538 2.568 ( 24.896 12.720 16.966) 32.702 2.633 ( 16.102 17.465 20.020) 31.066 2.806 ( -6.879 -7.053 2.004) 10.054 3.154 ( 4.829 -8.147 9.721) 13.571 3.303 ( -3.116 0.688 3.520) 4.751 3.477 ( 3.010 -2.453 -6.451) 7.530 3.633 ( -1.816 -4.478 5.307) 7.177 3.729 ( 6.178 0.087 0.764) 6.226 3.883 ( 10.110 7.591 -1.811) 12.772 3.946 ( -16.193 -18.573 10.078) 26.622 4.174 ( -37.107 12.237 17.214) 42.696 4.206 ( -7.822 -10.364 7.439) 14.964 4.431 ( -15.474 4.500 2.867) 16.368 4.475 ( -6.817 0.509 10.307) 12.368 4.583 ( -6.310 11.957 9.340) 16.433 4.703 ( 1.464 -9.941 5.503) 11.457 4.756 ( 3.096 -1.917 3.877) 5.319 4.828 ( -2.368 -0.798 6.656) 7.110 4.923 ( -2.996 3.466 7.887) 9.121 4.946 ( 2.739 1.187 7.002) 7.612 4.985 ( -0.188 0.335 2.192) 2.225 5.111 ( 1.746 -2.680 7.778) 8.410 5.268 ( -3.992 0.175 8.529) 9.418 5.352 ( 3.073 -6.336 3.731) 7.969 5.419 ( 3.756 0.244 7.650) 8.526 5.507 ( -1.614 0.708 5.326) 5.610 5.568 ( 1.324 -4.108 0.274) 4.325 5.609 ( 2.746 -3.323 0.165) 4.314 5.670 ( -5.328 -6.003 0.697) 8.056 5.705 ( -1.882 -4.425 5.366) 7.205 5.782 ( -3.485 -0.327 3.064) 4.652 5.847 ( 9.322 -1.000 16.363) 18.859 5.902 ( -4.418 -3.353 2.643) 6.144 5.920 ( 3.569 -9.075 3.655) 10.414 5.924 ( 2.998 -2.911 3.840) 5.675 5.988 ( 4.021 -1.373 7.819) 8.899 6.034 ( 2.473 2.007 2.638) 4.136 6.179 ( 1.258 -2.357 0.234) 2.682 6.241 ( 1.037 -0.620 0.222) 1.228 6.308 ( 2.074 -1.088 2.303) 3.285 6.388 ( -1.337 -0.966 -1.145) 2.008 6.499 ( 4.057 1.128 2.018) 4.669 6.580 ( 0.909 -10.027 0.076) 10.068 6.679 ( -0.394 -0.883 -2.724) 2.891 6.712 ( 7.549 -4.706 -0.399) 8.904 6.783 ( -1.075 -0.922 5.327) 5.512 6.832 ( 3.410 -4.073 0.971) 5.401 6.885 ( 5.047 -0.919 3.059) 5.973 6.944 ( -0.755 1.875 0.799) 2.174 6.991 ( -5.911 0.084 2.519) 6.426 7.091 ( 3.696 -2.595 0.222) 4.521 7.096 ( 4.532 -2.546 3.316) 6.166 7.240 ( 0.066 2.624 -4.860) 5.524 7.334 ( -7.730 3.173 -2.231) 8.649 7.418 ( -1.865 -2.872 1.212) 3.632 7.486 ( 3.322 -1.485 7.070) 7.952 7.631 ( 0.356 3.084 -1.111) 3.297 7.708 ( -2.245 7.307 3.723) 8.503 7.773 ( -0.929 9.233 0.950) 9.328 7.844 ( -3.029 7.395 -5.156) 9.510 7.851 ( -1.301 0.971 3.725) 4.063 7.948 ( -1.337 4.619 3.381) 5.878 7.985 ( 4.080 1.978 -3.526) 5.744 8.196 ( 6.354 -8.236 5.338) 11.692 8.228 ( -1.483 6.409 5.477) 8.560 8.251 ( 2.619 0.738 0.477) 2.762 8.277 ( -2.869 5.777 -3.711) 7.442 8.397 ( -0.013 1.866 -6.220) 6.494 8.482 ( 1.742 0.762 1.550) 2.453 8.543 ( 2.853 -0.307 -1.077) 3.065 8.591 ( -2.323 6.164 2.797) 7.157 8.778 ( 1.984 -1.870 0.693) 2.814 8.855 ( 4.483 2.914 -0.758) 5.400 8.906 ( -4.881 2.556 -4.000) 6.808 8.949 ( -5.778 2.555 -0.865) 6.377 9.027 ( 4.756 0.353 5.087) 6.973 9.109 ( -1.052 1.581 -3.113) 3.647 9.141 ( -0.961 -0.350 -1.413) 1.745 9.156 ( 1.247 -3.530 -0.395) 3.764 9.189 ( 2.778 -3.766 -4.835) 6.729 9.260 ( -0.447 0.639 0.372) 0.864 9.323 ( 0.793 0.635 -3.759) 3.894 9.460 ( -3.063 2.980 0.574) 4.312 9.511 ( -4.167 -2.115 -5.199) 6.991 9.566 ( -3.276 -2.132 -2.111) 4.443 9.653 ( -1.747 -1.538 1.330) 2.680 9.736 ( 0.221 -0.406 -3.170) 3.203 9.779 ( 0.856 -5.489 -0.284) 5.563 9.877 ( 5.061 1.527 2.349) 5.784 9.968 ( -0.475 -1.729 -3.439) 3.878 10.050 ( 1.696 4.063 3.532) 5.644 10.205 ( -2.346 6.499 -0.092) 6.910 10.230 ( -1.375 -1.378 7.480) 7.729 10.421 ( 2.144 7.573 2.283) 8.195 10.434 ( 0.160 1.748 6.145) 6.391 10.606 ( 0.213 -1.763 4.870) 5.183 10.739 ( 0.418 -1.362 -3.876) 4.130 10.791 ( 1.885 -2.069 2.899) 4.030 10.862 ( -0.840 4.423 -1.024) 4.617 11.005 ( 1.449 -3.820 0.188) 4.090 11.146 ( 3.464 3.020 1.393) 4.802 11.229 ( -2.759 -8.540 -3.049) 9.479 11.297 ( -2.276 -3.327 -4.406) 5.972 11.318 ( -3.139 -3.206 -2.206) 5.000 11.506 ( -4.396 -7.521 0.883) 8.756 11.571 ( -0.029 -5.979 -1.693) 6.214 11.718 ( -0.629 1.243 -8.072) 8.191 11.763 ( 2.102 3.597 -9.625) 10.488 11.949 ( -4.942 0.554 -5.797) 7.638 12.035 ( -0.808 3.637 3.073) 4.829 12.115 ( 0.966 -2.764 4.455) 5.331 12.201 ( 2.085 4.917 -4.520) 6.997 12.417 ( -3.054 -0.046 5.932) 6.672 12.472 ( -3.609 5.401 -4.454) 7.876 12.732 ( 5.198 7.621 -4.158) 10.119 12.832 ( 0.511 -1.818 -2.893) 3.455 12.995 ( -3.645 -4.033 -4.174) 6.854 13.219 ( 6.627 -7.482 -1.032) 10.048 13.495 ( -0.784 1.412 -1.904) 2.497 13.520 ( 2.501 0.456 -0.578) 2.607 13.703 ( -4.256 1.539 -3.416) 5.670 13.774 ( -1.333 -0.906 -2.911) 3.328 13.893 ( -0.272 -0.121 -0.317) 0.435 13.902 ( -3.854 0.438 -2.738) 4.748 14.053 ( 2.830 1.733 0.381) 3.340 14.116 ( 6.465 0.494 0.232) 6.488 14.304 ( 0.278 -0.881 -0.702) 1.160 14.314 ( 3.788 -0.009 -0.200) 3.793 14.398 ( 0.263 -0.367 0.016) 0.451 14.443 ( -0.522 -1.291 -1.945) 2.392 14.578 ( -0.514 0.235 2.059) 2.135 14.611 ( 0.157 0.424 3.478) 3.507 14.871 ( 1.164 1.755 5.969) 6.329 14.976 ( 0.853 -1.319 5.899) 6.105 17.778 ( 0.398 -0.631 2.450) 2.561 17.821 ( -2.579 -1.914 0.203) 3.218 17.922 ( -0.967 0.494 0.034) 1.086 17.929 ( -0.905 1.228 0.741) 1.695 18.068 ( -0.269 0.096 1.828) 1.850 18.092 ( -1.396 -0.218 3.321) 3.609 18.179 ( -2.986 0.339 -0.669) 3.079 18.238 ( -0.542 -1.159 -1.057) 1.660 18.293 ( 0.590 -0.538 1.534) 1.729 18.336 ( 0.213 -0.658 0.211) 0.723 18.423 ( 2.975 2.083 -0.485) 3.664 18.522 ( 1.351 -1.571 -3.135) 3.758 18.995 ( -1.609 0.841 0.535) 1.893 19.129 ( 0.218 -3.253 -1.152) 3.458 19.274 ( -0.020 1.822 -0.876) 2.022 19.278 ( 0.914 2.143 -1.249) 2.644 20.014 ( 0.853 8.624 0.587) 8.686 20.045 ( -0.467 3.980 -0.489) 4.037 20.288 ( 0.929 -2.061 -6.599) 6.976 20.543 ( 1.164 -3.873 -7.518) 8.537 20.601 ( -0.035 1.726 0.163) 1.734 20.692 ( -0.080 -0.918 -0.773) 1.203 20.894 ( 0.091 0.327 -1.840) 1.871 20.924 ( 0.219 -0.514 -0.968) 1.118 21.383 ( 0.374 3.626 1.647) 4.000 21.592 ( -3.305 0.109 -1.913) 3.820 21.611 ( 1.145 -1.269 -3.059) 3.504 21.621 ( -0.227 -0.843 -2.526) 2.672 21.745 ( 3.097 -0.598 0.105) 3.156 21.785 ( 2.985 -0.164 -0.388) 3.014 21.950 ( 1.811 0.384 -6.035) 6.312 21.971 ( 1.941 0.550 -2.836) 3.481 24.705 ( 0.611 0.682 3.528) 3.645 24.758 ( -0.563 -0.642 2.178) 2.339 24.833 ( -0.923 0.699 1.682) 2.043 24.902 ( -2.318 0.386 1.134) 2.609 24.924 ( 0.000 0.136 0.345) 0.371 24.992 ( 0.860 -0.876 0.338) 1.273 25.113 ( 1.036 0.292 2.542) 2.760 25.133 ( 0.082 -0.120 -0.082) 0.167 28.801 ( -1.644 0.134 -0.459) 1.712 28.816 ( 0.185 -0.223 -0.556) 0.627 28.844 ( 0.575 0.660 -0.820) 1.199 28.874 ( 0.317 -0.170 -1.235) 1.286 29.088 ( 0.759 0.159 -0.180) 0.796 29.106 ( 0.113 -0.439 -0.448) 0.637 29.153 ( 0.264 0.567 -1.553) 1.674 29.184 ( 0.379 -0.315 -1.952) 2.013 34.899 ( -0.144 2.148 0.905) 2.336 34.958 ( 0.680 0.451 9.004) 9.041 35.020 ( -4.598 -1.265 3.636) 5.997 35.082 ( -9.877 1.424 -1.285) 10.061 35.155 ( -12.825 -0.905 -3.794) 13.406 35.248 ( 2.371 -10.289 2.610) 10.876 35.801 ( 5.620 19.556 2.865) 20.548 36.990 ( -10.087 -14.212 -13.267) 21.903 38.046 ( -0.446 0.701 4.419) 4.497 38.106 ( -3.654 3.175 2.785) 5.584 38.173 ( 3.090 -1.107 4.085) 5.241 38.268 ( -0.040 0.637 1.119) 1.288 38.366 ( 0.559 -4.687 1.149) 4.858 38.536 ( 1.462 -4.918 -1.017) 5.230 38.649 ( 1.062 3.419 0.846) 3.679 38.861 ( 0.556 -3.837 -2.392) 4.556 39.267 ( 1.638 1.114 -1.449) 2.454 39.364 ( 11.300 2.129 -2.926) 11.865 39.457 ( -4.196 -2.877 -2.619) 5.722 39.520 ( 4.155 -0.962 -3.317) 5.403 39.636 ( -0.584 -2.207 -2.655) 3.502 39.700 ( 1.771 -1.790 -0.524) 2.572 39.796 ( -8.110 3.708 -4.393) 9.941 40.013 ( -19.079 -2.899 1.288) 19.341 40.961 ( -1.972 3.398 6.223) 7.360 41.110 ( 2.619 -1.099 12.187) 12.514 41.291 ( 1.247 -1.154 4.393) 4.710 41.406 ( -3.219 -4.152 4.663) 7.025 41.556 ( 11.044 7.520 -2.810) 13.653 41.864 ( -10.237 15.199 2.103) 18.445 42.186 ( 28.316 -6.851 -16.425) 33.444 43.040 ( -7.019 -17.917 -15.582) 24.760 ======================= Grid point 52 (29/57) ======================= q-point: (-0.25 0.20 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.839 ( -15.107 29.943 21.307) 39.734 1.904 ( 2.116 16.843 39.104) 42.630 2.930 ( 11.514 -14.078 22.858) 29.211 3.064 ( 11.023 0.230 8.345) 13.827 3.130 ( -16.660 6.199 21.495) 27.893 3.167 ( 4.335 13.409 22.801) 26.804 3.235 ( -5.341 3.952 17.930) 19.121 3.440 ( 6.312 4.820 14.317) 16.372 3.560 ( -4.241 -11.485 9.678) 15.606 3.674 ( 0.947 -7.369 1.713) 7.625 3.803 ( -2.912 5.157 -1.420) 6.090 3.890 ( 6.083 -4.611 -1.587) 7.796 3.978 ( -13.964 1.121 9.541) 16.949 4.114 ( 8.734 6.471 2.087) 11.069 4.148 ( -11.542 7.950 -4.621) 14.757 4.412 ( -2.184 1.442 3.672) 4.509 4.543 ( 0.306 3.410 10.242) 10.800 4.659 ( -7.443 -5.404 4.235) 10.126 4.736 ( 0.501 -9.663 2.009) 9.883 4.852 ( 1.632 -8.803 2.785) 9.376 4.924 ( -1.190 5.967 6.447) 8.865 4.986 ( 3.557 -5.482 4.809) 8.113 5.074 ( 1.807 -0.155 5.860) 6.135 5.143 ( -3.511 -2.518 9.669) 10.590 5.243 ( -3.886 -3.852 4.151) 6.868 5.327 ( -9.398 -2.143 7.277) 12.077 5.374 ( -7.795 -3.497 1.105) 8.615 5.401 ( -7.361 -7.079 0.371) 10.220 5.435 ( -5.797 -1.539 -0.879) 6.061 5.535 ( 0.486 -4.653 -1.154) 4.819 5.652 ( 4.160 0.363 2.936) 5.105 5.697 ( -3.377 -6.521 7.541) 10.526 5.783 ( -3.447 -2.575 1.018) 4.422 5.844 ( 1.556 -6.165 -1.118) 6.456 5.902 ( -3.900 -1.333 1.960) 4.563 5.964 ( -1.674 -0.575 0.368) 1.807 6.008 ( -4.244 -5.990 9.110) 11.699 6.059 ( 3.457 -5.116 4.182) 7.457 6.103 ( -1.946 3.882 1.136) 4.489 6.205 ( 1.155 -2.924 -1.418) 3.449 6.280 ( 2.749 -4.642 4.820) 7.234 6.361 ( 0.798 2.511 -4.334) 5.072 6.433 ( -7.029 0.699 -4.043) 8.138 6.517 ( 3.714 -0.938 5.201) 6.459 6.559 ( -3.694 -2.734 0.983) 4.700 6.670 ( 2.200 -5.465 0.065) 5.891 6.699 ( -10.384 2.610 -9.284) 14.172 6.818 ( -2.486 1.805 0.095) 3.074 6.839 ( 0.792 5.016 1.502) 5.296 6.926 ( 1.286 3.779 2.505) 4.713 7.019 ( 2.234 -1.544 -1.950) 3.344 7.054 ( 5.336 -1.085 -0.008) 5.445 7.093 ( -1.196 -2.275 0.271) 2.585 7.151 ( 2.444 -2.280 1.010) 3.491 7.193 ( 1.105 3.907 2.465) 4.750 7.278 ( 2.596 -0.711 7.550) 8.016 7.354 ( 1.688 1.251 0.986) 2.321 7.591 ( 0.129 -2.263 -4.877) 5.378 7.656 ( -3.570 5.624 0.774) 6.706 7.673 ( 2.242 6.190 -0.440) 6.598 7.767 ( 7.014 -0.167 5.211) 8.739 7.832 ( 3.130 7.491 -1.086) 8.191 7.965 ( 3.319 0.059 2.085) 3.920 8.026 ( 7.129 2.994 1.988) 7.984 8.064 ( 0.917 1.444 -0.619) 1.819 8.160 ( -4.193 6.650 0.194) 7.864 8.224 ( 0.818 -0.859 2.762) 3.006 8.264 ( -0.254 5.452 2.237) 5.898 8.373 ( 2.299 2.022 1.506) 3.412 8.466 ( 5.525 3.189 -1.856) 6.643 8.513 ( 3.822 0.296 1.960) 4.305 8.566 ( -0.631 -0.193 -3.062) 3.132 8.679 ( 2.525 -4.046 2.509) 5.389 8.742 ( -7.694 2.505 -4.880) 9.450 8.779 ( -2.036 1.622 -0.678) 2.690 8.852 ( -1.819 2.075 -2.462) 3.698 8.913 ( 3.413 1.888 2.018) 4.391 9.039 ( -3.190 2.567 -4.701) 6.234 9.092 ( -0.972 0.188 3.373) 3.515 9.134 ( -1.462 -3.946 -2.131) 4.717 9.180 ( 6.275 -0.822 -0.556) 6.353 9.222 ( 1.119 -2.399 -1.297) 2.948 9.281 ( 1.211 -1.006 0.151) 1.582 9.325 ( -0.979 0.099 -0.939) 1.360 9.372 ( -1.051 0.951 -2.467) 2.845 9.428 ( -2.263 -1.397 1.350) 2.983 9.573 ( 0.724 -4.399 -1.254) 4.631 9.652 ( 1.920 -0.881 3.305) 3.922 9.717 ( 0.504 -0.373 -2.831) 2.900 9.849 ( 5.108 -2.418 -1.671) 5.893 9.934 ( -0.508 -2.995 -2.272) 3.794 10.035 ( 6.204 -1.057 -0.247) 6.298 10.100 ( 1.139 4.465 4.215) 6.245 10.162 ( -1.611 8.805 0.627) 8.973 10.263 ( 1.530 -0.811 10.143) 10.289 10.424 ( -1.699 2.555 6.040) 6.774 10.514 ( 4.544 2.872 0.256) 5.382 10.657 ( 3.630 -0.593 1.377) 3.928 10.768 ( 2.980 -1.804 -0.121) 3.486 10.855 ( 0.869 -1.544 1.402) 2.260 10.879 ( 3.677 2.916 2.396) 5.269 11.000 ( -1.509 -3.113 -1.629) 3.824 11.081 ( -8.676 -1.896 -5.167) 10.275 11.118 ( -7.003 0.383 -0.781) 7.057 11.194 ( -2.328 -2.786 2.875) 4.631 11.249 ( -5.535 0.979 -0.946) 5.700 11.413 ( -4.179 -7.419 2.270) 8.812 11.531 ( -2.352 -7.836 -0.196) 8.184 11.665 ( -0.778 -0.111 -7.036) 7.080 11.770 ( 2.011 2.530 -7.623) 8.279 11.877 ( 0.077 -1.923 -1.278) 2.310 12.023 ( -2.010 6.418 3.746) 7.698 12.113 ( -1.207 -2.336 3.886) 4.692 12.216 ( 0.680 10.228 -6.626) 12.206 12.434 ( 2.547 -1.936 5.399) 6.276 12.463 ( 2.912 5.829 -0.791) 6.564 12.781 ( 1.447 4.066 -4.363) 6.137 12.900 ( 5.839 -0.927 -1.609) 6.127 12.907 ( -3.505 -5.466 -3.371) 7.316 13.197 ( -4.891 -4.828 -8.872) 11.222 13.491 ( 2.358 0.989 -1.697) 3.069 13.518 ( -1.111 1.739 -2.662) 3.369 13.666 ( 1.158 0.221 -1.316) 1.766 13.764 ( -0.700 -1.078 -0.837) 1.533 13.810 ( -1.383 1.604 1.528) 2.612 13.911 ( 0.471 -2.085 -0.239) 2.150 14.104 ( 0.994 0.831 0.198) 1.311 14.127 ( -4.035 0.870 -5.968) 7.256 14.293 ( -1.852 -0.556 -3.534) 4.028 14.326 ( 0.665 -0.046 -2.072) 2.177 14.372 ( -1.288 0.633 -4.348) 4.579 14.388 ( -3.471 -1.028 -2.554) 4.431 14.588 ( -0.741 -0.628 1.340) 1.655 14.614 ( -0.599 -1.669 2.583) 3.133 14.897 ( -1.383 2.878 4.465) 5.489 14.996 ( -1.323 -0.881 5.338) 5.570 17.836 ( 4.366 -0.557 6.169) 7.578 17.873 ( 3.260 -1.195 6.430) 7.307 17.937 ( 1.878 1.819 4.378) 5.100 17.976 ( 2.760 0.167 4.575) 5.346 18.039 ( -2.951 -0.206 0.339) 2.977 18.086 ( 1.546 -1.770 2.895) 3.729 18.165 ( 1.434 0.796 2.093) 2.659 18.225 ( -0.819 -1.077 -1.749) 2.211 18.286 ( -1.793 -0.109 -0.892) 2.005 18.331 ( 0.393 -2.013 -1.936) 2.821 18.457 ( 0.552 1.914 -2.992) 3.595 18.496 ( -2.207 -0.151 -5.081) 5.542 18.963 ( -1.100 1.246 0.820) 1.854 19.125 ( -0.055 -3.673 -1.460) 3.953 19.270 ( 0.148 1.824 -0.923) 2.050 19.287 ( 0.390 1.644 -1.946) 2.577 20.012 ( -0.761 7.075 0.262) 7.120 20.068 ( 2.271 6.758 -1.505) 7.287 20.279 ( 0.836 -2.192 -5.419) 5.905 20.531 ( 1.029 -4.479 -7.693) 8.961 20.602 ( -0.001 1.854 0.436) 1.905 20.693 ( 0.450 -0.773 -0.606) 1.080 20.894 ( 0.638 0.732 -1.656) 1.920 20.927 ( 0.345 -0.358 -0.877) 1.008 21.393 ( -0.065 3.689 0.710) 3.757 21.545 ( -0.659 -0.704 -0.177) 0.980 21.617 ( 0.776 0.415 -1.394) 1.649 21.642 ( 2.878 0.272 -3.618) 4.631 21.796 ( 1.118 -1.457 -1.848) 2.605 21.843 ( 3.315 -2.030 -1.269) 4.089 21.950 ( 1.022 1.611 -8.205) 8.424 21.989 ( 0.255 0.519 -4.844) 4.878 24.698 ( -1.991 1.053 3.177) 3.894 24.784 ( 0.151 -1.341 2.656) 2.979 24.826 ( 1.013 1.028 2.045) 2.503 24.864 ( -1.525 0.267 1.241) 1.984 24.928 ( 0.170 0.545 -0.144) 0.589 25.009 ( 0.404 -1.545 0.535) 1.684 25.120 ( -1.290 0.426 0.138) 1.366 25.133 ( -0.013 -0.066 0.410) 0.416 28.768 ( -1.093 0.341 0.300) 1.183 28.814 ( 0.067 -0.950 -0.398) 1.032 28.853 ( 0.473 0.831 -0.982) 1.371 28.873 ( 0.104 -0.055 -1.354) 1.359 29.105 ( 0.233 0.014 -0.513) 0.564 29.107 ( 0.568 -0.045 -0.345) 0.666 29.153 ( 0.399 0.525 -1.544) 1.679 29.184 ( 0.424 -0.326 -1.905) 1.979 34.897 ( -0.729 2.005 2.125) 3.011 34.962 ( -2.676 0.825 1.961) 3.419 34.994 ( -1.970 -0.563 2.527) 3.253 35.054 ( 4.360 0.760 12.472) 13.234 35.175 ( 21.868 -2.315 16.876) 27.719 35.276 ( -0.732 -9.674 1.094) 9.763 35.828 ( -2.625 14.940 -3.265) 15.517 36.586 ( -22.348 -7.622 -9.308) 25.380 38.035 ( -2.085 1.765 2.266) 3.549 38.095 ( 1.234 2.433 4.372) 5.153 38.211 ( -1.176 -0.602 3.700) 3.929 38.272 ( -0.452 -1.108 0.560) 1.322 38.354 ( -1.361 -3.965 0.873) 4.282 38.547 ( -0.248 -3.685 -0.560) 3.735 38.642 ( -1.333 3.538 1.559) 4.090 38.916 ( 4.685 -5.269 -4.893) 8.582 39.162 ( -6.656 0.970 -2.402) 7.142 39.269 ( -6.875 0.932 -5.649) 8.947 39.511 ( -2.899 -0.706 -5.336) 6.114 39.603 ( -0.397 -2.606 -1.433) 3.000 39.688 ( 3.651 2.842 -1.599) 4.895 39.841 ( 17.109 0.153 0.799) 17.128 39.878 ( 7.330 -1.450 3.325) 8.179 39.947 ( 21.594 -2.611 -1.634) 21.812 40.811 ( -11.826 3.348 3.081) 12.671 41.066 ( -12.046 -5.426 2.312) 13.412 41.263 ( -5.009 3.220 9.075) 10.854 41.398 ( -1.304 1.426 4.469) 4.869 41.590 ( -6.389 3.707 3.582) 8.209 41.883 ( 11.128 13.880 -0.383) 17.794 42.524 ( -10.090 -15.218 -15.728) 24.099 42.708 ( 1.214 -13.095 -14.084) 19.270 ======================= Grid point 53 (30/57) ======================= q-point: ( 0.00 0.40 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 91 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.265 ( -13.080 22.268 27.238) 37.535 2.501 ( 3.832 20.078 25.600) 32.760 2.685 ( -10.919 -11.104 21.848) 26.830 2.980 ( 13.604 -19.499 21.201) 31.855 3.279 ( -6.221 3.781 -4.661) 8.644 3.351 ( -0.725 -3.462 2.248) 4.191 3.479 ( 10.387 26.270 29.868) 41.111 3.613 ( -3.817 5.382 2.018) 6.900 3.663 ( -1.905 -1.214 -0.190) 2.267 3.773 ( -9.893 14.598 1.545) 17.702 3.840 ( 0.253 3.860 6.260) 7.359 3.872 ( 1.871 -4.542 3.554) 6.064 3.915 ( -1.895 1.513 3.920) 4.610 4.141 ( -7.073 -8.334 8.444) 13.812 4.196 ( -1.207 -14.178 8.363) 16.505 4.339 ( -6.241 -11.093 0.589) 12.742 4.384 ( 9.744 -2.759 8.529) 13.240 4.533 ( 5.339 2.556 7.709) 9.719 4.691 ( 9.123 -8.810 5.643) 13.881 4.768 ( 2.237 4.188 5.966) 7.625 4.873 ( 7.439 -10.671 9.863) 16.324 4.955 ( -1.193 -1.078 9.885) 10.015 5.032 ( 0.783 -3.099 10.910) 11.368 5.042 ( -6.535 -5.702 4.857) 9.940 5.186 ( -2.758 3.819 -0.131) 4.712 5.221 ( 1.853 0.155 -1.259) 2.245 5.330 ( -2.003 10.455 8.951) 13.908 5.374 ( 1.818 1.737 7.457) 7.869 5.450 ( 5.926 0.021 -1.455) 6.102 5.540 ( 3.124 -3.555 4.651) 6.636 5.576 ( -0.835 -2.060 8.772) 9.049 5.623 ( -5.443 -2.173 4.510) 7.395 5.693 ( -2.073 -2.424 -1.388) 3.478 5.742 ( -3.092 -6.473 2.635) 7.642 5.802 ( -5.597 -1.417 -0.415) 5.789 5.829 ( -5.055 -2.190 0.484) 5.530 5.937 ( 1.377 0.714 1.934) 2.479 5.948 ( 0.192 -0.526 -2.489) 2.551 6.101 ( -3.787 -0.704 -3.427) 5.156 6.120 ( 0.691 -0.820 2.587) 2.800 6.310 ( -4.253 3.577 3.205) 6.415 6.360 ( -4.674 1.362 -1.147) 5.002 6.387 ( 1.008 -2.776 6.327) 6.983 6.428 ( -11.134 -5.596 -3.075) 12.835 6.505 ( -1.412 1.898 -0.321) 2.387 6.551 ( -0.946 -2.436 0.585) 2.678 6.632 ( 0.855 1.290 0.758) 1.723 6.654 ( -0.256 -0.537 1.697) 1.798 6.889 ( -2.634 3.486 -2.142) 4.866 6.955 ( -3.831 -2.936 -3.295) 5.845 6.960 ( -9.955 2.188 -2.056) 10.398 7.000 ( -5.566 -1.636 0.759) 5.851 7.155 ( -1.193 4.950 3.475) 6.164 7.207 ( 0.503 -1.347 4.701) 4.916 7.300 ( 0.389 1.651 -1.923) 2.564 7.348 ( -2.923 -3.038 2.033) 4.681 7.480 ( 6.996 2.658 3.958) 8.466 7.550 ( 4.082 -3.765 3.670) 6.656 7.643 ( -3.802 5.218 3.602) 7.393 7.746 ( -1.876 -4.294 3.507) 5.853 7.853 ( 1.230 1.978 2.420) 3.359 7.925 ( 4.890 -3.609 1.103) 6.177 8.032 ( -6.550 4.919 2.859) 8.676 8.091 ( 2.233 -0.506 2.028) 3.058 8.155 ( 2.532 8.573 -4.664) 10.083 8.248 ( -4.019 -0.733 1.045) 4.217 8.304 ( -1.562 2.236 0.898) 2.871 8.361 ( -1.010 -1.342 2.234) 2.795 8.465 ( 1.556 4.000 -2.814) 5.132 8.523 ( -1.544 4.313 -4.682) 6.550 8.533 ( -0.509 0.527 0.858) 1.128 8.598 ( 0.517 5.144 -4.082) 6.587 8.618 ( -2.822 8.312 -0.771) 8.812 8.661 ( -0.180 -3.282 -4.196) 5.330 8.758 ( -3.973 -0.340 -2.610) 4.766 8.810 ( 1.458 -4.958 -4.556) 6.889 8.980 ( -1.041 2.677 -2.396) 3.740 9.007 ( -1.245 0.287 -2.125) 2.479 9.034 ( 0.044 0.363 0.509) 0.627 9.100 ( -0.019 -6.362 -0.656) 6.396 9.112 ( -0.888 0.595 0.502) 1.180 9.183 ( 0.355 -5.102 -2.535) 5.708 9.326 ( 2.717 1.827 0.006) 3.274 9.393 ( 4.529 -5.389 -0.003) 7.039 9.433 ( 9.378 0.754 2.842) 9.829 9.452 ( 9.565 -0.495 -1.564) 9.705 9.577 ( 0.378 4.886 1.825) 5.230 9.659 ( -0.417 -3.240 2.445) 4.080 9.795 ( 2.205 4.664 -1.956) 5.518 9.868 ( 0.028 -1.760 -1.402) 2.250 9.886 ( -0.098 -0.109 -4.486) 4.489 9.967 ( -4.540 -6.261 -2.697) 8.190 10.174 ( -1.166 3.289 2.583) 4.341 10.222 ( -2.289 -1.180 5.177) 5.782 10.407 ( -1.982 4.973 7.369) 9.109 10.432 ( -4.168 2.413 6.252) 7.892 10.586 ( 1.246 3.178 -0.058) 3.414 10.700 ( 1.359 -4.795 -5.830) 7.670 10.744 ( -2.573 0.919 -2.846) 3.945 10.780 ( 0.673 -1.387 -2.137) 2.635 10.915 ( -2.556 3.196 -3.262) 5.234 10.945 ( 0.891 1.145 1.283) 1.937 10.988 ( -2.532 -3.826 -2.955) 5.458 11.040 ( 0.750 -7.437 0.468) 7.489 11.187 ( -0.418 5.987 2.476) 6.492 11.236 ( 3.065 1.273 3.025) 4.490 11.285 ( 4.739 -3.366 4.169) 7.154 11.338 ( -0.274 -8.130 1.604) 8.291 11.740 ( 4.723 5.106 -6.237) 9.342 11.836 ( 4.243 -4.010 -2.599) 6.390 11.858 ( 1.409 3.691 -4.305) 5.843 11.962 ( 0.814 -6.185 -3.784) 7.296 12.273 ( 2.612 10.343 5.161) 11.851 12.388 ( -4.787 12.325 -4.722) 14.039 12.439 ( 3.888 -7.578 5.743) 10.272 12.593 ( -6.961 -9.854 -4.456) 12.861 12.687 ( 4.086 6.675 0.571) 7.847 12.785 ( 2.456 -3.265 1.110) 4.234 13.031 ( 2.292 2.291 -4.036) 5.176 13.066 ( -1.565 -0.755 -5.583) 5.847 13.550 ( -0.118 1.507 -1.177) 1.916 13.574 ( 1.872 -1.198 -0.241) 2.235 13.684 ( 3.712 2.240 -0.190) 4.340 13.722 ( 2.084 -1.262 -0.295) 2.454 13.880 ( 1.784 0.749 0.417) 1.979 13.904 ( 0.796 -1.391 0.554) 1.696 14.031 ( -1.885 1.497 -4.966) 5.519 14.059 ( -3.119 -1.414 -6.087) 6.984 14.258 ( 0.278 1.420 1.538) 2.112 14.279 ( -2.577 -0.705 -0.442) 2.707 14.313 ( -2.620 0.471 -3.069) 4.062 14.334 ( 0.542 -1.824 -1.063) 2.180 14.572 ( -0.529 0.806 2.060) 2.274 14.593 ( -0.303 -1.505 3.560) 3.876 14.905 ( -3.418 2.284 4.171) 5.856 14.942 ( -3.269 -1.763 4.422) 5.775 17.886 ( -2.894 1.069 1.098) 3.275 17.912 ( -1.553 -1.736 1.755) 2.916 17.984 ( 1.427 0.629 3.914) 4.214 18.001 ( 1.881 -1.091 4.067) 4.612 18.101 ( 1.544 1.981 1.543) 2.948 18.132 ( -0.055 -1.466 -0.630) 1.596 18.169 ( 0.621 -0.945 1.407) 1.805 18.174 ( 1.753 -1.065 3.020) 3.650 18.284 ( 0.874 1.235 0.671) 1.656 18.312 ( 1.222 -1.690 0.000) 2.085 18.420 ( -2.882 0.960 -4.122) 5.120 18.432 ( -2.803 -0.239 -3.426) 4.433 19.006 ( 0.937 2.260 1.366) 2.802 19.056 ( 0.470 -3.233 0.349) 3.285 19.301 ( 0.377 1.145 -1.465) 1.897 19.306 ( 0.436 0.611 -2.258) 2.380 20.106 ( -0.252 5.978 -2.354) 6.430 20.206 ( -0.351 -4.367 -4.260) 6.111 20.281 ( 3.096 9.029 -6.408) 11.496 20.428 ( 2.464 -6.894 -6.384) 9.713 20.641 ( -0.010 2.197 -0.501) 2.253 20.677 ( 0.192 -1.678 -0.778) 1.859 20.915 ( 0.309 0.691 -1.462) 1.646 20.924 ( 0.258 -0.336 -1.022) 1.106 21.454 ( -0.229 3.775 -2.211) 4.381 21.514 ( 0.656 -2.881 -1.920) 3.524 21.660 ( 1.537 1.177 -0.719) 2.065 21.681 ( 1.346 -0.942 -1.416) 2.169 21.782 ( -0.669 2.502 -4.315) 5.032 21.839 ( 0.058 -3.273 -5.619) 6.503 21.922 ( -2.051 2.030 -5.000) 5.773 21.949 ( -0.985 -0.872 -5.207) 5.371 24.706 ( -1.287 1.919 3.102) 3.868 24.743 ( -1.261 -2.041 2.514) 3.475 24.864 ( 0.028 1.185 1.675) 2.051 24.879 ( 1.394 -0.504 2.132) 2.597 24.944 ( 0.101 0.651 0.405) 0.773 24.964 ( -1.131 -1.622 0.777) 2.125 25.111 ( -0.887 1.267 0.489) 1.622 25.128 ( -0.400 -0.605 0.419) 0.838 28.780 ( 0.839 0.869 0.615) 1.355 28.799 ( 0.732 -1.154 0.218) 1.384 28.861 ( -0.133 0.411 -1.242) 1.315 28.867 ( 0.043 -0.258 -1.266) 1.293 29.102 ( -0.350 0.350 -0.718) 0.872 29.109 ( -0.161 -0.330 -0.760) 0.844 29.167 ( 0.427 0.701 -1.560) 1.763 29.179 ( 0.444 -0.508 -1.743) 1.869 34.927 ( -0.765 2.425 4.630) 5.283 34.975 ( 0.846 -2.381 4.441) 5.109 34.999 ( -0.755 3.793 0.523) 3.902 35.097 ( -1.532 -6.382 -0.218) 6.567 35.458 ( 20.683 12.441 13.854) 27.830 35.712 ( 24.371 -12.252 6.551) 28.053 35.848 ( -9.062 4.647 -4.326) 11.065 35.988 ( -14.375 -8.732 -5.132) 17.585 38.040 ( -1.603 1.416 3.787) 4.349 38.078 ( -3.794 -2.738 4.389) 6.415 38.228 ( 1.588 2.409 3.245) 4.342 38.262 ( 0.571 -1.097 3.082) 3.321 38.355 ( -0.930 3.920 0.531) 4.064 38.443 ( -1.414 -5.075 0.285) 5.277 38.697 ( -0.905 5.440 0.946) 5.596 38.823 ( 0.178 -8.102 -0.831) 8.146 39.130 ( 0.493 3.863 -6.533) 7.606 39.180 ( 0.237 -1.041 -7.043) 7.123 39.422 ( -2.621 0.187 -3.759) 4.586 39.447 ( -1.978 -1.894 -4.931) 5.640 39.872 ( 1.175 1.955 5.809) 6.241 39.931 ( 0.148 -4.223 3.840) 5.710 40.262 ( 12.710 3.285 1.465) 13.209 40.326 ( 12.546 -4.094 2.552) 13.442 40.799 ( 11.472 1.745 -5.706) 12.931 40.823 ( 3.220 -0.788 -5.685) 6.581 41.188 ( -14.813 5.994 4.926) 16.722 41.295 ( -15.443 -5.859 5.872) 17.530 41.518 ( -7.606 5.610 4.957) 10.672 41.660 ( -15.290 -9.242 1.862) 17.963 42.365 ( 7.040 18.291 -3.486) 19.907 42.689 ( 10.197 -16.711 -7.281) 20.887 ======================= Grid point 54 (31/57) ======================= q-point: ( 0.25 0.40 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.314 ( 7.432 16.907 22.980) 29.481 2.620 ( 3.731 -12.080 15.546) 20.038 2.740 ( 1.743 26.121 9.327) 27.791 2.884 ( -19.681 2.148 -6.807) 20.935 3.011 ( -15.405 5.727 -6.082) 17.524 3.259 ( -19.644 12.597 5.311) 23.933 3.371 ( 3.958 -14.485 9.118) 17.568 3.458 ( -10.106 -4.848 -4.813) 12.199 3.546 ( -9.126 3.238 -9.715) 13.717 3.774 ( -6.237 -1.222 4.522) 7.800 3.797 ( -8.568 -14.175 6.495) 17.791 3.876 ( -0.191 -0.867 4.482) 4.569 4.038 ( 1.967 6.848 7.596) 10.414 4.270 ( 23.002 3.130 14.631) 27.440 4.299 ( 6.658 -9.028 10.020) 15.041 4.481 ( 14.086 -8.224 12.804) 20.736 4.633 ( -0.004 6.040 5.690) 8.298 4.725 ( 4.594 -2.502 6.039) 7.989 4.748 ( -3.655 3.660 12.394) 13.430 4.841 ( -1.907 -4.151 6.372) 7.840 4.953 ( 2.633 -1.143 9.933) 10.339 4.978 ( 2.653 2.912 5.239) 6.555 5.087 ( 5.703 3.454 8.880) 11.105 5.175 ( -2.330 3.874 8.015) 9.202 5.209 ( 1.985 -2.674 1.675) 3.727 5.264 ( 4.014 0.887 6.385) 7.594 5.303 ( -0.330 -1.594 6.070) 6.284 5.403 ( -1.884 -4.636 4.929) 7.023 5.459 ( -7.102 1.040 12.221) 14.174 5.580 ( 0.677 3.278 2.904) 4.431 5.599 ( -6.010 -6.417 8.874) 12.492 5.647 ( 2.163 -1.137 5.336) 5.868 5.669 ( 3.994 -2.700 6.036) 7.725 5.706 ( 0.235 -6.204 0.486) 6.228 5.806 ( 5.892 2.376 4.235) 7.635 5.834 ( -5.206 -2.369 3.694) 6.809 5.908 ( -3.286 -0.792 2.858) 4.426 5.969 ( -7.014 0.931 1.882) 7.321 6.012 ( 1.548 0.760 -1.223) 2.114 6.043 ( 4.030 -2.327 4.607) 6.548 6.168 ( -0.566 2.451 1.446) 2.901 6.258 ( -2.878 -5.988 4.281) 7.903 6.359 ( -0.542 -1.494 2.452) 2.922 6.463 ( -1.775 -8.365 7.259) 11.217 6.539 ( -5.104 1.183 -0.163) 5.242 6.561 ( -6.305 -1.137 -2.390) 6.838 6.628 ( 5.363 1.812 3.702) 6.764 6.668 ( 4.324 -2.378 1.614) 5.193 6.758 ( -0.296 1.472 -1.969) 2.476 6.781 ( -2.923 -0.238 -2.442) 3.817 6.917 ( 1.014 -0.406 2.789) 2.996 6.951 ( -0.299 -2.910 1.248) 3.181 7.090 ( -4.264 3.183 4.660) 7.074 7.159 ( -8.483 -4.165 2.488) 9.773 7.275 ( 3.047 4.348 -0.958) 5.395 7.310 ( 0.968 0.266 -2.319) 2.527 7.548 ( -3.147 0.422 5.339) 6.212 7.571 ( -1.685 -2.235 2.498) 3.751 7.654 ( -1.589 4.087 3.325) 5.503 7.709 ( -3.917 -0.309 0.231) 3.936 7.863 ( -1.554 0.241 1.945) 2.501 7.900 ( -3.311 0.204 5.786) 6.670 7.969 ( -6.894 -2.115 -2.109) 7.514 7.997 ( -1.555 -3.358 4.634) 5.930 8.159 ( -2.507 6.042 -0.976) 6.614 8.214 ( 3.201 5.609 -2.282) 6.850 8.265 ( -5.490 5.001 2.739) 7.915 8.358 ( 3.902 4.448 1.923) 6.222 8.453 ( -3.898 5.856 -8.306) 10.884 8.503 ( -1.502 1.874 -0.685) 2.497 8.525 ( -2.131 0.674 0.185) 2.243 8.571 ( 2.375 8.576 -2.206) 9.168 8.637 ( -0.053 -7.878 -9.072) 12.016 8.693 ( 7.065 -0.869 0.158) 7.120 8.737 ( 4.580 6.659 -1.158) 8.165 8.881 ( 6.201 -6.225 -1.645) 8.939 8.934 ( -0.418 -0.350 -1.250) 1.364 8.962 ( -1.204 -3.878 -3.390) 5.289 9.062 ( 3.320 1.571 -2.774) 4.603 9.099 ( 1.328 -2.482 -2.101) 3.513 9.134 ( -1.770 -1.244 0.288) 2.182 9.165 ( -1.633 -4.359 -0.991) 4.759 9.365 ( 1.601 4.831 -1.251) 5.241 9.446 ( 1.197 -1.939 -1.023) 2.498 9.573 ( -4.570 8.659 -3.819) 10.509 9.583 ( -1.253 4.285 -2.176) 4.966 9.604 ( 2.297 -0.001 1.946) 3.010 9.638 ( 1.492 -2.099 1.584) 3.024 9.692 ( -2.375 -2.778 3.046) 4.758 9.776 ( -10.447 -8.885 -8.185) 15.971 9.856 ( 0.717 2.993 -3.190) 4.433 9.919 ( 1.638 -3.853 -5.473) 6.890 10.134 ( -3.184 4.333 5.170) 7.460 10.187 ( -2.264 -1.474 8.074) 8.514 10.370 ( -3.450 2.395 2.095) 4.694 10.391 ( -0.859 -0.976 7.661) 7.770 10.570 ( -0.134 10.713 -2.856) 11.088 10.641 ( -2.773 3.831 1.347) 4.917 10.729 ( -1.903 -3.635 2.212) 4.661 10.740 ( 0.154 -4.523 -6.261) 7.725 10.917 ( 2.518 1.606 -1.845) 3.510 10.946 ( 0.341 0.588 0.452) 0.816 11.049 ( 4.905 -1.594 3.324) 6.136 11.078 ( 0.630 -6.868 0.944) 6.961 11.238 ( 3.425 -0.692 -4.335) 5.568 11.268 ( 0.339 -3.176 1.278) 3.440 11.402 ( 3.906 -2.424 -0.344) 4.610 11.426 ( 6.182 -3.746 -1.406) 7.364 11.816 ( 4.100 5.830 -9.362) 11.767 11.852 ( 0.980 5.487 -5.119) 7.567 11.932 ( 3.896 -6.776 -4.021) 8.789 11.959 ( 0.393 -6.283 -3.001) 6.974 12.235 ( -6.483 8.744 -2.701) 11.216 12.310 ( -3.783 4.439 -0.986) 5.915 12.457 ( -1.264 -1.395 4.053) 4.469 12.526 ( 2.355 -4.707 1.573) 5.493 12.806 ( 5.450 6.916 -1.030) 8.865 12.896 ( 6.607 -2.385 1.811) 7.254 12.952 ( -4.899 1.739 -3.563) 6.302 13.006 ( -3.871 -3.758 -4.819) 7.234 13.512 ( -0.926 1.858 0.269) 2.093 13.543 ( -2.562 -1.161 0.431) 2.846 13.769 ( 1.459 0.993 -2.982) 3.465 13.803 ( -0.660 -2.363 -4.785) 5.377 13.883 ( 3.052 1.597 -2.227) 4.101 13.901 ( 4.319 -0.342 -2.507) 5.005 14.049 ( 1.840 2.120 -0.741) 2.903 14.074 ( 1.581 -0.661 -1.296) 2.148 14.239 ( 0.792 1.902 1.335) 2.455 14.267 ( 0.131 -1.028 1.233) 1.611 14.325 ( 3.730 0.557 3.246) 4.976 14.364 ( 2.320 -3.331 0.657) 4.112 14.587 ( 0.404 1.564 4.044) 4.355 14.614 ( -0.176 -1.410 4.930) 5.131 14.869 ( -1.130 2.177 4.809) 5.399 14.908 ( -1.124 -2.068 4.910) 5.445 17.812 ( -3.399 1.235 -0.405) 3.639 17.847 ( -3.520 -2.505 -0.820) 4.398 17.991 ( -3.186 0.501 -2.674) 4.190 18.005 ( -3.382 -0.879 -3.447) 4.908 18.063 ( 0.168 1.233 1.759) 2.155 18.088 ( -0.554 -1.198 1.521) 2.014 18.248 ( 1.547 1.420 3.294) 3.906 18.264 ( -1.793 0.363 0.383) 1.869 18.267 ( 0.209 -0.313 2.819) 2.844 18.283 ( -1.079 -1.738 0.607) 2.134 18.406 ( 1.878 1.229 -0.796) 2.382 18.430 ( 3.549 -1.613 0.150) 3.901 19.028 ( 0.295 1.781 1.205) 2.171 19.069 ( 0.410 -2.758 0.447) 2.824 19.303 ( 0.380 1.156 -1.431) 1.878 19.306 ( 0.372 0.797 -2.073) 2.252 20.099 ( 0.708 5.300 -2.318) 5.828 20.176 ( -0.651 -1.387 -3.373) 3.705 20.302 ( 1.521 7.280 -7.357) 10.462 20.447 ( 1.771 -6.895 -7.076) 10.037 20.637 ( -0.105 2.096 -0.399) 2.136 20.673 ( -0.161 -1.808 -0.830) 1.996 20.908 ( -0.208 0.558 -1.454) 1.571 20.919 ( -0.263 -0.552 -1.125) 1.281 21.448 ( 0.490 4.382 -1.097) 4.543 21.527 ( 1.329 -4.209 -1.797) 4.765 21.661 ( -2.018 0.497 -2.427) 3.196 21.672 ( -2.478 -0.698 -2.024) 3.274 21.735 ( -0.307 1.874 -2.614) 3.231 21.759 ( -1.180 -0.352 -3.351) 3.570 21.928 ( 2.149 0.487 -2.588) 3.399 21.943 ( 1.754 -0.845 -3.192) 3.739 24.703 ( -0.190 1.636 2.896) 3.331 24.736 ( -0.497 -1.899 2.490) 3.171 24.868 ( -0.524 2.042 1.910) 2.845 24.904 ( -0.003 -1.697 1.612) 2.340 24.944 ( -0.627 0.633 1.043) 1.372 24.958 ( 0.418 -0.935 1.020) 1.446 25.105 ( 0.095 1.305 1.127) 1.727 25.124 ( -0.058 -0.767 0.326) 0.836 28.805 ( 1.017 0.532 0.077) 1.150 28.816 ( 0.518 -0.626 -0.227) 0.844 28.854 ( 0.004 0.629 -1.022) 1.200 28.865 ( 0.252 -0.512 -1.084) 1.225 29.091 ( -0.325 0.422 -0.545) 0.762 29.099 ( -0.275 -0.508 -0.606) 0.837 29.167 ( 0.226 0.705 -1.654) 1.812 29.178 ( 0.278 -0.509 -1.828) 1.918 34.942 ( 0.390 3.528 3.469) 4.963 34.977 ( -1.668 3.119 2.491) 4.326 35.026 ( 1.955 -5.426 4.255) 7.168 35.047 ( -3.151 -4.135 1.299) 5.358 35.437 ( -16.393 3.727 -8.772) 18.962 35.499 ( -18.902 -3.020 -8.981) 21.144 35.960 ( 17.719 24.235 8.252) 31.135 36.456 ( 22.864 -29.448 -0.376) 37.284 38.048 ( -0.833 0.004 4.944) 5.013 38.059 ( 1.778 -1.087 4.188) 4.678 38.229 ( -2.458 2.750 2.422) 4.413 38.271 ( -1.134 -1.607 2.555) 3.225 38.342 ( -0.419 3.373 1.509) 3.719 38.419 ( -0.737 -4.856 0.845) 4.984 38.692 ( 0.167 5.261 1.436) 5.456 38.806 ( -1.409 -6.847 0.170) 6.992 39.179 ( 6.647 2.939 -5.573) 9.159 39.219 ( 6.313 -0.738 -5.431) 8.360 39.396 ( 1.782 1.521 -3.647) 4.335 39.448 ( 2.997 -3.545 -3.088) 5.575 39.786 ( -10.291 -0.143 0.698) 10.315 39.801 ( -10.693 -1.799 0.396) 10.851 40.180 ( -15.110 5.399 0.359) 16.050 40.288 ( -14.319 -6.702 1.982) 15.934 40.997 ( -4.201 1.446 6.596) 7.952 41.007 ( -0.872 -0.276 6.773) 6.835 41.159 ( 22.245 7.418 -3.756) 23.748 41.295 ( 17.531 -6.236 -1.719) 18.686 41.482 ( 6.854 1.497 -0.606) 7.042 41.540 ( 0.437 -4.115 1.543) 4.416 42.401 ( -2.443 20.618 -3.028) 20.982 42.779 ( 1.050 -20.227 -7.156) 21.481 ======================= Grid point 55 (32/57) ======================= q-point: (-0.50 0.40 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 91 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.272 ( -19.847 14.163 5.784) 25.058 2.511 ( -11.732 -7.590 4.236) 14.601 2.745 ( 17.534 10.735 14.396) 25.098 2.847 ( -18.160 25.488 10.673) 33.065 2.959 ( 12.985 -12.059 12.655) 21.776 3.121 ( 10.627 25.302 14.916) 31.235 3.324 ( -0.035 -3.747 2.933) 4.759 3.398 ( -4.050 -5.082 0.300) 6.505 3.462 ( -1.496 -9.074 -0.901) 9.240 3.612 ( -2.424 -18.281 10.887) 21.415 3.774 ( 0.251 4.648 2.111) 5.111 3.928 ( 0.662 -12.086 3.920) 12.723 4.110 ( 3.992 11.620 1.636) 12.394 4.369 ( 2.301 -12.991 3.154) 13.565 4.448 ( -21.878 14.092 11.118) 28.299 4.509 ( -11.024 2.842 6.093) 12.912 4.603 ( -9.508 1.807 3.315) 10.230 4.674 ( -3.959 1.688 5.551) 7.024 4.716 ( -7.978 -9.985 7.624) 14.882 4.826 ( -2.078 -2.551 1.600) 3.658 4.859 ( -13.062 4.652 9.996) 17.093 5.005 ( -4.952 -0.246 6.876) 8.477 5.034 ( 0.259 2.480 3.688) 4.452 5.070 ( -2.074 -2.878 6.114) 7.069 5.257 ( -4.504 0.520 9.590) 10.608 5.299 ( 2.911 2.128 6.929) 7.811 5.391 ( -2.703 -7.453 3.080) 8.506 5.464 ( 2.586 1.308 11.246) 11.613 5.496 ( -3.120 -8.127 -2.583) 9.080 5.544 ( -3.353 -3.669 9.271) 10.519 5.603 ( -1.648 -1.535 2.921) 3.688 5.645 ( -1.240 -6.451 3.454) 7.422 5.710 ( -3.939 7.552 -1.649) 8.676 5.783 ( 6.996 0.696 8.089) 10.718 5.820 ( 7.658 -1.984 10.663) 13.277 5.868 ( 0.019 -4.881 2.961) 5.709 5.914 ( -1.124 -1.503 4.499) 4.875 5.943 ( -0.842 -3.329 2.472) 4.231 6.094 ( 1.676 3.902 4.352) 6.081 6.149 ( -0.390 -1.555 5.140) 5.384 6.249 ( 7.467 3.516 4.237) 9.278 6.311 ( 2.868 2.534 3.589) 5.246 6.365 ( 4.327 -5.436 3.172) 7.638 6.383 ( 8.897 -7.181 4.343) 12.230 6.534 ( 2.866 1.842 0.348) 3.425 6.592 ( 3.508 -4.726 0.083) 5.886 6.722 ( 4.297 2.219 -1.532) 5.073 6.767 ( 3.838 -2.985 -0.742) 4.919 6.816 ( 1.426 2.540 3.030) 4.203 6.870 ( 5.500 -1.112 6.208) 8.368 6.906 ( -0.863 0.143 -1.565) 1.793 6.981 ( 1.952 -4.403 5.782) 7.525 7.061 ( -1.364 0.743 1.813) 2.388 7.074 ( 0.387 -0.863 3.408) 3.536 7.288 ( -1.135 3.283 -5.795) 6.756 7.357 ( -2.497 -3.629 -3.814) 5.826 7.443 ( -8.912 6.861 -3.409) 11.752 7.542 ( 5.716 2.761 6.069) 8.782 7.598 ( -2.117 -1.374 3.684) 4.466 7.717 ( 6.157 -6.032 9.991) 13.195 7.826 ( -3.114 1.973 2.646) 4.537 7.862 ( -0.284 2.263 0.756) 2.402 7.910 ( -0.973 0.612 2.464) 2.719 8.021 ( 2.362 -7.201 5.520) 9.376 8.139 ( 0.045 10.716 -1.408) 10.808 8.198 ( -0.881 12.070 -1.990) 12.264 8.259 ( 0.488 0.581 -3.034) 3.128 8.332 ( -1.676 0.949 -5.782) 6.094 8.407 ( -5.038 2.456 -0.806) 5.663 8.429 ( 0.140 1.453 -1.325) 1.971 8.477 ( -0.861 -0.392 -2.130) 2.331 8.571 ( 2.564 0.276 -1.211) 2.850 8.653 ( 1.298 5.654 -2.603) 6.358 8.802 ( 2.175 6.015 0.584) 6.423 8.853 ( 4.418 -6.499 -2.456) 8.233 8.914 ( 2.091 1.642 -1.334) 2.975 8.960 ( -1.364 -1.815 0.165) 2.277 9.024 ( 2.861 -6.657 -1.141) 7.335 9.072 ( 0.947 1.996 0.259) 2.224 9.095 ( 0.291 -2.095 -2.523) 3.292 9.111 ( -1.173 -1.486 -2.443) 3.091 9.157 ( 3.509 -3.311 -0.783) 4.887 9.322 ( -8.623 7.282 -2.545) 11.569 9.377 ( -0.312 6.843 -1.070) 6.933 9.440 ( -8.402 -5.180 -4.416) 10.813 9.499 ( -3.206 -2.709 0.887) 4.290 9.576 ( -1.169 2.419 -2.666) 3.785 9.630 ( -0.459 -3.727 -0.991) 3.883 9.670 ( 1.320 -1.023 -4.093) 4.421 9.706 ( 0.059 -2.549 -1.625) 3.024 9.906 ( 4.781 1.765 -1.623) 5.349 9.937 ( 2.697 -1.668 -3.713) 4.883 10.136 ( 0.433 3.850 5.648) 6.849 10.187 ( -1.302 -2.282 8.642) 9.033 10.346 ( 0.539 6.598 0.993) 6.694 10.423 ( 0.088 -2.075 8.103) 8.365 10.590 ( -0.070 7.318 2.352) 7.687 10.614 ( 1.207 4.957 1.430) 5.298 10.707 ( -0.995 -3.925 0.891) 4.146 10.733 ( 1.836 -4.170 -2.823) 5.360 10.940 ( -1.458 2.694 0.719) 3.146 10.962 ( 1.873 2.324 -1.530) 3.354 11.050 ( -2.925 -8.276 -1.767) 8.953 11.105 ( -0.677 -9.268 -1.110) 9.359 11.244 ( 0.006 3.717 0.823) 3.807 11.316 ( 0.788 -2.512 2.772) 3.823 11.415 ( -2.458 0.908 -2.430) 3.574 11.484 ( 0.274 -5.006 -3.349) 6.029 11.780 ( -2.180 5.146 -9.136) 10.710 11.853 ( 0.760 5.419 -7.710) 9.454 11.882 ( -3.614 -5.184 -6.725) 9.229 11.973 ( 0.360 -7.419 -4.469) 8.669 12.157 ( -0.807 6.629 4.664) 8.145 12.253 ( 0.166 -3.046 5.163) 5.997 12.500 ( 1.361 7.212 1.630) 7.518 12.550 ( 0.798 2.075 -2.453) 3.311 12.807 ( -3.437 0.646 -3.364) 4.852 12.863 ( -2.400 0.750 -1.227) 2.798 12.917 ( 1.012 1.394 -5.066) 5.351 13.058 ( 4.516 -9.274 -0.830) 10.348 13.519 ( -0.060 1.015 -1.231) 1.597 13.527 ( 1.496 0.103 -0.377) 1.546 13.732 ( -2.128 1.405 -3.271) 4.147 13.755 ( -0.943 -1.164 -3.194) 3.528 13.895 ( -2.065 0.458 -1.499) 2.593 13.904 ( -3.533 -0.273 -2.605) 4.399 14.094 ( 2.989 2.395 -0.288) 3.841 14.121 ( 4.563 -0.364 -0.543) 4.609 14.291 ( 1.211 -0.257 -0.425) 1.309 14.301 ( 2.216 -1.178 -0.527) 2.564 14.398 ( 1.873 0.913 0.342) 2.112 14.422 ( 1.307 -1.381 -0.369) 1.937 14.588 ( -1.982 0.885 1.902) 2.886 14.606 ( -1.040 -0.897 2.693) 3.023 14.909 ( 1.832 2.204 6.403) 7.015 14.946 ( 1.485 -1.880 6.516) 6.942 17.773 ( -0.223 0.251 1.939) 1.968 17.789 ( -1.003 -1.436 1.392) 2.237 17.934 ( -0.575 0.677 0.357) 0.958 17.942 ( -0.641 0.023 0.430) 0.772 18.073 ( -0.876 0.510 1.901) 2.154 18.084 ( -1.502 -0.596 2.406) 2.898 18.191 ( -2.336 1.005 -0.461) 2.585 18.214 ( -1.354 -1.399 -0.578) 2.031 18.295 ( 0.277 0.793 1.545) 1.759 18.317 ( 0.018 -1.354 1.545) 2.054 18.460 ( 2.755 1.883 -0.908) 3.458 18.492 ( 2.141 -1.654 -1.495) 3.091 19.021 ( -1.179 2.100 0.449) 2.450 19.069 ( -0.499 -3.113 -0.050) 3.153 19.303 ( 0.194 1.070 -1.667) 1.991 19.306 ( 0.535 0.738 -2.040) 2.234 20.116 ( 1.613 4.266 -2.641) 5.271 20.162 ( 0.754 1.868 -2.503) 3.213 20.287 ( 0.241 5.606 -6.922) 8.910 20.436 ( 0.350 -7.852 -7.441) 10.823 20.636 ( 0.105 1.973 -0.023) 1.976 20.669 ( 0.068 -1.577 -0.383) 1.624 20.901 ( 0.247 0.511 -1.487) 1.591 20.912 ( 0.232 -0.676 -1.089) 1.303 21.464 ( 1.080 4.972 -0.667) 5.131 21.550 ( 0.741 -4.220 -2.455) 4.938 21.604 ( -0.789 0.503 -1.871) 2.092 21.613 ( -0.508 -0.423 -2.090) 2.192 21.749 ( 1.681 0.915 -1.076) 2.196 21.770 ( 1.628 -1.270 -1.357) 2.471 21.963 ( 2.553 0.864 -4.665) 5.387 21.974 ( 2.479 -0.249 -3.840) 4.578 24.722 ( 0.470 1.085 3.166) 3.380 24.742 ( 0.057 -1.065 2.608) 2.818 24.854 ( -1.405 1.587 1.539) 2.619 24.885 ( -1.854 -1.651 0.872) 2.631 24.945 ( 0.133 1.592 1.087) 1.933 24.972 ( 0.460 -1.306 0.817) 1.608 25.120 ( 0.574 0.477 1.286) 1.487 25.128 ( 0.248 -0.389 0.401) 0.612 28.805 ( -1.133 0.282 -0.578) 1.302 28.811 ( -0.445 -0.297 -0.622) 0.821 28.858 ( 0.642 0.719 -0.864) 1.295 28.869 ( 0.479 -0.477 -1.045) 1.245 29.092 ( 0.598 0.288 -0.267) 0.716 29.098 ( 0.344 -0.408 -0.368) 0.648 29.165 ( 0.242 0.682 -1.659) 1.810 29.176 ( 0.289 -0.570 -1.823) 1.932 34.951 ( -0.962 2.943 2.667) 4.087 34.969 ( -0.953 0.589 7.310) 7.396 35.004 ( -1.009 0.408 4.482) 4.612 35.076 ( -0.167 -5.713 2.172) 6.114 35.117 ( -9.614 0.556 -2.307) 9.903 35.141 ( -11.635 -1.581 -3.710) 12.314 36.198 ( 3.147 23.850 0.832) 24.071 36.637 ( -2.772 -23.341 -5.419) 24.121 38.080 ( 1.796 2.927 3.842) 5.153 38.137 ( 3.430 -2.717 3.362) 5.518 38.171 ( -3.828 3.583 3.243) 6.165 38.241 ( -2.816 -4.000 2.015) 5.291 38.339 ( -0.197 2.936 1.589) 3.344 38.428 ( 1.251 -6.124 0.637) 6.282 38.713 ( 0.668 3.678 1.552) 4.048 38.784 ( -0.306 -4.211 0.589) 4.263 39.306 ( 2.442 3.020 -2.179) 4.453 39.367 ( 4.994 -3.132 -2.554) 6.425 39.438 ( 3.641 2.467 -2.645) 5.132 39.491 ( 3.151 -2.566 -3.228) 5.190 39.628 ( 2.056 1.093 -2.653) 3.530 39.662 ( 1.669 -2.257 -2.134) 3.526 39.867 ( -12.327 4.238 -3.162) 13.413 39.946 ( -15.249 -4.250 -1.056) 15.865 41.026 ( -2.142 3.418 7.189) 8.243 41.079 ( 0.443 -2.370 9.657) 9.953 41.288 ( -1.855 0.970 6.017) 6.370 41.329 ( -5.025 -3.502 6.444) 8.890 41.751 ( 21.279 12.469 -7.112) 25.668 41.970 ( 24.509 -10.157 -10.356) 28.480 42.239 ( -10.711 19.635 -4.189) 22.756 42.646 ( -11.460 -23.566 -8.445) 27.532 ======================= Grid point 56 (33/57) ======================= q-point: (-0.25 0.40 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.198 ( 5.465 20.207 33.254) 39.294 2.495 ( -10.917 28.099 21.406) 36.972 2.594 ( 2.314 -16.132 26.770) 31.341 2.968 ( -18.396 -15.354 18.007) 29.973 3.174 ( 10.411 2.598 6.070) 12.328 3.284 ( 7.193 -10.480 6.331) 14.201 3.435 ( -6.829 14.375 11.300) 19.518 3.493 ( 10.225 4.470 6.756) 13.045 3.590 ( 11.368 17.575 14.793) 25.631 3.618 ( 4.838 1.740 5.989) 7.893 3.783 ( 1.621 -6.360 0.801) 6.612 3.898 ( -2.526 -3.105 10.693) 11.418 4.021 ( -13.094 9.426 4.445) 16.735 4.221 ( 1.482 6.370 5.854) 8.777 4.309 ( -7.934 7.827 -1.869) 11.301 4.390 ( -12.311 -22.533 6.235) 26.423 4.469 ( -2.849 3.611 4.644) 6.537 4.515 ( -5.779 -8.519 -0.556) 10.309 4.529 ( -0.284 -11.683 5.820) 13.056 4.768 ( -3.285 6.045 5.273) 8.668 4.775 ( -2.348 -11.964 4.372) 12.953 4.949 ( -5.219 -6.484 8.382) 11.813 5.064 ( -1.884 -0.078 8.663) 8.866 5.085 ( 0.331 -2.136 6.487) 6.837 5.199 ( -3.486 2.608 5.950) 7.372 5.256 ( -4.820 -3.572 1.671) 6.227 5.369 ( -1.762 2.345 1.181) 3.162 5.407 ( -2.044 -1.631 -0.958) 2.785 5.447 ( -4.406 4.201 5.467) 8.182 5.495 ( -6.346 1.843 -0.286) 6.614 5.558 ( -0.963 -4.395 7.765) 8.974 5.627 ( 1.450 -4.696 5.354) 7.267 5.718 ( 0.684 -1.516 -0.314) 1.693 5.804 ( -4.079 -10.471 -0.768) 11.264 5.847 ( 1.034 4.335 4.532) 6.356 5.897 ( -1.918 0.402 2.516) 3.189 5.960 ( -2.392 -2.070 3.289) 4.563 5.978 ( 3.208 -4.024 2.974) 5.944 6.127 ( -1.978 0.257 4.530) 4.950 6.156 ( 0.113 -2.387 3.340) 4.107 6.311 ( -2.628 6.540 2.821) 7.592 6.408 ( -4.743 -0.538 -2.031) 5.188 6.422 ( -0.126 1.133 -1.782) 2.116 6.497 ( 0.845 -3.725 0.065) 3.820 6.539 ( 0.768 1.255 -1.264) 1.940 6.576 ( 2.523 -3.563 0.305) 4.377 6.757 ( -11.211 3.019 -7.014) 13.564 6.809 ( -8.669 -2.450 -3.361) 9.616 6.913 ( 6.610 2.193 2.026) 7.252 6.954 ( 11.201 -2.982 1.158) 11.649 6.993 ( 1.993 2.505 2.625) 4.140 7.025 ( 1.217 -0.809 1.038) 1.793 7.097 ( 3.207 0.852 3.492) 4.817 7.124 ( 5.650 -1.265 5.702) 8.126 7.253 ( 1.622 2.539 2.209) 3.736 7.282 ( 0.532 -0.247 2.609) 2.674 7.381 ( 1.685 3.875 -1.914) 4.639 7.491 ( 0.592 -6.924 -4.086) 8.061 7.723 ( -5.128 4.123 3.215) 7.324 7.777 ( -0.566 -0.363 8.228) 8.255 7.794 ( 1.660 4.350 -0.971) 4.756 7.869 ( 0.881 -3.278 -0.046) 3.395 8.059 ( 4.394 5.785 0.392) 7.275 8.107 ( 1.838 8.785 -3.847) 9.765 8.124 ( -0.142 3.608 1.997) 4.126 8.191 ( -1.346 -0.900 6.485) 6.684 8.282 ( 6.639 0.100 6.134) 9.040 8.334 ( 2.143 -5.223 -0.642) 5.681 8.382 ( 7.478 4.853 -4.082) 9.805 8.483 ( 2.818 -2.328 -1.102) 3.818 8.520 ( 4.101 3.970 0.046) 5.708 8.603 ( -0.056 -3.943 0.327) 3.957 8.670 ( 0.253 8.876 -1.231) 8.965 8.779 ( -3.872 -0.047 -5.656) 6.855 8.817 ( -3.420 2.348 -0.675) 4.203 8.853 ( -4.796 -0.150 -2.115) 5.244 8.966 ( 1.053 3.479 -0.847) 3.732 9.039 ( -0.888 -4.780 -2.467) 5.452 9.073 ( -1.097 -0.259 -1.634) 1.985 9.098 ( -0.857 -2.757 -3.175) 4.291 9.164 ( 5.421 -0.354 -0.794) 5.490 9.194 ( -0.165 3.329 2.598) 4.226 9.222 ( 0.140 -4.620 -1.574) 4.883 9.284 ( -3.533 -4.944 4.335) 7.464 9.350 ( -0.428 2.685 -1.455) 3.083 9.426 ( -2.512 -3.645 -4.741) 6.486 9.565 ( 0.606 4.091 -1.923) 4.561 9.647 ( 0.941 -3.038 1.594) 3.558 9.707 ( 4.629 1.604 -3.683) 6.129 9.767 ( 6.527 -4.520 -2.288) 8.262 9.941 ( -0.943 2.775 0.415) 2.960 9.998 ( 2.360 -2.825 -1.719) 4.063 10.161 ( -0.023 2.993 4.933) 5.770 10.215 ( 0.573 -2.536 5.301) 5.905 10.383 ( 1.888 10.039 1.500) 10.325 10.450 ( -0.975 0.877 9.041) 9.136 10.575 ( -1.313 3.309 2.111) 4.138 10.667 ( 2.565 -0.589 0.404) 2.662 10.727 ( 3.115 -2.431 -2.977) 4.947 10.763 ( 0.815 -5.250 -0.332) 5.323 10.912 ( -0.469 0.945 -1.607) 1.923 10.977 ( 0.798 -2.152 -0.960) 2.488 11.020 ( 1.440 -0.829 0.121) 1.666 11.067 ( -2.037 -4.048 -0.651) 4.578 11.212 ( -3.557 3.026 2.435) 5.267 11.282 ( -4.501 -5.067 2.504) 7.225 11.302 ( -7.242 4.877 -0.021) 8.731 11.409 ( -6.015 -6.513 0.317) 8.871 11.715 ( 0.058 4.580 -6.804) 8.202 11.803 ( -0.318 -4.444 -4.320) 6.206 11.851 ( 1.487 4.982 -5.890) 7.857 11.962 ( 0.727 -6.848 -4.224) 8.079 12.199 ( 1.996 7.954 5.901) 10.103 12.331 ( 3.936 -5.929 6.009) 9.314 12.479 ( -3.010 12.997 -0.999) 13.379 12.587 ( 3.510 4.513 -1.962) 6.044 12.761 ( -1.195 -4.847 -0.801) 5.056 12.771 ( -4.369 -7.652 -3.164) 9.362 12.968 ( 4.380 6.702 -3.751) 8.842 13.091 ( 0.912 -6.533 -4.736) 8.121 13.514 ( 1.291 1.410 -1.735) 2.582 13.533 ( 0.181 -0.340 -2.047) 2.083 13.689 ( -0.829 2.269 -2.228) 3.287 13.734 ( -0.805 -2.245 -1.869) 3.030 13.842 ( -0.326 1.798 1.133) 2.150 13.875 ( 0.364 -1.847 0.750) 2.027 14.125 ( -0.706 1.353 -1.724) 2.302 14.139 ( -2.431 0.116 -4.555) 5.164 14.286 ( -1.188 0.043 -2.567) 2.829 14.303 ( -0.657 -1.760 -1.526) 2.420 14.383 ( -2.396 0.524 -3.919) 4.623 14.385 ( -2.838 0.269 -3.897) 4.828 14.579 ( 0.003 -0.052 1.992) 1.993 14.589 ( -1.021 -1.031 1.583) 2.147 14.943 ( -1.436 2.134 4.886) 5.522 14.975 ( -1.446 -1.442 5.371) 5.746 17.833 ( 4.224 0.346 5.998) 7.344 17.848 ( 3.970 -1.299 6.215) 7.488 17.967 ( 1.196 1.222 4.778) 5.075 17.978 ( 1.761 -0.047 4.831) 5.143 18.040 ( -1.708 0.524 0.626) 1.893 18.059 ( 0.299 -1.346 1.988) 2.419 18.179 ( 0.291 0.971 0.925) 1.372 18.201 ( -0.631 -1.394 -0.637) 1.657 18.287 ( -0.985 0.431 -1.076) 1.521 18.302 ( -0.485 -1.210 -1.296) 1.838 18.482 ( -0.242 0.890 -3.227) 3.356 18.492 ( -1.198 -0.306 -3.351) 3.572 18.998 ( -0.776 2.630 0.521) 2.791 19.056 ( -0.498 -3.643 -0.177) 3.681 19.300 ( 0.310 1.180 -1.697) 2.090 19.307 ( 0.432 0.426 -2.237) 2.318 20.121 ( -0.011 5.411 -2.492) 5.957 20.195 ( 3.048 -0.310 -3.588) 4.718 20.265 ( 0.537 6.232 -5.986) 8.657 20.416 ( 1.050 -7.882 -6.699) 10.397 20.640 ( 0.220 2.075 -0.105) 2.089 20.673 ( 0.387 -1.500 -0.387) 1.596 20.907 ( 0.835 0.708 -1.409) 1.785 20.918 ( 0.659 -0.519 -1.087) 1.373 21.469 ( -0.086 3.972 -2.112) 4.499 21.523 ( -0.800 -1.922 -2.276) 3.084 21.627 ( 1.928 0.729 -0.879) 2.241 21.641 ( 3.093 -0.567 -2.067) 3.763 21.781 ( 1.532 0.205 -1.916) 2.462 21.804 ( 2.706 -2.004 -1.922) 3.877 21.977 ( 0.839 1.274 -7.412) 7.567 21.992 ( 0.595 -0.297 -6.408) 6.442 24.724 ( -1.442 1.702 3.152) 3.861 24.756 ( -0.556 -1.710 2.975) 3.476 24.845 ( 0.506 1.032 1.381) 1.797 24.861 ( -0.523 -0.664 0.882) 1.221 24.947 ( -0.386 1.509 0.679) 1.699 24.978 ( -0.360 -1.802 0.797) 2.003 25.127 ( -0.513 0.293 0.369) 0.696 25.131 ( -0.055 -0.156 0.462) 0.490 28.779 ( -0.894 0.814 0.068) 1.211 28.796 ( -0.488 -1.028 -0.213) 1.158 28.865 ( 0.351 0.485 -1.135) 1.283 28.871 ( 0.173 -0.201 -1.264) 1.292 29.105 ( 0.391 0.057 -0.504) 0.640 29.106 ( 0.640 -0.041 -0.448) 0.782 29.164 ( 0.422 0.677 -1.578) 1.768 29.176 ( 0.444 -0.582 -1.734) 1.883 34.940 ( -2.133 2.194 4.298) 5.276 34.969 ( -2.351 -0.945 3.698) 4.483 35.005 ( -0.506 3.180 0.788) 3.314 35.068 ( 5.551 -0.421 8.759) 10.379 35.127 ( 6.654 -4.251 8.549) 11.638 35.130 ( 9.732 -3.303 9.769) 14.180 36.116 ( -9.324 16.154 -4.214) 19.122 36.391 ( -16.688 -13.518 -6.723) 22.504 38.084 ( -3.491 3.587 2.644) 5.661 38.140 ( -1.396 0.398 3.339) 3.641 38.181 ( -1.093 -1.060 4.122) 4.394 38.221 ( 2.256 -3.310 2.617) 4.784 38.355 ( 0.631 3.781 1.054) 3.975 38.454 ( 0.518 -6.138 0.100) 6.161 38.713 ( -0.911 4.313 1.078) 4.538 38.805 ( 1.619 -5.967 -0.542) 6.206 39.207 ( -5.147 3.394 -5.501) 8.263 39.261 ( -5.169 -1.983 -6.444) 8.496 39.515 ( -4.163 1.248 -2.260) 4.898 39.552 ( -3.239 -2.650 -1.113) 4.330 39.750 ( 4.730 4.012 -0.023) 6.202 39.825 ( 5.789 -3.734 1.429) 7.036 39.862 ( 18.919 1.504 -1.001) 19.005 39.899 ( 20.623 -2.432 -2.010) 20.863 40.884 ( -10.606 4.555 1.734) 11.672 40.972 ( -10.819 -5.032 1.595) 12.038 41.310 ( -0.545 2.539 9.940) 10.273 41.363 ( 1.267 -3.209 8.855) 9.504 41.808 ( -18.340 17.320 -2.137) 25.316 42.140 ( 0.441 -0.355 -2.752) 2.810 42.187 ( -8.553 -4.700 -9.505) 13.623 42.452 ( 13.765 -15.237 -9.095) 22.458 ======================= Grid point 65 (34/57) ======================= q-point: ( 0.00 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 57 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.021 ( 2.651 0.000 28.002) 28.128 2.724 ( -18.792 0.000 25.379) 31.579 2.955 ( -12.697 0.000 0.102) 12.697 3.077 ( -6.316 0.000 -7.880) 10.099 3.265 ( -7.725 0.000 -15.054) 16.921 3.378 ( -21.802 0.000 -0.248) 21.803 3.471 ( -8.052 0.000 -12.269) 14.675 3.599 ( -7.336 0.000 -0.228) 7.339 3.731 ( 2.410 0.000 13.173) 13.392 3.740 ( -7.422 0.000 3.162) 8.068 3.813 ( 15.676 0.000 10.114) 18.655 3.891 ( 3.999 0.000 4.807) 6.253 4.281 ( 18.775 0.000 12.923) 22.793 4.330 ( 7.201 0.000 10.289) 12.558 4.357 ( 9.478 0.000 2.944) 9.925 4.684 ( 7.883 0.000 11.625) 14.045 4.778 ( -0.531 0.000 4.458) 4.490 4.802 ( -6.820 0.000 5.217) 8.587 4.895 ( -5.001 0.000 6.702) 8.362 4.907 ( -2.028 0.000 0.808) 2.183 5.002 ( 11.405 0.000 4.761) 12.359 5.149 ( -5.342 0.000 1.025) 5.439 5.176 ( 1.345 0.000 -1.659) 2.135 5.239 ( -5.276 0.000 5.271) 7.458 5.258 ( -4.794 0.000 4.881) 6.842 5.267 ( 0.968 0.000 1.315) 1.633 5.367 ( -3.438 0.000 8.988) 9.623 5.447 ( 3.249 0.000 0.706) 3.325 5.576 ( -2.903 0.000 3.406) 4.475 5.604 ( 5.585 0.000 -1.584) 5.806 5.707 ( 0.266 0.000 7.336) 7.341 5.835 ( -6.435 0.000 -3.970) 7.561 5.874 ( 5.253 0.000 1.969) 5.610 5.880 ( 0.641 0.000 9.956) 9.976 5.953 ( -0.919 0.000 6.308) 6.374 5.995 ( -11.361 0.000 3.134) 11.785 6.092 ( -3.016 0.000 11.240) 11.638 6.120 ( 3.329 0.000 6.330) 7.151 6.184 ( 5.699 0.000 1.470) 5.885 6.231 ( -0.317 0.000 7.902) 7.909 6.308 ( 5.777 0.000 2.891) 6.461 6.392 ( 3.563 0.000 7.012) 7.865 6.487 ( 2.490 0.000 -0.752) 2.601 6.504 ( -8.703 0.000 1.262) 8.794 6.578 ( -0.529 0.000 -1.839) 1.913 6.629 ( -0.445 0.000 4.193) 4.217 6.736 ( -7.744 0.000 2.372) 8.099 6.763 ( -6.081 0.000 -0.616) 6.112 6.785 ( 2.047 0.000 3.509) 4.062 6.905 ( 3.277 0.000 10.582) 11.077 6.955 ( -4.259 0.000 1.464) 4.504 7.102 ( 2.000 0.000 1.752) 2.659 7.140 ( -3.977 0.000 1.666) 4.312 7.184 ( 2.889 0.000 4.263) 5.150 7.317 ( 0.847 0.000 7.438) 7.486 7.479 ( 4.490 0.000 -1.260) 4.663 7.508 ( -0.527 0.000 3.236) 3.278 7.535 ( 3.471 0.000 -4.750) 5.883 7.585 ( -1.727 0.000 2.803) 3.293 7.772 ( 3.220 0.000 2.061) 3.823 7.798 ( -1.570 0.000 -7.475) 7.639 7.802 ( -2.149 0.000 1.821) 2.817 7.848 ( -8.352 0.000 -2.604) 8.749 7.982 ( 0.885 0.000 -0.255) 0.921 8.146 ( -3.455 0.000 -1.907) 3.946 8.205 ( 3.543 0.000 4.233) 5.520 8.242 ( -6.992 0.000 -4.184) 8.149 8.304 ( 1.256 0.000 -3.190) 3.429 8.317 ( 4.184 0.000 2.987) 5.141 8.332 ( -5.260 0.000 -2.050) 5.646 8.399 ( 6.304 0.000 3.110) 7.029 8.520 ( -3.391 0.000 -0.812) 3.487 8.660 ( 0.915 0.000 -3.399) 3.520 8.674 ( -5.875 0.000 -2.376) 6.337 8.743 ( -0.980 0.000 3.148) 3.297 8.827 ( 6.267 0.000 -2.508) 6.750 8.838 ( 0.575 0.000 -3.498) 3.545 8.936 ( -0.497 0.000 -8.183) 8.198 9.043 ( -3.187 0.000 2.419) 4.001 9.052 ( -0.575 0.000 -3.571) 3.616 9.217 ( 3.980 0.000 -2.965) 4.963 9.223 ( -0.729 0.000 4.151) 4.215 9.295 ( -2.308 0.000 -2.175) 3.171 9.328 ( -1.642 0.000 0.901) 1.873 9.467 ( 3.343 0.000 -13.494) 13.902 9.490 ( 10.331 0.000 4.019) 11.085 9.595 ( -3.314 0.000 1.383) 3.591 9.646 ( -2.501 0.000 -3.394) 4.216 9.784 ( 3.167 0.000 2.525) 4.050 9.939 ( -1.348 0.000 4.208) 4.418 10.018 ( -1.261 0.000 -5.462) 5.606 10.043 ( 1.001 0.000 4.965) 5.065 10.084 ( -1.040 0.000 7.337) 7.410 10.226 ( -2.669 0.000 3.627) 4.504 10.320 ( -5.475 0.000 2.767) 6.135 10.420 ( -10.250 0.000 -5.927) 11.840 10.626 ( 2.051 0.000 -0.988) 2.277 10.764 ( 1.689 0.000 0.632) 1.803 10.810 ( -4.295 0.000 11.908) 12.659 10.840 ( 0.828 0.000 0.213) 0.855 10.891 ( -4.063 0.000 -2.182) 4.612 10.979 ( 1.657 0.000 5.873) 6.102 11.022 ( 3.416 0.000 -4.873) 5.951 11.054 ( 0.979 0.000 1.184) 1.536 11.090 ( -2.430 0.000 -2.519) 3.500 11.288 ( 2.234 0.000 4.285) 4.832 11.388 ( 3.867 0.000 -8.942) 9.743 11.515 ( 3.197 0.000 -6.189) 6.966 11.637 ( -0.295 0.000 -2.344) 2.363 11.719 ( 6.130 0.000 -5.412) 8.177 11.795 ( -1.643 0.000 -14.897) 14.987 11.886 ( -2.200 0.000 0.342) 2.226 12.080 ( 1.071 0.000 4.085) 4.223 12.294 ( 0.729 0.000 6.314) 6.356 12.316 ( 3.350 0.000 -5.181) 6.170 12.534 ( -0.726 0.000 -7.470) 7.505 12.773 ( 1.207 0.000 2.517) 2.791 12.868 ( 0.850 0.000 -0.931) 1.261 12.869 ( -3.351 0.000 -0.252) 3.360 13.000 ( 3.978 0.000 -3.908) 5.577 13.516 ( 0.891 0.000 2.558) 2.709 13.633 ( 9.307 0.000 1.684) 9.458 13.681 ( 2.873 0.000 0.433) 2.906 13.682 ( -6.065 0.000 -0.046) 6.066 13.894 ( -3.743 0.000 -2.019) 4.253 13.943 ( -7.044 0.000 -1.560) 7.215 13.980 ( 1.955 0.000 4.609) 5.007 14.017 ( 4.624 0.000 1.868) 4.987 14.189 ( -1.156 0.000 -1.534) 1.921 14.282 ( -0.056 0.000 -2.217) 2.217 14.303 ( 4.895 0.000 3.120) 5.805 14.355 ( 2.456 0.000 -2.407) 3.439 14.580 ( 0.398 0.000 1.563) 1.613 14.722 ( -0.464 0.000 0.992) 1.095 14.904 ( -1.437 0.000 3.148) 3.461 15.029 ( -2.485 0.000 0.916) 2.648 17.879 ( -4.468 0.000 -0.125) 4.470 17.954 ( -2.658 0.000 -1.280) 2.950 18.018 ( -4.634 0.000 -4.879) 6.728 18.024 ( -2.189 0.000 -2.413) 3.257 18.078 ( -1.105 0.000 1.378) 1.767 18.108 ( 1.610 0.000 1.383) 2.123 18.229 ( 2.076 0.000 0.824) 2.233 18.273 ( -1.226 0.000 -2.384) 2.681 18.290 ( 0.921 0.000 2.654) 2.810 18.339 ( 1.576 0.000 0.508) 1.656 18.367 ( 0.420 0.000 2.435) 2.470 18.396 ( 3.409 0.000 2.039) 3.972 19.013 ( 1.155 0.000 2.035) 2.340 19.108 ( 0.700 0.000 -2.474) 2.572 19.239 ( 0.172 0.000 0.128) 0.214 19.246 ( 0.183 0.000 -0.182) 0.258 19.982 ( -0.859 0.000 2.928) 3.052 20.050 ( -0.555 0.000 2.783) 2.838 20.191 ( 0.919 0.000 -5.401) 5.478 20.414 ( 2.073 0.000 -7.546) 7.825 20.600 ( -0.505 0.000 1.163) 1.268 20.685 ( 0.385 0.000 -1.257) 1.314 20.871 ( 0.420 0.000 -0.694) 0.811 20.908 ( 0.176 0.000 -1.258) 1.270 21.406 ( -0.678 0.000 3.088) 3.161 21.544 ( 1.834 0.000 -3.829) 4.246 21.630 ( 0.768 0.000 -1.295) 1.506 21.634 ( 0.754 0.000 0.322) 0.820 21.713 ( -0.751 0.000 -1.485) 1.664 21.759 ( -3.425 0.000 -4.096) 5.339 21.781 ( 1.662 0.000 -5.348) 5.600 21.916 ( 0.657 0.000 -1.940) 2.048 24.730 ( -1.268 0.000 2.606) 2.898 24.803 ( 0.392 0.000 0.128) 0.413 24.864 ( -1.861 0.000 1.690) 2.514 24.917 ( 1.307 0.000 -0.734) 1.499 24.952 ( 0.799 0.000 2.027) 2.179 25.035 ( -0.858 0.000 -0.204) 0.881 25.083 ( 0.759 0.000 2.103) 2.236 25.141 ( -0.723 0.000 0.270) 0.772 28.783 ( 0.674 0.000 0.746) 1.005 28.820 ( -0.045 0.000 -0.835) 0.836 28.830 ( 0.159 0.000 -0.313) 0.351 28.845 ( 0.408 0.000 -1.108) 1.181 29.087 ( -0.525 0.000 -0.183) 0.556 29.105 ( 0.080 0.000 -0.352) 0.361 29.119 ( 0.297 0.000 -1.273) 1.307 29.148 ( 0.292 0.000 -1.711) 1.736 34.967 ( -0.723 0.000 3.769) 3.838 34.982 ( -0.095 0.000 6.543) 6.543 35.125 ( 7.991 0.000 0.480) 8.005 35.323 ( -5.547 0.000 0.195) 5.551 35.407 ( -6.027 0.000 -5.388) 8.084 35.501 ( 1.280 0.000 14.331) 14.388 35.779 ( -16.720 0.000 -14.731) 22.283 36.191 ( 29.449 0.000 -8.232) 30.578 38.082 ( 1.500 0.000 2.803) 3.179 38.180 ( 1.418 0.000 0.813) 1.635 38.247 ( -3.175 0.000 3.108) 4.443 38.299 ( -1.211 0.000 1.490) 1.920 38.328 ( -1.634 0.000 1.266) 2.067 38.510 ( -0.285 0.000 -3.622) 3.633 38.675 ( -1.029 0.000 2.946) 3.121 38.876 ( 6.334 0.000 -6.029) 8.744 39.022 ( 0.529 0.000 -4.360) 4.392 39.027 ( -5.244 0.000 -2.053) 5.631 39.358 ( -6.538 0.000 -3.288) 7.318 39.382 ( 4.315 0.000 -3.584) 5.609 39.987 ( 6.132 0.000 4.492) 7.601 40.109 ( -4.523 0.000 4.279) 6.226 40.185 ( 9.328 0.000 -1.271) 9.415 40.508 ( 23.199 0.000 -7.324) 24.328 40.604 ( -5.160 0.000 2.643) 5.797 40.735 ( -1.180 0.000 -2.976) 3.202 41.126 ( -3.674 0.000 4.288) 5.647 41.509 ( -23.150 0.000 -7.066) 24.204 41.552 ( -1.049 0.000 8.662) 8.725 41.924 ( -7.609 0.000 -3.531) 8.388 42.006 ( -0.488 0.000 13.076) 13.085 42.797 ( 13.304 0.000 -11.903) 17.851 ======================= Grid point 66 (35/57) ======================= q-point: ( 0.25 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.333 ( 15.621 0.000 26.260) 30.555 2.438 ( -15.642 0.000 7.793) 17.475 2.761 ( -6.065 0.000 14.573) 15.785 2.818 ( -28.459 0.000 12.217) 30.971 2.878 ( -3.388 0.000 -0.656) 3.451 3.183 ( 2.649 0.000 -12.240) 12.523 3.360 ( 0.650 0.000 -4.472) 4.519 3.479 ( -2.056 0.000 -1.468) 2.526 3.649 ( -4.490 0.000 4.073) 6.062 3.675 ( -0.977 0.000 2.960) 3.117 3.854 ( -5.774 0.000 8.672) 10.418 4.300 ( 7.446 0.000 -1.156) 7.535 4.439 ( 4.714 0.000 2.053) 5.141 4.540 ( 5.653 0.000 5.158) 7.652 4.629 ( -3.179 0.000 3.030) 4.392 4.646 ( -3.587 0.000 7.353) 8.181 4.717 ( 6.677 0.000 5.045) 8.369 4.834 ( -5.937 0.000 2.164) 6.319 4.913 ( 6.804 0.000 5.974) 9.054 4.941 ( -7.524 0.000 -1.271) 7.631 4.953 ( 2.778 0.000 11.330) 11.666 5.071 ( -11.306 0.000 8.092) 13.903 5.174 ( 1.409 0.000 -0.241) 1.429 5.312 ( 3.170 0.000 -0.893) 3.293 5.315 ( 6.645 0.000 9.366) 11.483 5.372 ( 10.389 0.000 3.588) 10.991 5.449 ( -0.776 0.000 2.644) 2.755 5.577 ( 12.233 0.000 -3.931) 12.849 5.617 ( 0.790 0.000 2.851) 2.958 5.688 ( -3.561 0.000 -1.621) 3.913 5.699 ( -0.803 0.000 -2.374) 2.506 5.759 ( 2.210 0.000 10.507) 10.737 5.813 ( -2.676 0.000 10.568) 10.902 5.874 ( 0.906 0.000 5.394) 5.469 6.006 ( 3.386 0.000 6.673) 7.483 6.039 ( -9.536 0.000 7.595) 12.191 6.079 ( -4.249 0.000 3.824) 5.716 6.125 ( 7.664 0.000 13.944) 15.912 6.232 ( 0.115 0.000 10.336) 10.336 6.235 ( -3.933 0.000 6.668) 7.741 6.312 ( -9.741 0.000 -4.426) 10.699 6.375 ( 3.156 0.000 8.866) 9.411 6.473 ( 0.052 0.000 5.814) 5.814 6.543 ( -2.937 0.000 -0.075) 2.938 6.610 ( -2.230 0.000 1.208) 2.536 6.620 ( -1.667 0.000 3.551) 3.923 6.700 ( 12.247 0.000 0.568) 12.260 6.774 ( 5.484 0.000 2.200) 5.909 6.789 ( -1.114 0.000 1.949) 2.245 6.958 ( 2.083 0.000 5.813) 6.175 7.022 ( -3.526 0.000 2.198) 4.155 7.089 ( 0.850 0.000 6.612) 6.666 7.094 ( -2.465 0.000 -1.645) 2.963 7.183 ( -12.055 0.000 -7.136) 14.009 7.242 ( -3.135 0.000 7.032) 7.699 7.440 ( 0.796 0.000 -3.461) 3.552 7.519 ( -1.865 0.000 2.294) 2.956 7.532 ( -0.465 0.000 -6.746) 6.762 7.590 ( 2.249 0.000 8.121) 8.426 7.667 ( -6.258 0.000 -4.181) 7.526 7.678 ( -3.647 0.000 4.981) 6.173 7.726 ( -6.854 0.000 -0.758) 6.895 7.842 ( 2.512 0.000 -0.635) 2.591 7.972 ( -10.354 0.000 0.109) 10.355 7.991 ( 4.140 0.000 -5.325) 6.746 8.190 ( 1.957 0.000 1.767) 2.637 8.192 ( -4.806 0.000 1.716) 5.103 8.296 ( 2.902 0.000 -0.305) 2.918 8.367 ( 3.426 0.000 6.688) 7.514 8.431 ( -7.345 0.000 -1.854) 7.575 8.455 ( 3.077 0.000 6.754) 7.422 8.547 ( -4.780 0.000 2.710) 5.494 8.633 ( 3.905 0.000 1.824) 4.310 8.661 ( 3.245 0.000 -8.695) 9.280 8.760 ( 5.357 0.000 0.721) 5.405 8.859 ( 1.772 0.000 -10.523) 10.671 8.922 ( 2.712 0.000 -2.307) 3.561 8.933 ( 7.775 0.000 -3.555) 8.549 9.026 ( 0.385 0.000 0.600) 0.712 9.027 ( 0.536 0.000 -3.325) 3.368 9.181 ( -5.376 0.000 2.362) 5.872 9.202 ( -4.168 0.000 -1.874) 4.570 9.226 ( -0.370 0.000 -4.840) 4.854 9.289 ( -2.363 0.000 -0.695) 2.464 9.466 ( 0.255 0.000 -10.787) 10.790 9.514 ( -5.865 0.000 -4.686) 7.507 9.545 ( -0.889 0.000 0.899) 1.264 9.710 ( 6.986 0.000 5.637) 8.976 9.751 ( -5.627 0.000 2.519) 6.165 9.909 ( -5.636 0.000 -2.668) 6.236 9.944 ( -1.497 0.000 7.425) 7.574 10.047 ( -3.876 0.000 0.621) 3.925 10.140 ( -1.305 0.000 4.953) 5.122 10.145 ( 6.765 0.000 1.101) 6.855 10.212 ( -5.311 0.000 4.233) 6.792 10.355 ( 0.993 0.000 2.372) 2.572 10.602 ( -1.899 0.000 -4.181) 4.592 10.740 ( -4.292 0.000 10.352) 11.206 10.761 ( -3.230 0.000 -5.991) 6.806 10.829 ( -0.327 0.000 10.225) 10.230 10.880 ( -0.956 0.000 5.709) 5.788 11.031 ( 2.091 0.000 2.331) 3.132 11.067 ( 3.558 0.000 3.545) 5.022 11.152 ( 7.030 0.000 -6.900) 9.850 11.155 ( 6.343 0.000 -7.954) 10.174 11.367 ( 2.384 0.000 0.443) 2.425 11.438 ( 4.563 0.000 -9.752) 10.767 11.498 ( -1.907 0.000 -7.402) 7.644 11.686 ( 4.519 0.000 1.620) 4.800 11.714 ( -0.173 0.000 -13.299) 13.300 11.822 ( -3.144 0.000 -4.029) 5.110 11.837 ( 6.887 0.000 -5.285) 8.681 12.116 ( 0.432 0.000 3.565) 3.591 12.312 ( -1.547 0.000 4.023) 4.310 12.379 ( 4.689 0.000 -7.081) 8.493 12.456 ( -3.779 0.000 -3.192) 4.947 12.649 ( -7.190 0.000 3.262) 7.895 12.805 ( -1.583 0.000 -1.762) 2.368 13.002 ( -1.499 0.000 -6.242) 6.420 13.067 ( 10.333 0.000 -0.910) 10.373 13.506 ( -0.982 0.000 2.763) 2.932 13.533 ( -6.321 0.000 -0.816) 6.373 13.741 ( -1.959 0.000 -2.355) 3.063 13.799 ( 1.901 0.000 -2.598) 3.220 13.850 ( 1.321 0.000 3.400) 3.648 13.861 ( 2.063 0.000 1.423) 2.506 14.026 ( -1.383 0.000 -1.815) 2.282 14.045 ( 3.129 0.000 4.565) 5.534 14.243 ( 3.699 0.000 1.587) 4.025 14.287 ( 0.381 0.000 -2.025) 2.060 14.383 ( 1.794 0.000 -3.944) 4.333 14.393 ( 1.089 0.000 -0.816) 1.361 14.599 ( 1.114 0.000 3.406) 3.583 14.680 ( -3.201 0.000 -0.558) 3.249 14.925 ( 1.256 0.000 5.001) 5.156 15.010 ( 0.765 0.000 0.863) 1.153 17.827 ( -0.775 0.000 2.090) 2.229 17.901 ( -3.321 0.000 -0.926) 3.448 17.923 ( -0.195 0.000 -0.307) 0.364 17.950 ( -1.797 0.000 -0.617) 1.900 18.086 ( 0.543 0.000 1.404) 1.506 18.141 ( 0.684 0.000 0.342) 0.765 18.227 ( -2.406 0.000 -0.831) 2.546 18.241 ( -0.583 0.000 -1.107) 1.251 18.320 ( 1.737 0.000 2.212) 2.813 18.328 ( -2.037 0.000 0.418) 2.079 18.402 ( 0.402 0.000 2.756) 2.785 18.466 ( 1.954 0.000 -1.074) 2.230 19.023 ( -0.812 0.000 0.707) 1.077 19.111 ( 0.562 0.000 -2.424) 2.489 19.243 ( -0.280 0.000 -0.648) 0.705 19.250 ( 0.469 0.000 0.598) 0.760 19.988 ( 0.072 0.000 3.334) 3.335 20.042 ( -1.214 0.000 2.438) 2.724 20.186 ( 0.975 0.000 -5.512) 5.597 20.420 ( 1.564 0.000 -7.770) 7.926 20.598 ( -0.148 0.000 1.217) 1.226 20.685 ( 0.092 0.000 -1.169) 1.172 20.869 ( -0.185 0.000 -0.920) 0.939 20.905 ( 0.109 0.000 -1.290) 1.295 21.407 ( -0.539 0.000 3.319) 3.362 21.560 ( 0.879 0.000 -3.753) 3.855 21.595 ( -2.174 0.000 -2.932) 3.650 21.613 ( -1.592 0.000 -1.685) 2.318 21.726 ( 1.303 0.000 1.251) 1.806 21.733 ( 1.830 0.000 0.132) 1.835 21.791 ( 1.455 0.000 -5.962) 6.137 21.914 ( 0.256 0.000 -2.810) 2.822 24.732 ( 0.584 0.000 2.697) 2.760 24.826 ( -2.196 0.000 1.190) 2.497 24.828 ( 1.667 0.000 0.377) 1.709 24.943 ( 0.657 0.000 -0.130) 0.670 24.956 ( -0.881 0.000 2.147) 2.321 24.996 ( -2.040 0.000 -0.520) 2.106 25.127 ( -0.306 0.000 -0.472) 0.562 25.130 ( 1.718 0.000 2.547) 3.072 28.800 ( 0.620 0.000 0.151) 0.638 28.817 ( 0.168 0.000 -0.830) 0.847 28.822 ( -0.774 0.000 -0.475) 0.908 28.849 ( 0.364 0.000 -1.052) 1.114 29.078 ( -0.108 0.000 0.051) 0.120 29.105 ( 0.031 0.000 -0.176) 0.179 29.119 ( 0.179 0.000 -1.225) 1.238 29.147 ( 0.355 0.000 -1.732) 1.768 34.924 ( -2.243 0.000 2.174) 3.123 35.084 ( 3.930 0.000 11.936) 12.566 35.212 ( -5.608 0.000 -1.932) 5.932 35.214 ( -5.629 0.000 2.914) 6.338 35.335 ( 5.018 0.000 -1.496) 5.236 35.364 ( -13.635 0.000 -8.046) 15.832 35.551 ( -0.923 0.000 7.506) 7.562 36.660 ( 17.599 0.000 -22.488) 28.556 38.136 ( 0.640 0.000 1.495) 1.626 38.179 ( -1.802 0.000 1.102) 2.112 38.200 ( -0.396 0.000 3.843) 3.864 38.295 ( -0.201 0.000 2.060) 2.070 38.360 ( 3.452 0.000 2.286) 4.140 38.491 ( 0.364 0.000 -3.755) 3.772 38.652 ( -1.819 0.000 1.918) 2.643 38.908 ( -5.081 0.000 -2.704) 5.755 39.037 ( 11.222 0.000 -4.082) 11.942 39.093 ( 7.372 0.000 -2.068) 7.656 39.307 ( 3.072 0.000 -3.492) 4.651 39.508 ( 7.469 0.000 -0.547) 7.489 39.820 ( -16.070 0.000 -0.893) 16.094 39.893 ( -14.720 0.000 -0.160) 14.721 39.967 ( -19.687 0.000 -4.841) 20.274 40.494 ( -15.684 0.000 -7.672) 17.460 40.799 ( 16.127 0.000 3.977) 16.610 41.138 ( 8.770 0.000 -0.361) 8.778 41.223 ( 7.093 0.000 11.905) 13.857 41.348 ( 30.562 0.000 -4.515) 30.894 41.504 ( -6.572 0.000 8.723) 10.921 41.781 ( -8.597 0.000 -2.039) 8.835 41.974 ( -7.059 0.000 9.346) 11.713 42.919 ( 3.856 0.000 -15.901) 16.362 ======================= Grid point 67 (36/57) ======================= q-point: (-0.50 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 57 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.262 ( -1.009 0.000 19.234) 19.261 2.318 ( -23.757 0.000 17.917) 29.757 2.862 ( 23.255 0.000 23.414) 33.001 2.897 ( 10.152 0.000 16.869) 19.688 3.078 ( 16.760 0.000 17.511) 24.240 3.334 ( 13.102 0.000 -2.089) 13.267 3.348 ( -3.319 0.000 3.370) 4.730 3.495 ( 3.144 0.000 2.226) 3.852 3.694 ( 10.432 0.000 -7.416) 12.800 3.722 ( 4.036 0.000 0.257) 4.044 3.800 ( -2.388 0.000 3.835) 4.518 4.117 ( -13.173 0.000 -8.634) 15.750 4.383 ( -14.169 0.000 7.407) 15.988 4.450 ( -17.532 0.000 6.934) 18.853 4.527 ( -13.551 0.000 8.797) 16.156 4.533 ( -13.434 0.000 9.244) 16.307 4.759 ( -0.429 0.000 4.216) 4.238 4.813 ( -0.373 0.000 5.406) 5.418 4.825 ( -1.727 0.000 5.256) 5.532 4.949 ( -5.107 0.000 0.820) 5.172 5.001 ( 3.069 0.000 4.087) 5.111 5.051 ( -0.551 0.000 5.792) 5.818 5.234 ( -4.275 0.000 5.286) 6.798 5.281 ( 3.473 0.000 4.613) 5.774 5.379 ( 2.905 0.000 2.968) 4.153 5.498 ( 5.777 0.000 7.339) 9.340 5.540 ( -4.817 0.000 -1.294) 4.988 5.561 ( 6.932 0.000 -4.531) 8.281 5.600 ( -4.341 0.000 7.926) 9.037 5.677 ( -6.245 0.000 3.245) 7.037 5.714 ( -8.480 0.000 -3.879) 9.325 5.779 ( -6.343 0.000 -2.488) 6.814 5.898 ( 12.499 0.000 5.191) 13.534 5.951 ( -5.662 0.000 2.336) 6.125 5.971 ( 5.599 0.000 5.964) 8.181 6.070 ( -0.022 0.000 0.606) 0.606 6.107 ( 3.706 0.000 5.334) 6.495 6.114 ( -0.496 0.000 7.921) 7.936 6.180 ( -4.565 0.000 9.518) 10.556 6.277 ( -5.874 0.000 5.343) 7.940 6.341 ( -2.619 0.000 6.641) 7.138 6.388 ( 9.402 0.000 6.382) 11.363 6.413 ( -1.847 0.000 0.778) 2.004 6.615 ( -5.890 0.000 -5.347) 7.955 6.631 ( -9.287 0.000 -6.031) 11.073 6.642 ( 8.891 0.000 10.924) 14.085 6.700 ( -0.924 0.000 -3.387) 3.511 6.785 ( 5.356 0.000 4.427) 6.949 6.876 ( -0.323 0.000 -0.958) 1.011 6.942 ( 1.691 0.000 2.335) 2.883 6.982 ( -0.436 0.000 1.627) 1.684 7.010 ( 0.274 0.000 -5.656) 5.662 7.078 ( -7.904 0.000 4.154) 8.929 7.150 ( 4.812 0.000 0.433) 4.831 7.183 ( 2.128 0.000 0.553) 2.198 7.410 ( -5.563 0.000 -3.734) 6.700 7.454 ( -6.180 0.000 -6.773) 9.169 7.459 ( -8.026 0.000 3.334) 8.691 7.564 ( -1.030 0.000 6.485) 6.567 7.613 ( 10.500 0.000 -5.343) 11.781 7.694 ( -0.537 0.000 3.796) 3.833 7.773 ( 5.043 0.000 6.186) 7.981 7.849 ( -0.428 0.000 4.643) 4.662 7.919 ( 4.888 0.000 -3.243) 5.866 8.024 ( -1.673 0.000 -5.586) 5.831 8.114 ( -2.259 0.000 5.652) 6.087 8.203 ( -0.546 0.000 -0.848) 1.008 8.279 ( 4.232 0.000 1.530) 4.500 8.370 ( -3.238 0.000 5.642) 6.505 8.487 ( 0.841 0.000 -1.659) 1.860 8.527 ( -2.198 0.000 1.661) 2.755 8.582 ( 12.782 0.000 8.344) 15.264 8.588 ( -4.686 0.000 1.925) 5.066 8.728 ( 4.749 0.000 -5.021) 6.911 8.750 ( 0.064 0.000 -4.339) 4.339 8.883 ( -5.352 0.000 -1.409) 5.534 8.887 ( -4.774 0.000 -1.144) 4.910 9.018 ( 4.793 0.000 -5.320) 7.160 9.038 ( -3.238 0.000 -1.032) 3.398 9.099 ( 0.975 0.000 -4.872) 4.968 9.100 ( 2.630 0.000 -7.829) 8.259 9.181 ( 5.141 0.000 -2.539) 5.734 9.222 ( 2.509 0.000 -5.472) 6.020 9.256 ( -0.135 0.000 -2.788) 2.791 9.412 ( -3.104 0.000 0.481) 3.141 9.454 ( 1.312 0.000 3.853) 4.070 9.537 ( 0.464 0.000 -0.177) 0.496 9.686 ( -1.309 0.000 5.281) 5.441 9.753 ( -2.822 0.000 -1.154) 3.048 9.926 ( 4.959 0.000 3.358) 5.989 9.931 ( -1.969 0.000 4.725) 5.119 9.997 ( -0.042 0.000 -0.019) 0.046 10.123 ( -4.288 0.000 4.377) 6.127 10.163 ( 0.577 0.000 6.876) 6.900 10.304 ( 6.428 0.000 -0.073) 6.429 10.393 ( 1.484 0.000 2.023) 2.509 10.550 ( -0.523 0.000 -3.452) 3.492 10.688 ( -0.397 0.000 -5.571) 5.585 10.704 ( -3.552 0.000 13.054) 13.528 10.874 ( 0.604 0.000 7.376) 7.400 10.918 ( 2.150 0.000 4.894) 5.345 11.090 ( -0.899 0.000 -6.640) 6.701 11.094 ( 0.356 0.000 3.592) 3.609 11.210 ( 1.667 0.000 -6.397) 6.610 11.236 ( 0.961 0.000 2.749) 2.912 11.355 ( -3.344 0.000 2.922) 4.441 11.424 ( -1.846 0.000 -7.055) 7.292 11.486 ( 3.079 0.000 -6.720) 7.392 11.673 ( 0.481 0.000 -10.646) 10.657 11.690 ( -2.905 0.000 -4.024) 4.962 11.833 ( 4.437 0.000 1.668) 4.740 11.925 ( 3.359 0.000 -6.918) 7.690 12.115 ( -2.750 0.000 5.860) 6.473 12.270 ( -2.557 0.000 0.884) 2.705 12.339 ( -4.009 0.000 -0.033) 4.009 12.479 ( 5.665 0.000 -8.685) 10.369 12.581 ( -1.268 0.000 6.499) 6.622 12.811 ( 2.875 0.000 -1.716) 3.348 12.938 ( -1.367 0.000 -4.159) 4.378 13.155 ( -0.719 0.000 -8.461) 8.492 13.442 ( -1.856 0.000 -1.288) 2.259 13.499 ( -1.589 0.000 -2.007) 2.560 13.654 ( -2.331 0.000 1.182) 2.614 13.787 ( -0.462 0.000 1.187) 1.273 13.866 ( -1.747 0.000 0.548) 1.831 13.904 ( 1.237 0.000 0.864) 1.508 14.057 ( 3.609 0.000 1.021) 3.751 14.130 ( 0.816 0.000 0.662) 1.051 14.240 ( -1.348 0.000 -4.840) 5.024 14.274 ( -0.356 0.000 -3.048) 3.069 14.335 ( -3.842 0.000 -4.765) 6.121 14.391 ( -0.186 0.000 -4.324) 4.328 14.638 ( -0.138 0.000 2.125) 2.130 14.646 ( 0.803 0.000 1.089) 1.353 14.955 ( -0.585 0.000 3.816) 3.860 15.048 ( 1.828 0.000 0.777) 1.986 17.861 ( 3.343 0.000 5.409) 6.359 17.931 ( 3.784 0.000 6.733) 7.724 17.934 ( 1.741 0.000 2.262) 2.855 17.982 ( 2.917 0.000 3.952) 4.912 18.098 ( -0.759 0.000 1.055) 1.300 18.128 ( -1.408 0.000 -0.114) 1.412 18.177 ( -1.222 0.000 0.706) 1.411 18.240 ( -0.832 0.000 -0.115) 0.840 18.281 ( -0.575 0.000 -2.731) 2.791 18.331 ( -1.941 0.000 -0.032) 1.942 18.400 ( -0.363 0.000 -0.830) 0.906 18.463 ( -1.188 0.000 -3.002) 3.229 18.996 ( -1.696 0.000 0.575) 1.791 19.110 ( 0.358 0.000 -2.709) 2.732 19.235 ( 0.006 0.000 -0.746) 0.746 19.255 ( -0.069 0.000 -0.440) 0.446 20.006 ( -0.403 0.000 4.746) 4.763 20.027 ( -0.536 0.000 1.074) 1.200 20.187 ( 1.198 0.000 -5.005) 5.147 20.413 ( 1.092 0.000 -7.977) 8.051 20.602 ( 0.026 0.000 1.244) 1.245 20.681 ( 0.088 0.000 -1.008) 1.012 20.861 ( -0.127 0.000 -0.829) 0.839 20.905 ( 0.373 0.000 -1.311) 1.363 21.410 ( -0.478 0.000 2.608) 2.652 21.536 ( -0.380 0.000 -3.796) 3.815 21.581 ( 0.871 0.000 -1.665) 1.879 21.586 ( -0.664 0.000 1.286) 1.447 21.752 ( 1.367 0.000 -2.757) 3.077 21.786 ( 0.175 0.000 -4.497) 4.501 21.794 ( 3.376 0.000 -0.013) 3.376 21.907 ( 0.420 0.000 -4.166) 4.187 24.765 ( 0.011 0.000 2.704) 2.704 24.809 ( 1.263 0.000 2.403) 2.714 24.851 ( -0.551 0.000 0.546) 0.776 24.913 ( -1.501 0.000 -0.872) 1.736 24.933 ( -2.196 0.000 1.869) 2.884 24.997 ( 1.453 0.000 -0.406) 1.509 25.131 ( 0.719 0.000 0.104) 0.727 25.149 ( -0.743 0.000 0.680) 1.007 28.795 ( -1.315 0.000 -0.126) 1.321 28.812 ( 0.394 0.000 -0.110) 0.409 28.820 ( 0.352 0.000 -0.818) 0.891 28.849 ( 0.098 0.000 -1.222) 1.226 29.086 ( 0.686 0.000 0.096) 0.692 29.104 ( -0.094 0.000 -0.147) 0.175 29.118 ( 0.211 0.000 -1.206) 1.225 29.148 ( 0.403 0.000 -1.696) 1.743 34.902 ( -0.594 0.000 1.457) 1.573 35.068 ( -6.577 0.000 -3.389) 7.399 35.119 ( -5.218 0.000 4.814) 7.099 35.180 ( 1.505 0.000 7.683) 7.829 35.230 ( 4.065 0.000 16.870) 17.353 35.483 ( 6.041 0.000 -3.668) 7.067 35.526 ( -3.321 0.000 1.738) 3.748 36.678 ( -5.225 0.000 -24.433) 24.985 38.102 ( -2.612 0.000 1.960) 3.266 38.149 ( -1.482 0.000 2.926) 3.279 38.251 ( 1.201 0.000 2.314) 2.607 38.319 ( 1.340 0.000 3.896) 4.120 38.420 ( 0.692 0.000 -0.161) 0.711 38.500 ( 2.147 0.000 -5.594) 5.992 38.634 ( -0.422 0.000 2.325) 2.363 38.824 ( -1.440 0.000 -3.276) 3.578 39.240 ( 5.203 0.000 -1.137) 5.326 39.286 ( 9.611 0.000 -2.859) 10.027 39.411 ( -11.502 0.000 -1.997) 11.674 39.471 ( 15.137 0.000 -2.456) 15.335 39.599 ( -10.994 0.000 -3.931) 11.676 39.625 ( -6.761 0.000 -5.234) 8.550 39.778 ( 10.070 0.000 3.579) 10.687 40.037 ( -20.770 0.000 -2.583) 20.930 41.062 ( 1.483 0.000 6.999) 7.154 41.341 ( 0.719 0.000 6.016) 6.058 41.413 ( 11.179 0.000 -1.864) 11.334 41.464 ( -0.958 0.000 12.283) 12.320 41.522 ( -11.987 0.000 -0.939) 12.024 41.843 ( -6.274 0.000 8.770) 10.783 41.969 ( 28.907 0.000 -9.758) 30.509 42.799 ( -8.797 0.000 -19.945) 21.798 ======================= Grid point 68 (37/57) ======================= q-point: (-0.25 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.019 ( -13.075 0.000 24.641) 27.895 2.593 ( 17.337 0.000 31.700) 36.131 3.147 ( -1.641 0.000 -1.911) 2.519 3.182 ( -0.534 0.000 10.252) 10.266 3.426 ( -1.364 0.000 -12.843) 12.916 3.438 ( 21.696 0.000 17.673) 27.983 3.559 ( 3.772 0.000 10.716) 11.360 3.669 ( 0.626 0.000 -0.696) 0.937 3.676 ( -15.116 0.000 9.776) 18.002 3.752 ( 0.246 0.000 -2.493) 2.505 3.829 ( 8.845 0.000 1.447) 8.962 3.872 ( -10.148 0.000 -8.592) 13.296 4.077 ( 8.273 0.000 4.859) 9.594 4.138 ( -18.038 0.000 11.629) 21.462 4.249 ( -7.941 0.000 17.280) 19.017 4.495 ( 1.705 0.000 11.840) 11.963 4.785 ( 1.829 0.000 9.365) 9.542 4.813 ( -4.204 0.000 5.215) 6.699 4.889 ( 3.804 0.000 -0.703) 3.868 4.911 ( 1.324 0.000 7.337) 7.455 4.986 ( -5.225 0.000 3.263) 6.160 5.098 ( 5.204 0.000 0.153) 5.206 5.203 ( -4.588 0.000 7.137) 8.485 5.280 ( -2.767 0.000 2.816) 3.948 5.364 ( -10.288 0.000 -1.537) 10.402 5.437 ( -2.975 0.000 3.983) 4.971 5.454 ( -10.432 0.000 0.644) 10.452 5.512 ( -10.405 0.000 8.337) 13.333 5.515 ( 3.292 0.000 -3.838) 5.056 5.657 ( -3.831 0.000 5.490) 6.695 5.684 ( 5.315 0.000 -4.913) 7.238 5.736 ( 5.667 0.000 5.785) 8.098 5.852 ( -1.658 0.000 4.975) 5.244 5.929 ( -8.328 0.000 -4.107) 9.286 6.037 ( -7.028 0.000 7.058) 9.961 6.054 ( -0.936 0.000 -1.254) 1.565 6.083 ( -0.637 0.000 12.544) 12.560 6.186 ( 1.601 0.000 7.328) 7.501 6.209 ( -1.320 0.000 2.525) 2.849 6.241 ( 2.167 0.000 1.362) 2.559 6.271 ( -8.109 0.000 -12.626) 15.006 6.353 ( -6.252 0.000 9.927) 11.731 6.386 ( -5.869 0.000 0.247) 5.874 6.526 ( 7.685 0.000 5.213) 9.286 6.577 ( 1.727 0.000 5.315) 5.588 6.677 ( 3.470 0.000 -2.843) 4.486 6.739 ( -10.526 0.000 0.991) 10.573 6.819 ( -2.883 0.000 5.753) 6.436 6.837 ( -1.017 0.000 1.329) 1.673 6.971 ( 5.556 0.000 2.400) 6.052 7.007 ( -6.321 0.000 -1.344) 6.462 7.085 ( 7.614 0.000 2.165) 7.916 7.095 ( -4.212 0.000 -2.866) 5.094 7.161 ( 9.277 0.000 3.122) 9.789 7.274 ( -6.746 0.000 2.862) 7.328 7.311 ( 10.731 0.000 -0.996) 10.777 7.379 ( 3.718 0.000 0.326) 3.732 7.457 ( 4.614 0.000 -2.988) 5.497 7.606 ( -5.319 0.000 2.066) 5.706 7.653 ( 5.072 0.000 6.498) 8.243 7.792 ( 6.347 0.000 -4.283) 7.657 7.878 ( -0.176 0.000 1.578) 1.588 7.924 ( -1.811 0.000 -1.592) 2.412 7.961 ( 0.075 0.000 -2.872) 2.873 7.988 ( 11.277 0.000 -0.064) 11.277 8.157 ( 1.522 0.000 5.553) 5.758 8.319 ( 3.768 0.000 2.115) 4.321 8.330 ( -3.395 0.000 2.834) 4.423 8.365 ( -7.368 0.000 2.415) 7.754 8.367 ( 3.122 0.000 -1.547) 3.484 8.470 ( -7.460 0.000 -5.756) 9.422 8.527 ( 7.044 0.000 -0.615) 7.071 8.699 ( -9.569 0.000 -1.102) 9.632 8.746 ( 0.959 0.000 -2.594) 2.766 8.754 ( -1.504 0.000 4.060) 4.330 8.832 ( 1.250 0.000 0.338) 1.295 8.874 ( -8.211 0.000 -1.142) 8.290 8.954 ( 11.493 0.000 -1.243) 11.560 8.993 ( -1.844 0.000 -12.155) 12.295 9.099 ( -0.233 0.000 -2.922) 2.931 9.159 ( 2.795 0.000 -6.204) 6.805 9.208 ( 0.520 0.000 -1.367) 1.462 9.282 ( 5.626 0.000 -0.543) 5.652 9.283 ( 3.301 0.000 -2.464) 4.119 9.375 ( -2.028 0.000 3.244) 3.826 9.499 ( -0.159 0.000 -4.311) 4.314 9.589 ( 3.452 0.000 2.628) 4.339 9.689 ( -1.846 0.000 -2.166) 2.846 9.701 ( 0.343 0.000 6.730) 6.739 9.929 ( 0.216 0.000 4.584) 4.589 10.010 ( 3.176 0.000 -2.251) 3.893 10.049 ( 2.183 0.000 5.750) 6.151 10.062 ( -3.306 0.000 2.855) 4.368 10.203 ( 0.425 0.000 5.573) 5.590 10.372 ( -0.101 0.000 1.273) 1.277 10.475 ( 7.734 0.000 -2.693) 8.190 10.560 ( 1.106 0.000 -2.019) 2.302 10.715 ( -0.637 0.000 11.468) 11.486 10.738 ( 6.460 0.000 -2.869) 7.068 10.915 ( 0.871 0.000 6.481) 6.540 10.973 ( 1.636 0.000 -1.036) 1.937 10.982 ( -7.919 0.000 -2.367) 8.265 11.032 ( -5.478 0.000 -1.618) 5.712 11.147 ( -9.477 0.000 5.980) 11.206 11.180 ( -3.151 0.000 -1.498) 3.489 11.305 ( -4.093 0.000 4.686) 6.222 11.375 ( 0.389 0.000 -7.256) 7.267 11.492 ( 0.838 0.000 -5.360) 5.425 11.654 ( 2.472 0.000 -7.897) 8.274 11.654 ( 0.485 0.000 -4.094) 4.123 11.893 ( -2.143 0.000 -11.025) 11.231 11.901 ( 0.609 0.000 2.819) 2.884 12.072 ( -2.609 0.000 5.434) 6.028 12.256 ( 0.290 0.000 3.816) 3.827 12.293 ( 0.043 0.000 -1.746) 1.746 12.540 ( 3.473 0.000 -9.249) 9.879 12.640 ( 4.179 0.000 6.232) 7.504 12.889 ( 4.026 0.000 -1.632) 4.344 12.925 ( 1.037 0.000 -0.447) 1.129 13.013 ( -7.078 0.000 -9.617) 11.941 13.462 ( 0.957 0.000 -0.458) 1.061 13.465 ( 4.860 0.000 0.307) 4.869 13.672 ( 0.686 0.000 1.600) 1.741 13.778 ( -2.414 0.000 -0.120) 2.417 13.869 ( 3.171 0.000 5.313) 6.188 13.915 ( 0.406 0.000 0.034) 0.407 14.033 ( -6.443 0.000 -1.549) 6.627 14.103 ( -2.051 0.000 -0.694) 2.166 14.217 ( -1.758 0.000 -2.557) 3.103 14.260 ( -0.848 0.000 -4.188) 4.273 14.268 ( 3.298 0.000 -3.797) 5.029 14.349 ( -1.567 0.000 -2.427) 2.889 14.598 ( -2.800 0.000 -0.012) 2.800 14.695 ( 2.165 0.000 1.991) 2.942 14.937 ( -2.209 0.000 2.545) 3.370 15.065 ( -0.818 0.000 0.955) 1.257 17.972 ( -3.477 0.000 1.960) 3.992 17.990 ( 5.119 0.000 5.846) 7.770 17.998 ( 2.380 0.000 2.520) 3.466 18.027 ( -2.535 0.000 0.684) 2.626 18.080 ( 1.387 0.000 3.068) 3.367 18.139 ( -0.441 0.000 -2.141) 2.186 18.214 ( 2.859 0.000 3.463) 4.490 18.216 ( 3.794 0.000 1.436) 4.057 18.253 ( -3.623 0.000 -2.276) 4.278 18.295 ( 1.271 0.000 -1.845) 2.241 18.384 ( -0.955 0.000 -1.404) 1.698 18.406 ( -2.640 0.000 -2.525) 3.653 18.982 ( 0.256 0.000 2.057) 2.073 19.106 ( 0.500 0.000 -2.774) 2.819 19.239 ( 0.467 0.000 -0.265) 0.537 19.245 ( -0.430 0.000 -0.985) 1.075 19.996 ( -1.574 0.000 3.282) 3.640 20.041 ( 0.359 0.000 2.476) 2.502 20.191 ( 1.155 0.000 -4.879) 5.014 20.406 ( 1.613 0.000 -7.762) 7.928 20.605 ( -0.355 0.000 1.188) 1.240 20.681 ( 0.363 0.000 -1.115) 1.172 20.862 ( 0.513 0.000 -0.600) 0.790 20.908 ( 0.392 0.000 -1.284) 1.343 21.409 ( -0.629 0.000 2.367) 2.450 21.528 ( 1.084 0.000 -3.895) 4.043 21.600 ( 1.010 0.000 3.005) 3.170 21.603 ( 1.703 0.000 -0.814) 1.887 21.748 ( -0.093 0.000 -7.080) 7.080 21.773 ( 0.468 0.000 -2.000) 2.054 21.830 ( -0.352 0.000 -3.901) 3.917 21.903 ( 1.157 0.000 -2.875) 3.099 24.751 ( -1.659 0.000 2.805) 3.259 24.817 ( -1.725 0.000 0.156) 1.732 24.883 ( 2.002 0.000 2.976) 3.587 24.898 ( -0.206 0.000 2.003) 2.013 24.904 ( 0.428 0.000 -1.200) 1.274 25.028 ( 1.377 0.000 -0.111) 1.382 25.109 ( -2.682 0.000 -0.341) 2.703 25.146 ( 0.180 0.000 0.734) 0.756 28.776 ( -0.416 0.000 0.623) 0.749 28.822 ( 0.574 0.000 -0.083) 0.581 28.822 ( 0.193 0.000 -0.784) 0.807 28.845 ( 0.087 0.000 -1.316) 1.319 29.096 ( -0.077 0.000 -0.276) 0.287 29.102 ( 0.243 0.000 -0.167) 0.295 29.118 ( 0.326 0.000 -1.255) 1.296 29.149 ( 0.342 0.000 -1.674) 1.709 34.916 ( 1.179 0.000 2.614) 2.868 35.013 ( 1.961 0.000 0.129) 1.966 35.039 ( -4.622 0.000 5.211) 6.965 35.375 ( 2.569 0.000 15.667) 15.876 35.438 ( 13.944 0.000 2.890) 14.240 35.444 ( -4.414 0.000 1.697) 4.729 35.559 ( 9.136 0.000 0.066) 9.136 36.325 ( -17.873 0.000 -20.172) 26.951 38.070 ( -1.249 0.000 2.704) 2.978 38.149 ( 0.404 0.000 2.485) 2.518 38.265 ( -0.292 0.000 2.182) 2.202 38.333 ( -1.882 0.000 3.191) 3.705 38.385 ( -3.080 0.000 -0.803) 3.183 38.517 ( 1.525 0.000 -5.378) 5.590 38.658 ( 1.086 0.000 3.468) 3.634 38.818 ( 2.251 0.000 -5.438) 5.886 39.122 ( -8.201 0.000 -5.932) 10.122 39.155 ( -7.091 0.000 -1.653) 7.281 39.386 ( -2.739 0.000 -5.588) 6.223 39.569 ( -10.400 0.000 -2.497) 10.696 39.674 ( 16.983 0.000 2.590) 17.180 39.854 ( 16.530 0.000 -0.328) 16.533 39.926 ( 24.178 0.000 -2.850) 24.346 40.012 ( 8.997 0.000 6.989) 11.392 40.873 ( -16.551 0.000 4.861) 17.250 41.108 ( -20.680 0.000 -4.248) 21.112 41.321 ( -13.530 0.000 3.330) 13.934 41.472 ( 5.435 0.000 6.891) 8.776 41.663 ( 6.508 0.000 -1.758) 6.742 41.902 ( 3.905 0.000 14.911) 15.414 42.298 ( -10.313 0.000 -16.964) 19.853 42.532 ( 9.378 0.000 -11.673) 14.973 ======================= Grid point 69 (38/57) ======================= q-point: ( 0.00 0.20 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 91 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.264 ( 1.910 23.729 22.900) 33.032 2.770 ( -15.015 4.179 17.969) 23.787 2.948 ( -11.233 -1.449 -1.725) 11.457 3.082 ( -13.452 3.518 -2.766) 14.177 3.300 ( -9.636 -4.286 -9.919) 14.478 3.345 ( -10.734 2.864 -5.200) 12.266 3.552 ( -5.147 -3.633 -7.849) 10.065 3.633 ( -12.508 10.896 1.602) 16.666 3.686 ( -11.038 3.250 6.878) 13.405 3.799 ( 9.251 4.830 11.863) 15.800 3.825 ( 5.176 0.750 5.800) 7.810 3.935 ( 5.078 3.894 6.724) 9.282 4.190 ( 7.216 -12.023 14.240) 19.985 4.303 ( 13.851 1.255 7.015) 15.576 4.405 ( 10.393 4.200 5.580) 12.522 4.658 ( -0.180 -13.337 7.368) 15.238 4.709 ( -3.869 -6.665 2.389) 8.069 4.720 ( 8.527 0.771 8.715) 12.217 4.849 ( 1.352 -4.457 5.341) 7.087 4.904 ( 0.507 -3.732 -1.163) 3.942 5.030 ( -3.850 6.045 2.846) 7.712 5.139 ( 5.193 -1.269 -0.919) 5.424 5.193 ( -0.133 1.374 3.666) 3.917 5.218 ( -4.515 -3.211 6.360) 8.435 5.257 ( -0.034 0.154 5.744) 5.746 5.333 ( -3.467 2.399 7.283) 8.416 5.354 ( 0.213 -2.873 2.753) 3.984 5.422 ( 4.308 -1.654 -0.217) 4.620 5.491 ( -1.660 -2.462 6.456) 7.106 5.631 ( 0.803 3.009 0.065) 3.115 5.689 ( 1.784 -2.285 4.627) 5.460 5.766 ( -4.937 -7.623 1.788) 9.256 5.835 ( -3.247 -2.445 1.852) 4.467 5.876 ( 0.150 -2.869 1.354) 3.176 5.896 ( 0.929 -4.536 6.205) 7.742 5.961 ( -1.399 0.373 8.989) 9.105 6.048 ( -1.702 -2.818 9.881) 10.415 6.149 ( 4.592 -3.486 8.831) 10.546 6.175 ( -0.022 -4.662 7.435) 8.776 6.194 ( -1.230 2.409 3.594) 4.498 6.230 ( -0.335 -5.094 -1.135) 5.229 6.402 ( 1.999 -1.117 0.159) 2.296 6.487 ( -2.263 1.121 6.878) 7.327 6.516 ( 5.159 0.692 0.067) 5.206 6.588 ( -4.058 0.587 2.533) 4.820 6.647 ( 0.657 0.023 2.222) 2.317 6.685 ( -6.737 -2.323 2.959) 7.716 6.722 ( 0.356 -4.573 7.848) 9.090 6.825 ( -5.582 2.843 -0.855) 6.322 6.951 ( -2.676 2.847 6.346) 7.453 6.954 ( -2.499 -0.486 2.013) 3.245 7.062 ( -3.189 3.790 3.970) 6.348 7.130 ( -2.002 -2.326 1.384) 3.366 7.229 ( 1.808 -2.638 2.800) 4.250 7.245 ( 1.674 -0.235 -0.862) 1.897 7.470 ( 0.874 -0.435 2.245) 2.448 7.535 ( 3.005 1.760 0.888) 3.594 7.587 ( -0.929 1.616 1.071) 2.149 7.686 ( 1.172 5.853 3.258) 6.801 7.771 ( 1.238 1.192 1.707) 2.423 7.829 ( 2.114 5.254 -3.093) 6.453 7.863 ( -1.406 5.363 -1.170) 5.666 7.906 ( -2.269 6.340 -4.103) 7.886 8.001 ( 2.433 2.404 1.138) 3.605 8.174 ( 3.267 -1.554 3.051) 4.733 8.197 ( -5.459 -1.315 -4.185) 7.003 8.254 ( -7.426 6.350 -0.072) 9.771 8.306 ( -0.380 0.337 -3.366) 3.404 8.352 ( 2.868 3.222 -0.524) 4.345 8.404 ( -2.336 5.564 0.147) 6.036 8.457 ( 3.724 5.901 1.658) 7.172 8.495 ( -2.743 -1.699 0.256) 3.237 8.603 ( 1.244 -3.749 -3.095) 5.018 8.665 ( -8.257 -0.156 -1.188) 8.344 8.714 ( -1.231 -3.222 0.693) 3.518 8.809 ( 4.900 -3.727 -4.302) 7.511 8.869 ( 0.080 2.653 -6.397) 6.926 8.932 ( 0.723 0.178 -3.691) 3.766 9.035 ( -3.782 -0.978 0.595) 3.952 9.065 ( 1.535 1.216 -3.909) 4.372 9.183 ( 4.706 -2.672 -1.022) 5.507 9.239 ( -2.994 -3.627 0.671) 4.751 9.261 ( -0.034 -0.704 -2.129) 2.243 9.335 ( -0.051 0.687 -0.769) 1.032 9.423 ( 3.584 -2.259 -8.736) 9.709 9.547 ( 8.378 4.743 6.048) 11.370 9.589 ( -2.537 -0.734 0.812) 2.763 9.660 ( -0.863 0.804 -3.249) 3.456 9.777 ( 1.878 -0.419 1.349) 2.349 9.887 ( 0.901 -4.139 -0.381) 4.253 9.943 ( -2.343 -4.100 7.185) 8.598 10.034 ( -2.154 -2.713 -0.502) 3.500 10.181 ( -3.975 0.213 2.984) 4.975 10.207 ( 0.585 8.184 4.436) 9.327 10.397 ( -4.169 4.486 -2.846) 6.752 10.474 ( -7.390 5.288 -1.924) 9.289 10.582 ( 1.983 -3.205 4.321) 5.733 10.717 ( 1.364 -3.484 2.250) 4.366 10.741 ( -3.621 -4.082 0.292) 5.464 10.835 ( -0.135 -2.879 2.819) 4.031 10.889 ( 0.048 -1.306 -0.003) 1.307 10.993 ( -0.866 -2.836 -1.407) 3.282 11.015 ( -0.038 1.217 -0.641) 1.376 11.072 ( -0.576 0.176 1.034) 1.197 11.110 ( 1.630 4.145 -0.801) 4.525 11.272 ( 0.801 -1.381 1.935) 2.509 11.427 ( 2.731 1.573 -7.629) 8.255 11.457 ( 2.395 -6.906 -0.092) 7.310 11.539 ( 1.391 -3.730 -4.390) 5.926 11.651 ( 0.796 0.119 -4.085) 4.163 11.839 ( 3.166 -3.496 -10.514) 11.523 11.942 ( 0.679 1.440 -8.557) 8.704 12.154 ( -1.606 6.450 5.645) 8.721 12.212 ( 0.115 3.334 3.401) 4.764 12.462 ( 1.551 6.411 -2.465) 7.042 12.560 ( 1.840 3.220 -5.374) 6.529 12.710 ( -2.816 -6.239 1.415) 6.990 12.841 ( 4.055 -0.995 1.477) 4.428 12.910 ( -2.122 1.627 -3.284) 4.235 12.979 ( 2.811 -1.788 -4.260) 5.408 13.528 ( 1.010 1.224 2.365) 2.848 13.621 ( 7.593 -1.445 1.837) 7.945 13.664 ( -1.461 0.319 0.571) 1.600 13.711 ( -0.266 1.029 -0.706) 1.275 13.881 ( -3.146 -0.832 -0.851) 3.364 13.931 ( -6.133 -1.115 -0.851) 6.292 13.995 ( 1.440 1.138 2.831) 3.374 14.017 ( 4.252 0.079 2.119) 4.752 14.205 ( -1.082 1.685 -1.715) 2.636 14.278 ( 0.013 -0.338 -2.052) 2.080 14.300 ( 4.101 -0.276 2.535) 4.829 14.346 ( 2.233 -0.980 -1.648) 2.943 14.591 ( 0.776 1.210 1.883) 2.369 14.702 ( 0.593 -1.892 1.973) 2.798 14.926 ( -2.137 2.104 2.493) 3.900 15.022 ( -2.585 -0.726 1.062) 2.887 17.879 ( -4.476 0.106 -0.249) 4.484 17.947 ( -3.246 -1.024 -0.987) 3.544 18.000 ( -2.600 -1.370 -3.316) 4.431 18.015 ( -3.250 -0.513 -3.956) 5.146 18.080 ( -0.852 0.418 1.559) 1.825 18.122 ( 0.262 0.489 0.655) 0.858 18.231 ( 2.828 0.459 1.715) 3.339 18.272 ( 0.299 -0.117 -0.639) 0.715 18.300 ( -0.146 0.885 1.234) 1.526 18.318 ( 2.136 -0.908 3.051) 3.833 18.388 ( -0.806 0.916 0.399) 1.284 18.393 ( 3.205 -0.145 1.949) 3.754 19.018 ( 1.105 0.565 1.865) 2.240 19.092 ( 0.720 -1.532 -1.388) 2.189 19.245 ( 0.329 0.849 -0.925) 1.298 19.259 ( 0.315 0.940 -0.558) 1.137 20.013 ( -0.588 2.783 1.088) 3.046 20.088 ( -0.225 4.249 1.638) 4.560 20.173 ( 0.703 -1.833 -4.829) 5.213 20.385 ( 2.008 -3.076 -6.870) 7.791 20.609 ( -0.370 1.005 0.673) 1.265 20.678 ( 0.282 -0.742 -1.186) 1.428 20.876 ( 0.325 0.521 -0.831) 1.033 20.907 ( 0.203 -0.183 -1.240) 1.270 21.417 ( -0.556 1.209 2.496) 2.829 21.528 ( 1.228 -1.622 -2.334) 3.097 21.629 ( 0.499 0.578 -0.729) 1.055 21.655 ( 1.205 1.517 -0.913) 2.142 21.704 ( -1.279 -0.885 -2.261) 2.744 21.743 ( -1.023 -1.261 -3.631) 3.978 21.800 ( 0.146 1.612 -5.172) 5.420 21.903 ( 0.759 -1.361 -2.309) 2.785 24.738 ( -1.283 0.805 2.399) 2.837 24.796 ( -0.113 -0.712 0.430) 0.840 24.875 ( -1.199 1.004 1.401) 2.100 24.916 ( 0.915 -0.130 -0.300) 0.972 24.952 ( 1.099 0.145 1.843) 2.150 25.016 ( -0.499 -1.662 0.685) 1.865 25.099 ( 0.254 1.266 1.154) 1.731 25.140 ( -0.661 -0.126 0.231) 0.711 28.785 ( 0.671 0.250 0.703) 1.003 28.815 ( 0.233 -0.501 -0.300) 0.629 28.832 ( -0.030 0.222 -0.759) 0.792 28.844 ( 0.347 -0.072 -1.109) 1.164 29.088 ( -0.480 0.133 -0.208) 0.540 29.102 ( 0.003 -0.296 -0.396) 0.494 29.125 ( 0.296 0.528 -1.293) 1.428 29.147 ( 0.305 -0.124 -1.687) 1.719 34.980 ( -1.454 1.441 3.354) 3.929 34.998 ( 0.794 1.758 6.625) 6.900 35.106 ( 5.151 -1.944 1.449) 5.693 35.237 ( -2.404 -6.207 1.503) 6.824 35.471 ( -5.822 4.939 -2.221) 7.952 35.579 ( 1.575 7.130 7.439) 10.424 35.759 ( -15.223 -2.130 -13.486) 20.449 36.120 ( 26.029 -7.378 -5.599) 27.627 38.089 ( 0.782 0.832 2.947) 3.161 38.181 ( -0.839 -0.485 1.271) 1.598 38.257 ( -1.708 1.294 3.358) 3.983 38.297 ( 0.858 0.912 1.360) 1.848 38.342 ( -1.925 0.648 1.378) 2.454 38.487 ( -0.262 -2.503 -3.131) 4.017 38.676 ( -0.972 0.400 1.950) 2.215 38.861 ( 4.700 -2.597 -5.699) 7.830 38.999 ( -2.068 0.155 -1.989) 2.873 39.058 ( -0.961 1.303 -3.925) 4.246 39.355 ( -5.876 -0.343 -3.069) 6.638 39.373 ( 2.964 -0.808 -3.440) 4.612 39.985 ( 3.980 -0.100 4.867) 6.288 40.079 ( -4.176 -2.712 4.531) 6.733 40.211 ( 10.989 2.484 -1.110) 11.321 40.437 ( 16.870 -5.314 -2.608) 17.879 40.658 ( 2.949 3.285 -1.942) 4.823 40.734 ( -2.090 -0.158 -3.253) 3.870 41.161 ( -6.753 3.780 3.619) 8.543 41.454 ( -19.790 -4.404 -2.080) 20.381 41.587 ( -4.195 2.494 6.123) 7.830 41.845 ( -6.964 -6.101 2.079) 9.489 42.110 ( 2.098 9.006 5.136) 10.577 42.725 ( 12.248 -7.617 -10.621) 17.912 ======================= Grid point 70 (39/57) ======================= q-point: ( 0.25 0.20 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.477 ( -5.387 8.471 11.061) 14.937 2.539 ( 2.817 14.727 14.389) 20.781 2.755 ( -8.256 -0.153 10.965) 13.726 2.868 ( -2.627 6.726 8.333) 11.027 2.991 ( -16.054 8.973 6.019) 19.351 3.205 ( 0.750 3.452 -9.904) 10.515 3.335 ( -7.560 -2.758 7.453) 10.969 3.464 ( -2.994 -2.894 -2.976) 5.118 3.642 ( 2.366 3.821 -0.328) 4.506 3.711 ( -3.804 2.065 1.401) 4.549 3.864 ( -5.606 1.520 8.575) 10.357 4.296 ( 2.210 -5.500 5.357) 7.990 4.354 ( -1.851 -11.439 5.940) 13.021 4.428 ( 9.968 -4.822 2.530) 11.359 4.556 ( -2.235 1.188 0.759) 2.643 4.659 ( 2.064 -8.473 1.546) 8.856 4.756 ( 5.295 -5.151 5.908) 9.460 4.812 ( -2.504 4.473 4.700) 6.955 4.900 ( 0.955 0.949 3.956) 4.179 4.977 ( 0.951 1.145 5.778) 5.967 5.001 ( -1.518 3.776 4.294) 5.917 5.091 ( -5.179 3.753 4.257) 7.683 5.137 ( -1.745 -0.620 2.598) 3.190 5.235 ( 2.126 -5.521 0.212) 5.920 5.344 ( 8.741 -2.397 5.174) 10.437 5.358 ( -1.851 -3.122 1.935) 4.113 5.444 ( 0.693 5.412 2.069) 5.836 5.552 ( 4.790 -2.941 -3.349) 6.543 5.599 ( 7.384 -3.596 1.964) 8.444 5.673 ( -3.037 0.312 3.150) 4.387 5.687 ( 7.168 -0.479 4.681) 8.574 5.766 ( 2.511 -0.256 5.606) 6.148 5.806 ( 3.868 -0.206 4.829) 6.190 5.857 ( -4.707 -1.370 6.190) 7.896 5.998 ( -0.674 -4.171 2.293) 4.807 6.024 ( -4.057 -4.623 8.771) 10.713 6.050 ( 3.272 -0.536 11.132) 11.615 6.061 ( -5.355 -1.814 5.263) 7.725 6.135 ( -3.309 -8.605 4.413) 10.221 6.237 ( 1.153 -0.480 9.142) 9.227 6.348 ( -4.958 -0.891 2.323) 5.548 6.377 ( 2.702 1.529 11.071) 11.498 6.487 ( -0.004 3.128 5.248) 6.110 6.524 ( -0.376 -0.798 0.859) 1.231 6.614 ( -4.472 -1.901 4.419) 6.568 6.623 ( -2.382 0.139 6.743) 7.152 6.729 ( 6.529 0.946 3.230) 7.346 6.741 ( -1.861 -5.094 3.692) 6.561 6.762 ( 5.056 1.421 1.228) 5.394 6.910 ( -2.333 -6.757 5.670) 9.124 6.966 ( 3.263 -1.369 2.202) 4.168 7.022 ( -0.698 2.137 0.526) 2.309 7.131 ( -2.879 -2.116 2.115) 4.152 7.196 ( -6.646 0.509 -4.848) 8.242 7.249 ( -3.501 -1.996 3.573) 5.386 7.341 ( -1.243 -4.758 0.378) 4.933 7.506 ( -7.723 0.947 0.008) 7.781 7.604 ( -4.898 2.939 1.723) 5.966 7.680 ( 4.234 2.480 0.161) 4.910 7.725 ( -0.385 6.553 3.685) 7.528 7.748 ( 0.068 8.422 -5.894) 10.280 7.843 ( -5.188 12.983 -2.453) 14.194 7.914 ( -3.200 0.139 -1.223) 3.429 7.954 ( 1.295 3.921 -0.758) 4.198 8.050 ( -10.079 3.967 0.944) 10.873 8.165 ( -1.014 -2.726 0.926) 3.052 8.257 ( 4.092 0.566 1.542) 4.409 8.284 ( -1.368 7.228 0.842) 7.405 8.352 ( 1.636 -1.974 5.491) 6.060 8.415 ( -2.727 -0.534 -2.565) 3.782 8.462 ( -5.124 0.957 1.910) 5.551 8.548 ( -1.420 -0.887 0.262) 1.695 8.625 ( 4.846 -1.954 -2.390) 5.745 8.675 ( 3.500 2.917 0.834) 4.632 8.745 ( 11.182 -1.060 -0.067) 11.232 8.863 ( 0.322 -1.818 -7.839) 8.053 8.886 ( 3.963 -1.122 -4.698) 6.248 8.945 ( 4.443 -1.577 -3.995) 6.180 9.018 ( 2.168 -0.100 0.645) 2.264 9.057 ( 0.433 1.705 -3.779) 4.168 9.181 ( -2.988 -1.301 -2.760) 4.271 9.202 ( -3.923 -0.343 0.397) 3.958 9.212 ( -0.595 -0.922 -3.081) 3.271 9.315 ( -3.392 4.728 0.764) 5.869 9.409 ( -0.599 -3.939 -7.793) 8.753 9.548 ( -5.469 1.660 -6.417) 8.593 9.553 ( -0.665 0.582 -1.188) 1.481 9.722 ( 2.401 1.560 6.365) 6.979 9.746 ( -2.619 -1.224 1.105) 3.095 9.879 ( -3.707 -3.414 1.280) 5.200 9.904 ( -3.069 -4.563 3.537) 6.539 9.963 ( -2.332 -5.550 1.120) 6.123 10.105 ( -0.202 2.866 4.114) 5.018 10.267 ( 1.801 7.861 2.762) 8.525 10.325 ( -2.027 6.903 3.153) 7.855 10.382 ( -0.649 3.598 2.401) 4.374 10.590 ( -1.530 -0.535 -3.232) 3.616 10.689 ( -3.045 -4.573 5.274) 7.616 10.721 ( -0.562 -2.961 1.611) 3.417 10.847 ( 0.005 -1.773 5.213) 5.506 10.887 ( 0.065 1.050 2.817) 3.007 10.998 ( -0.441 -1.548 2.036) 2.595 11.092 ( 6.531 -3.743 -3.549) 8.322 11.104 ( 3.426 1.857 -2.254) 4.502 11.195 ( 5.537 2.288 -1.813) 6.259 11.292 ( 0.572 -6.137 -1.673) 6.386 11.457 ( 3.323 -4.370 -8.301) 9.952 11.506 ( 1.958 1.453 -5.005) 5.567 11.570 ( 2.751 -1.931 -3.768) 5.049 11.634 ( -1.118 -3.975 -2.571) 4.865 11.849 ( 1.995 -0.338 -10.203) 10.402 11.933 ( 2.277 1.870 -7.384) 7.950 12.180 ( 1.002 -0.595 5.427) 5.551 12.225 ( -0.377 6.292 3.034) 6.996 12.446 ( -1.272 3.053 -3.629) 4.910 12.559 ( -1.965 5.601 -4.502) 7.450 12.626 ( -1.732 0.015 3.189) 3.629 12.814 ( -3.288 1.003 -2.479) 4.238 12.962 ( -1.139 -4.038 -6.355) 7.615 13.038 ( 8.207 -3.311 -0.803) 8.886 13.516 ( -1.259 1.138 2.513) 3.032 13.543 ( -5.743 0.888 -0.534) 5.836 13.740 ( -1.004 -0.160 -1.891) 2.147 13.780 ( 0.985 -1.861 -1.387) 2.521 13.847 ( 2.605 0.354 1.608) 3.082 13.873 ( 1.394 0.563 1.650) 2.232 14.037 ( -0.769 1.165 -1.198) 1.839 14.053 ( 2.491 0.722 3.013) 3.975 14.244 ( 3.182 0.111 0.979) 3.331 14.279 ( 0.028 -0.817 -1.970) 2.133 14.369 ( 1.264 -1.099 -2.114) 2.697 14.387 ( 2.359 -0.801 -1.308) 2.813 14.618 ( 0.410 1.868 2.823) 3.410 14.684 ( -2.755 0.226 0.160) 2.769 14.933 ( 1.181 0.895 4.544) 4.779 15.003 ( 0.915 -0.720 1.367) 1.796 17.823 ( -1.061 -0.284 1.992) 2.275 17.878 ( -2.753 -1.972 0.144) 3.389 17.928 ( -0.632 0.405 -1.086) 1.321 17.951 ( -1.109 -0.013 -0.769) 1.349 18.089 ( 0.482 0.349 1.433) 1.552 18.139 ( 0.563 -0.475 0.677) 1.000 18.222 ( -2.153 0.103 -1.079) 2.411 18.247 ( -1.679 0.222 -0.806) 1.876 18.323 ( -0.073 0.658 2.540) 2.625 18.348 ( 0.464 1.642 0.718) 1.851 18.400 ( 0.279 -0.214 2.398) 2.423 18.456 ( 1.949 -1.029 -0.734) 2.323 19.029 ( -0.709 0.605 0.695) 1.163 19.099 ( 0.383 -1.277 -1.572) 2.061 19.247 ( 0.060 0.724 -0.975) 1.216 19.263 ( 0.261 0.880 -0.494) 1.043 20.016 ( 0.456 2.540 1.349) 2.912 20.078 ( -1.302 4.057 1.701) 4.588 20.170 ( 0.982 -1.628 -4.901) 5.257 20.393 ( 1.442 -3.032 -7.219) 7.962 20.608 ( 0.001 1.092 0.764) 1.333 20.677 ( 0.129 -0.772 -1.039) 1.300 20.872 ( -0.225 0.337 -0.936) 1.020 20.903 ( -0.019 -0.306 -1.286) 1.322 21.421 ( -0.187 1.510 2.877) 3.254 21.544 ( 1.054 -1.645 -2.479) 3.157 21.598 ( -1.950 0.348 -2.510) 3.198 21.618 ( -2.403 0.274 -2.454) 3.446 21.707 ( 1.409 -0.790 0.146) 1.622 21.744 ( 1.282 -0.223 0.779) 1.516 21.803 ( 1.708 1.488 -5.936) 6.353 21.904 ( 0.565 -1.060 -3.123) 3.346 24.738 ( 0.493 0.638 2.530) 2.655 24.800 ( -0.267 -1.399 1.043) 1.765 24.859 ( -0.233 1.865 0.685) 2.000 24.938 ( 0.469 -0.494 0.132) 0.694 24.961 ( -0.766 0.443 1.772) 1.981 24.991 ( -1.562 -0.515 -0.098) 1.648 25.127 ( 0.234 -0.022 0.438) 0.497 25.131 ( 0.846 0.029 1.300) 1.551 28.801 ( 0.515 0.122 0.088) 0.537 28.816 ( -0.117 -0.222 -0.481) 0.542 28.824 ( -0.248 0.358 -0.782) 0.895 28.848 ( 0.367 -0.160 -1.040) 1.114 29.080 ( -0.114 0.187 0.036) 0.222 29.100 ( -0.013 -0.432 -0.190) 0.472 29.125 ( 0.183 0.496 -1.250) 1.357 29.146 ( 0.315 -0.149 -1.709) 1.744 34.943 ( -2.026 2.010 2.211) 3.610 35.092 ( 3.412 0.854 11.485) 12.011 35.165 ( -1.705 -3.249 2.582) 4.487 35.233 ( 1.491 -5.091 2.842) 6.018 35.261 ( -9.034 0.677 -1.907) 9.258 35.352 ( -15.433 -0.922 -8.614) 17.699 35.715 ( 5.312 13.959 3.024) 15.238 36.566 ( 17.070 -10.076 -19.143) 27.556 38.135 ( 0.589 -0.081 2.199) 2.278 38.155 ( -0.190 -1.412 2.391) 2.783 38.233 ( -1.977 2.515 2.807) 4.256 38.302 ( -0.617 0.813 1.426) 1.753 38.365 ( 2.319 0.238 2.332) 3.297 38.467 ( -0.024 -2.488 -2.965) 3.871 38.663 ( -0.448 1.484 1.491) 2.151 38.879 ( -2.938 -3.351 -2.396) 5.060 39.039 ( 9.338 1.240 -3.540) 10.063 39.119 ( 7.815 1.665 -2.780) 8.460 39.310 ( 2.731 0.531 -2.795) 3.944 39.480 ( 6.975 -2.880 -0.345) 7.554 39.796 ( -16.467 -1.759 -1.056) 16.594 39.855 ( -15.717 -2.733 -0.018) 15.953 40.034 ( -17.940 5.516 -4.211) 19.236 40.411 ( -14.551 -7.220 -4.540) 16.866 40.886 ( 15.979 7.596 0.213) 17.694 41.131 ( 10.329 -0.725 0.150) 10.355 41.217 ( 8.181 -0.625 10.916) 13.656 41.319 ( 26.056 -3.044 -2.051) 26.314 41.522 ( -5.983 1.830 7.556) 9.810 41.719 ( -8.699 -4.814 2.759) 10.318 42.090 ( -5.791 10.719 2.806) 12.502 42.829 ( 2.532 -9.505 -14.122) 17.210 ======================= Grid point 71 (40/57) ======================= q-point: (-0.50 0.20 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 91 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.346 ( -0.100 8.822 19.268) 21.192 2.518 ( -17.456 19.804 15.709) 30.720 2.912 ( 13.857 4.713 16.337) 21.935 3.002 ( 12.781 0.850 16.949) 21.246 3.092 ( 16.614 12.103 21.246) 29.562 3.307 ( 3.769 -3.341 3.165) 5.949 3.350 ( 7.921 0.015 1.727) 8.107 3.449 ( 2.592 -3.317 2.514) 4.903 3.687 ( 2.543 -2.743 -0.990) 3.869 3.761 ( 4.043 2.925 -2.827) 5.735 3.822 ( 3.901 6.241 0.480) 7.376 4.123 ( -13.638 -15.517 7.584) 22.007 4.231 ( -11.036 7.007 -5.641) 14.237 4.406 ( -6.034 -11.161 8.033) 15.017 4.509 ( -20.643 1.865 4.873) 21.292 4.651 ( -8.745 1.700 6.827) 11.224 4.690 ( -1.143 -1.378 -0.784) 1.955 4.817 ( -1.946 -2.267 6.511) 7.164 4.862 ( -8.453 -0.298 8.286) 11.840 4.909 ( -3.593 -4.063 1.199) 5.555 4.999 ( -0.488 -0.626 0.832) 1.149 5.064 ( -1.086 4.110 3.754) 5.671 5.164 ( 2.709 -1.832 8.612) 9.212 5.272 ( 2.139 -3.705 6.337) 7.645 5.386 ( 3.337 -1.702 -3.124) 4.878 5.442 ( 1.106 -5.770 2.807) 6.511 5.445 ( -1.757 -1.896 -2.885) 3.873 5.561 ( -2.463 -2.809 10.654) 11.290 5.615 ( -4.997 -2.816 -0.729) 5.782 5.681 ( -2.059 1.675 4.408) 5.146 5.714 ( -6.316 0.787 -1.280) 6.492 5.744 ( -5.413 2.285 4.827) 7.604 5.875 ( 1.170 -4.015 3.891) 5.712 5.934 ( -5.375 -5.917 5.368) 9.629 5.975 ( 4.708 -0.903 1.790) 5.117 6.026 ( 6.918 0.491 4.824) 8.448 6.080 ( 2.656 -5.689 4.579) 7.771 6.096 ( 2.976 -1.999 7.875) 8.653 6.174 ( -7.706 0.235 2.678) 8.162 6.270 ( 0.713 -4.065 8.441) 9.396 6.278 ( -1.158 -0.172 2.945) 3.169 6.416 ( -5.558 0.175 2.659) 6.164 6.450 ( 4.296 4.369 2.647) 6.674 6.554 ( -5.307 -4.262 -1.203) 6.912 6.595 ( 3.518 -4.333 8.331) 10.028 6.632 ( 1.016 0.337 -4.032) 4.171 6.715 ( 0.044 0.031 6.918) 6.918 6.795 ( 1.904 0.512 0.033) 1.972 6.865 ( 0.591 -2.468 1.988) 3.223 6.908 ( -1.873 0.303 1.171) 2.230 6.984 ( 3.517 -0.911 -0.912) 3.746 7.028 ( -5.287 0.455 -4.450) 6.925 7.092 ( 4.590 -1.437 2.756) 5.544 7.125 ( -2.107 2.564 2.415) 4.104 7.213 ( 3.631 0.152 2.595) 4.465 7.334 ( -5.726 -0.416 -1.221) 5.870 7.381 ( -1.463 -3.935 -0.856) 4.284 7.584 ( -5.425 0.709 0.375) 5.484 7.655 ( 3.638 11.712 -1.065) 12.310 7.701 ( -1.462 2.570 -1.583) 3.354 7.773 ( 0.340 9.596 -0.680) 9.626 7.817 ( -0.761 3.641 2.936) 4.739 7.901 ( -2.618 1.486 0.552) 3.060 7.927 ( 7.380 2.075 1.187) 7.758 7.958 ( 1.341 2.979 -0.525) 3.309 8.178 ( 1.962 -1.464 -2.490) 3.492 8.216 ( -2.115 1.814 -0.059) 2.787 8.310 ( 1.201 6.381 4.777) 8.061 8.388 ( -1.518 0.225 2.929) 3.307 8.428 ( 1.179 -2.099 4.487) 5.092 8.464 ( 4.916 -3.276 1.137) 6.016 8.532 ( -0.851 -3.843 -2.527) 4.678 8.662 ( 3.052 2.644 3.395) 5.275 8.755 ( 0.611 3.588 -5.326) 6.450 8.798 ( 1.995 2.516 1.302) 3.465 8.856 ( -1.798 -1.466 -2.223) 3.213 8.951 ( -0.271 2.572 -3.746) 4.552 9.006 ( -1.972 1.636 -2.172) 3.359 9.070 ( -3.949 -1.211 -4.735) 6.283 9.079 ( 3.535 -2.598 -6.810) 8.101 9.103 ( 3.452 2.259 -1.845) 4.520 9.138 ( 0.653 -2.446 -0.701) 2.627 9.223 ( 2.669 -0.112 -4.812) 5.504 9.266 ( 1.518 1.836 -2.341) 3.340 9.394 ( -0.021 -1.756 1.104) 2.074 9.449 ( -1.936 -0.502 1.372) 2.426 9.531 ( -0.578 -0.760 -1.113) 1.467 9.661 ( -1.986 -2.790 2.759) 4.398 9.746 ( -2.917 -1.033 0.297) 3.109 9.837 ( -0.775 -7.472 2.452) 7.902 9.919 ( 2.497 -1.108 1.788) 3.265 9.975 ( 1.920 -0.536 4.214) 4.661 10.150 ( 1.555 1.601 5.217) 5.675 10.238 ( -2.873 7.162 3.053) 8.299 10.383 ( -0.224 0.030 0.838) 0.868 10.402 ( 4.271 8.024 2.748) 9.496 10.547 ( 0.223 0.717 -4.021) 4.090 10.648 ( -2.091 -1.062 4.775) 5.320 10.731 ( 0.709 -1.316 0.979) 1.787 10.888 ( 1.220 -2.037 4.877) 5.425 10.914 ( 0.713 2.624 7.189) 7.686 11.013 ( 0.193 -7.289 0.947) 7.353 11.079 ( -2.404 -2.967 -7.114) 8.074 11.195 ( 1.564 1.725 -0.678) 2.426 11.260 ( -0.930 -4.448 0.417) 4.563 11.295 ( 1.164 -0.796 1.280) 1.904 11.441 ( -1.271 0.322 -5.572) 5.724 11.526 ( -0.490 0.688 -4.709) 4.784 11.576 ( 1.950 -3.756 -3.074) 5.231 11.614 ( 0.174 -1.892 -4.893) 5.249 11.841 ( 0.058 -2.259 -3.481) 4.150 11.952 ( 2.207 -2.253 -8.538) 9.102 12.198 ( -1.209 0.080 4.554) 4.712 12.242 ( 0.225 10.398 3.960) 11.129 12.406 ( -1.057 5.200 -1.992) 5.668 12.500 ( -0.725 -1.236 0.117) 1.438 12.649 ( 1.502 8.079 -1.821) 8.417 12.787 ( 2.297 -2.414 -1.791) 3.783 12.900 ( -1.384 -3.961 -3.894) 5.724 13.110 ( -0.569 -4.894 -7.432) 8.917 13.457 ( -1.863 1.549 -1.324) 2.761 13.507 ( -1.160 0.680 -1.792) 2.241 13.666 ( -2.511 1.357 0.725) 2.945 13.773 ( -0.461 -1.444 1.391) 2.058 13.868 ( -1.388 0.256 0.157) 1.420 13.898 ( 0.489 -0.630 0.676) 1.045 14.067 ( 3.347 1.134 0.819) 3.628 14.130 ( 1.196 0.007 0.806) 1.442 14.237 ( -1.208 -0.175 -4.484) 4.647 14.273 ( 0.043 -0.332 -3.089) 3.107 14.345 ( -3.381 0.813 -4.819) 5.943 14.381 ( -0.625 -0.811 -3.991) 4.120 14.619 ( 0.038 -0.882 1.740) 1.951 14.654 ( -0.973 -0.225 0.825) 1.296 14.972 ( 0.345 1.746 3.645) 4.056 15.047 ( 1.706 -0.236 1.266) 2.137 17.853 ( 3.073 -0.568 5.220) 6.083 17.907 ( 3.527 -2.097 5.988) 7.259 17.948 ( 2.532 1.255 2.614) 3.850 17.990 ( 3.229 0.418 4.058) 5.203 18.096 ( -1.102 0.011 0.836) 1.383 18.127 ( -1.939 -0.287 0.498) 2.023 18.180 ( -0.692 0.419 0.665) 1.047 18.231 ( -0.343 -0.930 -0.046) 0.992 18.284 ( -1.835 0.616 -1.548) 2.479 18.341 ( -2.819 0.368 -0.530) 2.892 18.406 ( 0.430 0.886 -1.257) 1.597 18.462 ( -0.539 -0.154 -2.547) 2.608 19.003 ( -1.610 0.824 0.477) 1.870 19.094 ( -0.006 -1.574 -1.978) 2.527 19.242 ( 0.116 0.782 -1.293) 1.515 19.263 ( 0.027 0.631 -0.987) 1.172 20.039 ( 0.979 1.921 0.928) 2.347 20.056 ( -1.376 4.380 2.330) 5.148 20.173 ( 1.186 -1.344 -4.491) 4.836 20.384 ( 0.900 -3.159 -7.394) 8.090 20.614 ( 0.074 1.129 0.868) 1.426 20.676 ( 0.143 -0.565 -0.837) 1.020 20.864 ( -0.011 0.393 -0.877) 0.961 20.900 ( 0.343 -0.482 -1.260) 1.392 21.428 ( -0.428 1.853 2.161) 2.879 21.534 ( -0.510 -0.368 -3.048) 3.112 21.580 ( 0.924 -0.068 -1.232) 1.542 21.585 ( -0.229 -0.099 0.805) 0.843 21.737 ( 1.621 -1.175 -1.908) 2.766 21.765 ( 0.527 -1.502 -1.906) 2.483 21.819 ( 2.167 1.791 -3.791) 4.720 21.901 ( 0.593 -0.619 -4.420) 4.503 24.769 ( 0.208 0.454 2.626) 2.673 24.803 ( 1.253 -0.519 2.296) 2.667 24.858 ( -0.948 0.753 0.644) 1.371 24.907 ( -2.008 -0.592 -0.507) 2.154 24.945 ( -1.239 1.147 1.432) 2.214 24.994 ( 1.213 -0.289 -0.158) 1.257 25.131 ( 0.598 -0.011 0.107) 0.608 25.146 ( -0.577 -0.348 0.555) 0.873 28.795 ( -1.199 0.060 -0.121) 1.206 28.808 ( 0.076 -0.289 -0.156) 0.337 28.826 ( 0.513 0.572 -0.869) 1.160 28.848 ( 0.137 -0.091 -1.223) 1.234 29.087 ( 0.624 0.087 0.072) 0.634 29.100 ( 0.031 -0.362 -0.160) 0.397 29.123 ( 0.194 0.489 -1.200) 1.310 29.146 ( 0.378 -0.207 -1.648) 1.703 34.924 ( -0.513 2.351 1.416) 2.793 35.072 ( -6.451 0.458 -3.008) 7.132 35.112 ( -5.278 -0.737 3.311) 6.274 35.180 ( 1.600 -0.368 8.250) 8.412 35.227 ( 3.769 -0.355 16.413) 16.844 35.286 ( 1.181 -9.681 1.653) 9.892 35.783 ( 1.070 16.533 -4.139) 17.076 36.602 ( -4.257 -8.190 -22.284) 24.120 38.111 ( -1.908 1.142 2.309) 3.206 38.168 ( -1.050 1.761 2.152) 2.973 38.250 ( 1.451 -0.189 2.805) 3.164 38.311 ( 0.716 -0.664 3.166) 3.313 38.387 ( -0.911 -2.838 0.936) 3.124 38.470 ( 1.761 -2.769 -4.492) 5.563 38.676 ( 0.454 3.548 1.552) 3.899 38.816 ( -1.264 -0.967 -2.299) 2.796 39.241 ( 4.477 0.500 -1.182) 4.657 39.298 ( 7.161 1.143 -3.411) 8.014 39.411 ( -7.792 -0.804 -1.503) 7.976 39.449 ( 10.900 -2.007 -3.129) 11.516 39.573 ( -2.474 -0.402 -2.505) 3.544 39.679 ( -9.759 3.415 -4.086) 11.118 39.751 ( 7.145 -2.219 2.498) 7.888 39.996 ( -18.869 -4.145 -2.623) 19.496 41.098 ( -1.485 3.587 6.847) 7.871 41.339 ( 0.771 -1.875 7.081) 7.365 41.386 ( -3.106 -0.474 3.986) 5.076 41.468 ( 8.061 0.428 1.518) 8.214 41.567 ( -0.990 3.783 5.210) 6.514 41.899 ( 11.612 1.013 -1.492) 11.751 41.945 ( 7.554 2.764 -3.713) 8.859 42.693 ( -9.738 -11.037 -17.239) 22.668 ======================= Grid point 72 (41/57) ======================= q-point: (-0.25 0.20 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.265 ( -10.597 24.025 19.847) 32.915 2.690 ( 14.499 10.748 30.377) 35.334 3.150 ( -4.902 -1.405 -1.460) 5.304 3.205 ( 4.444 2.750 10.987) 12.167 3.341 ( 0.397 -5.907 -3.343) 6.799 3.515 ( 8.307 1.628 9.889) 13.017 3.569 ( 9.236 0.602 5.983) 11.021 3.628 ( 4.454 1.161 5.560) 7.218 3.703 ( -3.861 -0.944 0.650) 4.027 3.780 ( 2.404 0.705 3.416) 4.236 3.845 ( -9.123 8.611 4.400) 13.294 3.960 ( -4.615 6.271 -2.571) 8.199 4.037 ( -2.818 -10.856 14.889) 18.641 4.159 ( 2.226 6.530 4.202) 8.078 4.199 ( -12.038 2.561 7.380) 14.350 4.550 ( -0.808 1.033 9.294) 9.386 4.697 ( -1.720 -9.597 2.220) 10.000 4.746 ( 0.225 -3.021 6.617) 7.278 4.816 ( -4.557 -10.282 4.668) 12.177 4.908 ( 1.808 -1.660 3.617) 4.372 5.023 ( 3.034 -5.736 0.937) 6.556 5.067 ( -0.206 5.372 3.924) 6.656 5.217 ( -2.566 0.433 4.602) 5.287 5.269 ( -5.342 -4.880 2.967) 7.820 5.342 ( -6.306 0.553 0.997) 6.408 5.376 ( -4.956 -4.024 1.657) 6.596 5.428 ( -5.399 -5.621 3.701) 8.628 5.451 ( -5.316 -3.320 4.135) 7.509 5.485 ( -0.644 -2.749 3.071) 4.172 5.605 ( -2.467 -0.625 9.449) 9.786 5.708 ( -0.141 0.358 -6.424) 6.436 5.777 ( 3.794 2.458 7.434) 8.701 5.837 ( -0.004 -0.350 2.074) 2.103 5.901 ( -4.851 -8.816 8.932) 13.455 5.948 ( -4.898 0.491 -1.942) 5.292 6.038 ( -5.291 0.128 10.049) 11.358 6.068 ( -8.294 -5.838 -2.587) 10.467 6.126 ( -2.126 -3.796 2.071) 4.819 6.184 ( 2.961 -3.688 3.987) 6.186 6.207 ( 0.401 -3.081 4.194) 5.220 6.279 ( -8.485 2.284 -3.190) 9.348 6.368 ( 2.673 2.375 7.458) 8.271 6.441 ( -6.946 2.614 -4.099) 8.479 6.482 ( 6.398 -3.036 5.356) 8.879 6.599 ( -3.336 -0.949 2.280) 4.151 6.623 ( -1.645 0.314 1.322) 2.134 6.765 ( -3.723 -3.927 0.053) 5.412 6.787 ( -0.442 -1.360 6.242) 6.404 6.903 ( 2.431 4.495 4.099) 6.551 6.974 ( -5.852 -1.383 -0.704) 6.055 7.009 ( 3.552 3.853 3.088) 6.083 7.041 ( 2.353 -2.580 -1.060) 3.650 7.116 ( 4.457 0.025 1.952) 4.865 7.146 ( 5.226 0.508 -1.041) 5.353 7.228 ( -0.883 0.422 1.291) 1.620 7.362 ( 4.142 3.962 -0.137) 5.733 7.438 ( 6.149 0.147 4.053) 7.366 7.509 ( 3.246 2.296 -2.974) 4.965 7.631 ( 1.141 1.598 0.945) 2.179 7.708 ( -2.113 5.656 1.513) 6.225 7.808 ( 2.531 3.293 -0.015) 4.153 7.856 ( 1.397 1.820 0.148) 2.298 7.925 ( -0.006 -1.838 -2.108) 2.797 8.009 ( 4.265 6.845 -2.956) 8.590 8.061 ( 5.544 4.709 -1.248) 7.380 8.183 ( 1.056 -0.508 2.999) 3.220 8.275 ( 1.137 -0.465 2.306) 2.613 8.327 ( -1.276 3.054 3.164) 4.578 8.420 ( 1.332 3.709 -2.276) 4.551 8.451 ( -2.157 2.685 -1.108) 3.617 8.480 ( 3.381 -1.447 2.171) 4.270 8.507 ( 0.554 3.120 -2.680) 4.150 8.675 ( -6.261 0.526 -1.272) 6.411 8.728 ( -6.691 -0.844 1.298) 6.868 8.804 ( -0.473 1.369 0.306) 1.480 8.819 ( -1.350 -1.304 -1.951) 2.707 8.910 ( -3.329 1.545 -5.605) 6.700 8.947 ( 0.467 1.983 -0.080) 2.039 9.006 ( 3.486 0.948 -6.676) 7.591 9.074 ( 2.897 -4.015 -4.470) 6.670 9.117 ( -2.013 -2.960 -4.325) 5.614 9.204 ( 5.120 0.482 -2.468) 5.704 9.264 ( 2.298 -2.157 -1.700) 3.581 9.344 ( 3.651 4.739 1.979) 6.301 9.370 ( -1.282 -0.542 2.512) 2.871 9.445 ( -0.159 -4.774 -3.691) 6.036 9.582 ( 3.952 -0.848 4.860) 6.321 9.637 ( -0.396 -4.784 -1.757) 5.112 9.727 ( 0.548 1.449 4.125) 4.406 9.861 ( 1.754 -5.859 0.808) 6.169 9.952 ( -0.155 -1.411 2.204) 2.621 10.039 ( 1.623 -1.208 2.966) 3.590 10.191 ( -1.052 1.829 3.119) 3.766 10.202 ( -0.519 7.715 3.835) 8.631 10.418 ( 4.884 -3.615 -2.901) 6.733 10.459 ( 0.486 6.345 4.195) 7.621 10.582 ( 2.550 2.418 -3.344) 4.851 10.658 ( 0.851 -1.074 5.534) 5.702 10.760 ( 1.973 -2.402 -0.545) 3.156 10.897 ( -3.105 -4.113 2.159) 5.587 10.940 ( -3.793 -3.984 0.211) 5.505 10.992 ( -0.137 0.489 -2.141) 2.200 11.018 ( 0.678 -0.847 4.861) 4.980 11.145 ( -5.322 2.397 0.237) 5.842 11.179 ( -6.283 -2.118 -1.736) 6.854 11.289 ( -3.339 -0.492 5.064) 6.086 11.411 ( 0.983 2.672 -5.339) 6.051 11.463 ( -2.557 -4.885 -1.194) 5.642 11.563 ( -1.663 -3.906 -4.363) 6.087 11.632 ( 2.903 1.298 -4.825) 5.779 11.827 ( 0.574 -4.921 -4.132) 6.452 11.954 ( 1.662 -2.521 -8.966) 9.461 12.188 ( -1.945 8.415 4.760) 9.862 12.220 ( -3.163 5.875 3.502) 7.535 12.418 ( 2.672 7.970 -1.195) 8.491 12.525 ( 2.842 -2.192 -2.187) 4.202 12.679 ( 2.390 3.283 -1.009) 4.185 12.853 ( 0.955 -4.249 -1.147) 4.504 12.883 ( 2.303 -2.833 -1.741) 4.045 13.009 ( -3.298 -0.974 -7.881) 8.599 13.474 ( 3.901 0.895 0.177) 4.007 13.477 ( 1.210 1.308 -0.766) 1.939 13.671 ( 0.251 0.159 1.773) 1.798 13.770 ( -1.367 -1.214 0.116) 1.832 13.863 ( 1.743 -0.080 3.783) 4.166 13.912 ( 1.198 -0.508 1.158) 1.741 14.045 ( -6.188 1.189 -1.557) 6.490 14.100 ( -3.005 -0.355 -1.065) 3.208 14.223 ( -0.381 0.645 -2.113) 2.242 14.268 ( -1.118 0.804 -4.271) 4.487 14.268 ( 2.684 -0.009 -3.820) 4.669 14.336 ( -1.472 -1.322 -2.144) 2.917 14.600 ( -2.173 0.197 0.258) 2.197 14.669 ( 1.670 -2.314 2.128) 3.560 14.966 ( -2.011 2.598 2.195) 3.951 15.060 ( -1.014 -0.524 1.139) 1.613 17.959 ( 1.566 -1.134 3.973) 4.418 17.968 ( 0.148 -0.944 2.576) 2.747 18.023 ( -1.477 0.895 -0.424) 1.778 18.036 ( 0.125 1.030 3.270) 3.430 18.074 ( 2.695 -0.223 3.713) 4.594 18.133 ( 0.989 -0.669 0.025) 1.195 18.194 ( 0.626 -0.921 0.850) 1.400 18.216 ( 0.431 -0.985 1.407) 1.771 18.257 ( -0.518 0.676 -0.394) 0.939 18.297 ( 1.390 -0.067 -0.712) 1.563 18.387 ( -1.647 0.933 -2.158) 2.870 18.425 ( -1.697 1.138 -2.475) 3.210 18.990 ( 0.232 0.826 1.773) 1.969 19.088 ( 0.291 -1.835 -1.856) 2.626 19.243 ( 0.401 0.711 -1.218) 1.466 19.258 ( 0.027 0.848 -1.071) 1.367 20.028 ( -1.241 2.848 0.964) 3.252 20.073 ( 0.857 3.807 1.959) 4.366 20.177 ( 0.932 -1.461 -4.400) 4.729 20.377 ( 1.476 -3.213 -7.050) 7.887 20.615 ( -0.333 1.032 0.769) 1.329 20.677 ( 0.278 -0.547 -1.007) 1.179 20.868 ( 0.606 0.607 -0.757) 1.144 20.904 ( 0.497 -0.357 -1.228) 1.372 21.422 ( -0.737 1.448 1.801) 2.425 21.520 ( 0.386 -0.915 -2.435) 2.630 21.603 ( 1.386 0.521 0.362) 1.525 21.613 ( 2.124 0.802 1.001) 2.481 21.744 ( -0.216 -0.522 -6.051) 6.078 21.756 ( 0.598 -1.499 -2.618) 3.076 21.838 ( 0.001 0.737 -4.026) 4.093 21.894 ( 0.855 -0.905 -3.548) 3.760 24.759 ( -1.589 0.878 2.630) 3.196 24.813 ( -1.665 -0.409 0.436) 1.769 24.880 ( 1.311 -0.247 1.923) 2.340 24.888 ( 1.340 -0.511 1.350) 1.970 24.926 ( -0.687 1.649 0.261) 1.805 25.016 ( 0.592 -1.166 0.097) 1.311 25.116 ( -1.784 0.641 -0.325) 1.924 25.144 ( 0.206 -0.194 0.613) 0.675 28.778 ( -0.372 0.232 0.608) 0.749 28.810 ( 0.224 -0.694 -0.013) 0.729 28.832 ( 0.344 0.508 -0.887) 1.079 28.845 ( 0.101 -0.015 -1.308) 1.312 29.096 ( -0.036 0.022 -0.275) 0.279 29.100 ( 0.267 -0.171 -0.259) 0.410 29.124 ( 0.344 0.512 -1.234) 1.380 29.147 ( 0.363 -0.192 -1.627) 1.678 34.937 ( 1.135 2.333 2.422) 3.549 35.020 ( 1.563 0.684 0.631) 1.819 35.041 ( -3.834 0.084 4.751) 6.106 35.271 ( -0.492 -9.469 -0.371) 9.489 35.378 ( 4.259 0.233 16.666) 17.204 35.459 ( 19.006 -1.659 9.892) 21.490 35.722 ( -4.035 12.396 -6.399) 14.522 36.279 ( -16.819 -5.036 -18.959) 25.839 38.086 ( -1.336 1.773 2.572) 3.398 38.169 ( 0.340 1.952 2.299) 3.035 38.275 ( 0.394 0.913 1.888) 2.134 38.304 ( -2.984 -2.648 2.878) 4.919 38.374 ( -0.901 -1.166 1.071) 1.822 38.489 ( 1.641 -2.809 -4.636) 5.664 38.680 ( -0.454 2.144 2.005) 2.970 38.815 ( 2.052 -0.761 -4.214) 4.749 39.099 ( -7.303 -1.081 -4.063) 8.427 39.166 ( -7.618 -0.137 -3.732) 8.484 39.400 ( -3.470 1.787 -4.863) 6.235 39.555 ( -10.377 -1.634 -2.287) 10.751 39.698 ( 16.574 2.594 2.116) 16.908 39.852 ( 17.865 0.020 0.277) 17.867 39.900 ( 22.185 -2.673 -2.423) 22.477 39.986 ( 9.934 -2.723 6.406) 12.130 40.883 ( -16.409 1.329 3.782) 16.891 41.066 ( -18.687 -3.672 -1.574) 19.109 41.415 ( -14.359 8.164 2.351) 16.683 41.491 ( 3.923 2.403 6.427) 7.904 41.655 ( 4.152 -0.456 1.166) 4.337 41.956 ( 6.309 5.813 8.693) 12.213 42.207 ( -12.426 -9.516 -14.688) 21.464 42.464 ( 11.732 -6.974 -9.585) 16.678 ======================= Grid point 73 (42/57) ======================= q-point: ( 0.00 0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 91 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.728 ( -2.915 22.969 15.229) 27.713 2.840 ( -10.359 2.984 4.655) 11.742 2.911 ( -9.110 -1.328 -6.792) 11.440 3.108 ( -11.424 -15.065 5.777) 19.769 3.242 ( -10.389 11.990 4.101) 16.386 3.419 ( -2.719 -6.588 -3.425) 7.907 3.458 ( -9.791 8.153 -3.226) 13.143 3.687 ( -7.521 -10.468 5.813) 14.140 3.852 ( -9.455 8.556 6.443) 14.287 3.909 ( -3.370 10.906 -0.244) 11.418 3.958 ( -0.006 4.900 7.691) 9.119 3.984 ( 3.742 -2.118 7.571) 8.707 4.069 ( 8.187 12.105 11.513) 18.603 4.262 ( -2.631 -4.799 3.512) 6.503 4.365 ( 2.099 -16.314 2.342) 16.614 4.403 ( 2.129 -15.114 6.163) 16.461 4.582 ( 13.238 5.888 8.716) 16.908 4.739 ( 6.725 -0.939 8.447) 10.838 4.786 ( 9.254 -3.905 1.892) 10.221 4.850 ( 3.016 -1.854 3.482) 4.966 5.018 ( 5.614 -1.587 1.739) 6.087 5.106 ( 4.136 -7.864 0.522) 8.901 5.202 ( -0.445 3.801 1.828) 4.241 5.220 ( -1.893 0.497 7.229) 7.489 5.242 ( -0.539 0.844 7.358) 7.426 5.262 ( -5.504 -2.633 12.524) 13.931 5.415 ( 5.857 3.669 -0.005) 6.911 5.438 ( -3.027 6.842 3.079) 8.090 5.503 ( 3.232 -2.831 3.138) 5.320 5.590 ( 2.818 -6.796 0.992) 7.424 5.692 ( -0.795 2.257 2.554) 3.500 5.729 ( -5.015 3.070 4.230) 7.244 5.770 ( -3.362 0.387 4.491) 5.623 5.807 ( -2.387 -6.532 1.374) 7.089 5.845 ( 2.372 -2.224 1.279) 3.494 5.896 ( -1.919 -7.792 7.696) 11.119 6.029 ( 0.648 2.633 11.577) 11.891 6.075 ( -2.828 0.539 4.129) 5.033 6.099 ( 2.381 -2.865 11.848) 12.419 6.152 ( -1.809 -4.691 1.007) 5.128 6.284 ( -5.148 4.664 2.081) 7.251 6.352 ( -2.839 -3.162 0.311) 4.261 6.521 ( 2.396 1.741 9.132) 9.600 6.535 ( 3.835 0.703 3.993) 5.581 6.586 ( 0.474 -0.822 0.414) 1.035 6.597 ( 0.506 -3.064 1.549) 3.471 6.668 ( -3.949 0.573 6.007) 7.211 6.680 ( -3.158 -0.645 6.048) 6.853 6.880 ( -0.352 2.885 -0.863) 3.032 6.921 ( -2.954 -1.753 3.023) 4.576 6.995 ( -7.629 1.305 4.754) 9.084 7.048 ( -5.230 -4.547 4.975) 8.532 7.158 ( -0.119 2.843 -3.820) 4.763 7.199 ( 0.606 -1.884 -3.230) 3.788 7.294 ( -3.628 7.204 2.221) 8.366 7.417 ( -5.114 -5.149 2.298) 7.612 7.574 ( 5.212 2.333 4.421) 7.222 7.612 ( 5.959 -0.993 2.740) 6.634 7.743 ( -4.047 4.285 5.559) 8.103 7.809 ( -3.891 0.728 2.449) 4.655 7.869 ( 9.349 0.778 -1.304) 9.471 7.927 ( 7.951 -2.044 -0.395) 8.219 8.045 ( -3.157 7.072 -1.750) 7.940 8.080 ( 0.489 5.116 -2.131) 5.564 8.150 ( 3.091 -0.637 3.082) 4.411 8.250 ( -2.824 -6.601 -1.197) 7.279 8.271 ( -4.542 8.924 -6.474) 11.924 8.326 ( -1.359 3.947 -3.800) 5.645 8.396 ( 0.898 -1.532 -1.294) 2.197 8.463 ( 1.245 -4.074 -5.774) 7.176 8.500 ( -6.149 3.946 1.165) 7.399 8.544 ( -0.413 5.971 -0.330) 5.995 8.608 ( -4.550 -5.139 -0.124) 6.865 8.655 ( -0.584 2.443 0.277) 2.526 8.703 ( 0.222 -0.072 -2.757) 2.767 8.734 ( -3.558 2.404 -1.760) 4.641 8.909 ( -1.686 1.759 -4.930) 5.499 8.937 ( 1.214 0.012 -2.391) 2.682 9.013 ( -0.284 -1.529 -2.011) 2.542 9.050 ( -1.959 -4.499 -2.545) 5.528 9.129 ( 3.296 -2.426 -2.814) 4.967 9.142 ( 1.611 -2.508 0.935) 3.124 9.260 ( 1.071 0.498 -2.578) 2.836 9.297 ( 2.559 -3.656 -5.748) 7.277 9.461 ( 3.492 4.815 -2.006) 6.277 9.544 ( 2.882 -3.823 -0.727) 4.842 9.635 ( 5.050 3.514 6.367) 8.854 9.665 ( 1.378 -0.314 1.490) 2.054 9.787 ( 0.337 1.831 0.220) 1.875 9.835 ( 1.951 -2.451 1.884) 3.656 9.892 ( -5.099 -0.103 2.623) 5.735 9.948 ( -5.048 -5.085 0.420) 7.177 10.240 ( -1.288 4.791 2.800) 5.697 10.311 ( 0.122 -0.479 3.815) 3.847 10.452 ( -0.493 5.733 -4.528) 7.322 10.558 ( -3.028 -0.197 5.812) 6.556 10.593 ( -5.904 4.308 1.666) 7.496 10.655 ( -0.647 -3.256 1.448) 3.622 10.686 ( 0.794 -0.179 -1.919) 2.085 10.752 ( 0.512 -5.539 -3.303) 6.469 10.875 ( -0.647 0.772 -1.176) 1.548 10.937 ( -0.276 -5.285 -3.430) 6.306 10.976 ( 1.657 0.432 2.432) 2.974 11.037 ( 2.960 -4.301 -0.549) 5.250 11.216 ( -5.063 5.892 1.999) 8.022 11.291 ( 3.110 4.062 -0.001) 5.116 11.323 ( -3.900 -5.697 0.452) 6.919 11.390 ( 2.250 -5.292 1.868) 6.046 11.580 ( 3.124 6.586 -6.020) 9.454 11.709 ( 3.301 -4.308 -8.053) 9.712 11.745 ( 1.278 3.093 -6.203) 7.049 11.864 ( 1.642 -6.907 -6.143) 9.388 12.308 ( -3.006 8.796 -1.310) 9.388 12.349 ( -0.469 6.828 1.636) 7.037 12.485 ( 0.244 -1.366 -0.466) 1.464 12.570 ( -2.350 -8.382 2.165) 8.971 12.674 ( 4.372 7.509 -2.574) 9.062 12.793 ( 3.973 -4.998 -1.254) 6.507 12.931 ( 0.536 1.303 -4.352) 4.575 12.955 ( -0.420 -1.069 -4.855) 4.989 13.557 ( 1.870 1.811 2.092) 3.340 13.590 ( 3.907 -1.809 2.026) 4.758 13.684 ( 0.645 1.523 -0.015) 1.654 13.710 ( 0.381 -1.084 -0.875) 1.444 13.881 ( -3.282 0.859 0.065) 3.393 13.906 ( -4.607 -1.598 -0.256) 4.883 14.012 ( 2.014 0.657 1.911) 2.853 14.018 ( 3.242 -0.089 2.018) 3.819 14.241 ( -0.756 1.955 -2.053) 2.934 14.268 ( -0.255 -0.948 -2.041) 2.265 14.300 ( 2.741 0.590 1.542) 3.200 14.322 ( 1.993 -1.529 -0.136) 2.516 14.621 ( 1.583 2.073 2.653) 3.721 14.662 ( 1.724 -2.344 2.912) 4.117 14.968 ( -2.776 2.207 1.791) 3.973 15.002 ( -2.788 -1.516 1.382) 3.461 17.888 ( -4.383 0.967 -0.533) 4.520 17.916 ( -4.054 -1.950 -0.780) 4.566 17.992 ( -2.241 0.318 -3.325) 4.023 18.003 ( -2.719 -0.737 -3.717) 4.664 18.093 ( -0.933 1.021 1.291) 1.892 18.114 ( -0.724 -1.094 0.711) 1.492 18.248 ( 3.751 1.175 2.711) 4.775 18.266 ( 2.759 -0.671 1.610) 3.264 18.314 ( 0.424 0.389 1.668) 1.765 18.314 ( 0.426 0.273 2.172) 2.230 18.389 ( 0.978 0.113 1.129) 1.498 18.395 ( -0.493 -0.269 0.339) 0.656 19.034 ( 0.978 1.195 1.282) 2.008 19.061 ( 0.824 -1.721 0.194) 1.918 19.263 ( 0.532 0.861 -1.742) 2.015 19.270 ( 0.508 0.135 -1.437) 1.530 20.069 ( -0.299 3.280 -1.154) 3.490 20.128 ( 0.066 -3.033 -3.204) 4.412 20.193 ( 0.970 6.577 -2.152) 6.988 20.306 ( 1.731 -5.536 -5.136) 7.747 20.633 ( -0.156 1.463 -0.217) 1.487 20.659 ( 0.059 -1.324 -0.884) 1.593 20.888 ( 0.212 0.761 -1.063) 1.324 20.900 ( 0.209 -0.551 -1.194) 1.331 21.448 ( -0.232 2.119 1.173) 2.433 21.490 ( 0.331 -2.364 -0.346) 2.412 21.649 ( 0.330 1.504 -0.653) 1.673 21.674 ( 1.465 -0.600 0.259) 1.604 21.692 ( -1.676 0.760 -4.279) 4.658 21.718 ( -0.243 -1.507 -3.696) 3.998 21.833 ( 0.436 2.009 -4.443) 4.896 21.871 ( 0.816 -2.051 -3.302) 3.972 24.757 ( -1.214 1.226 1.817) 2.506 24.779 ( -0.831 -1.130 1.059) 1.757 24.895 ( 0.004 1.067 0.970) 1.443 24.910 ( 0.602 -0.599 0.513) 0.992 24.961 ( 0.720 0.912 1.480) 1.881 24.985 ( -0.146 -1.623 1.254) 2.056 25.120 ( -0.191 1.026 0.464) 1.142 25.134 ( -0.483 -0.519 0.224) 0.744 28.793 ( 0.614 0.527 0.534) 0.970 28.804 ( 0.472 -0.668 0.210) 0.845 28.837 ( -0.006 0.304 -1.035) 1.079 28.842 ( 0.179 -0.224 -1.104) 1.141 29.092 ( -0.355 0.228 -0.274) 0.504 29.096 ( -0.176 -0.279 -0.353) 0.484 29.135 ( 0.308 0.517 -1.454) 1.573 29.143 ( 0.318 -0.319 -1.604) 1.666 35.015 ( -1.396 2.294 3.072) 4.080 35.044 ( 1.460 2.457 5.295) 6.017 35.066 ( 0.768 -1.382 3.148) 3.523 35.131 ( -0.040 -5.278 3.950) 6.592 35.573 ( -6.029 5.890 -5.418) 10.020 35.662 ( -6.868 -2.526 -7.224) 10.282 35.769 ( 2.425 7.664 0.143) 8.040 35.949 ( 16.681 -10.615 -0.506) 19.778 38.114 ( -0.779 1.832 3.124) 3.704 38.153 ( -2.186 -2.249 2.702) 4.140 38.295 ( 0.176 2.415 3.228) 4.035 38.327 ( 1.069 -0.162 2.948) 3.139 38.352 ( -0.804 2.697 -0.680) 2.895 38.425 ( 0.063 -4.131 -2.039) 4.608 38.705 ( -0.581 3.078 -0.258) 3.143 38.783 ( 1.142 -5.052 -2.915) 5.943 39.030 ( 0.075 2.447 -2.959) 3.841 39.064 ( 0.310 -0.884 -3.952) 4.062 39.350 ( -3.554 0.055 -2.737) 4.486 39.358 ( -0.643 -0.720 -3.215) 3.357 39.992 ( 0.021 1.121 5.435) 5.550 40.027 ( -2.910 -2.648 5.320) 6.617 40.268 ( 14.090 3.752 -1.181) 14.628 40.345 ( 15.790 -4.687 -1.222) 16.517 40.701 ( 3.352 1.722 -3.207) 4.949 40.725 ( -0.512 -0.884 -3.471) 3.618 41.254 ( -13.571 5.994 1.860) 14.952 41.362 ( -18.795 -5.669 0.141) 19.632 41.642 ( -3.293 3.825 6.557) 8.274 41.731 ( -4.526 -5.937 5.039) 9.007 42.309 ( 6.089 12.481 -1.659) 13.985 42.539 ( 9.566 -12.207 -7.061) 17.040 ======================= Grid point 74 (43/57) ======================= q-point: ( 0.25 0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.616 ( -11.221 7.120 0.780) 13.312 2.717 ( -6.503 -3.697 -0.199) 7.483 2.790 ( 3.888 10.871 14.146) 18.259 2.975 ( -0.841 -7.833 7.915) 11.167 3.192 ( 5.009 19.773 8.938) 22.269 3.283 ( -4.502 8.238 4.212) 10.289 3.340 ( -3.289 -4.379 -1.121) 5.591 3.526 ( -16.774 18.529 7.692) 26.150 3.584 ( -4.226 -11.230 8.358) 14.623 3.860 ( -0.382 8.675 -3.345) 9.306 3.914 ( -2.136 -0.927 6.542) 6.944 3.970 ( -6.949 -21.699 8.476) 24.310 4.170 ( -5.522 -1.308 5.608) 7.979 4.380 ( 0.368 -17.550 3.226) 17.847 4.487 ( 15.328 6.755 2.721) 16.970 4.635 ( 9.659 -6.286 0.661) 11.544 4.661 ( -4.493 4.698 0.462) 6.516 4.779 ( -3.418 -5.632 1.124) 6.684 4.926 ( 1.454 1.926 2.764) 3.669 4.962 ( 0.725 -1.845 6.578) 6.870 5.104 ( 3.034 3.742 6.198) 7.850 5.140 ( -1.695 0.502 4.546) 4.877 5.181 ( 2.745 2.332 -3.153) 4.786 5.188 ( -4.133 1.606 0.792) 4.505 5.299 ( -0.805 -0.605 1.277) 1.627 5.319 ( -1.826 -1.423 0.303) 2.335 5.456 ( 8.365 -1.363 9.856) 12.999 5.546 ( 5.564 -3.264 -1.218) 6.565 5.607 ( 1.080 7.899 0.827) 8.016 5.646 ( 7.024 -1.371 7.640) 10.469 5.723 ( 2.221 2.100 2.894) 4.209 5.752 ( 0.073 0.299 5.547) 5.555 5.788 ( -1.241 -7.107 2.218) 7.548 5.798 ( 6.983 -0.204 1.742) 7.200 5.898 ( -3.071 -5.882 6.463) 9.263 5.921 ( -0.268 -4.273 3.424) 5.482 5.981 ( -6.363 -1.530 4.714) 8.066 6.035 ( -4.534 -2.833 4.759) 7.158 6.124 ( 4.293 5.384 12.021) 13.854 6.216 ( 1.416 -3.240 9.785) 10.404 6.313 ( 0.067 -0.220 9.054) 9.057 6.356 ( -1.817 -4.158 3.093) 5.491 6.513 ( -0.436 2.370 5.269) 5.794 6.553 ( 1.061 -2.629 5.581) 6.259 6.584 ( -0.969 4.269 8.622) 9.669 6.645 ( -1.952 -0.753 9.337) 9.568 6.667 ( -1.844 -0.009 5.210) 5.527 6.729 ( -9.431 -3.386 9.253) 13.639 6.807 ( 5.595 2.238 1.342) 6.174 6.839 ( 4.398 0.494 5.183) 6.816 6.936 ( -2.753 -0.208 0.149) 2.765 7.011 ( -0.890 -5.424 3.363) 6.443 7.134 ( -5.714 2.361 -6.162) 8.729 7.175 ( -2.207 -2.734 -6.028) 6.977 7.223 ( -0.675 2.445 5.974) 6.490 7.284 ( -0.486 -2.941 2.235) 3.726 7.577 ( -8.988 5.607 -2.102) 10.800 7.652 ( -6.495 -0.056 3.276) 7.275 7.721 ( 5.404 1.510 1.106) 5.719 7.740 ( -2.672 -0.536 4.520) 5.278 7.850 ( -1.828 1.873 -3.337) 4.241 7.892 ( -8.132 -0.396 -4.404) 9.257 8.027 ( -1.832 -0.102 4.390) 4.758 8.066 ( 0.968 -1.017 2.405) 2.784 8.132 ( -4.593 9.951 -6.369) 12.676 8.156 ( -2.632 7.357 0.351) 7.822 8.281 ( 3.310 2.527 -0.930) 4.267 8.317 ( -5.866 -1.037 0.556) 5.982 8.387 ( 2.559 0.105 -3.038) 3.974 8.443 ( 1.209 -6.336 -3.220) 7.209 8.493 ( 0.295 4.177 -0.485) 4.216 8.548 ( -4.452 4.951 2.403) 7.079 8.591 ( 0.957 2.204 0.849) 2.548 8.706 ( 7.409 0.189 -2.077) 7.697 8.749 ( 7.604 -2.999 1.745) 8.358 8.801 ( 8.791 -1.566 -4.721) 10.100 8.867 ( -1.100 -2.075 -2.842) 3.687 8.903 ( 1.582 -0.306 -3.511) 3.863 9.013 ( 2.352 -0.470 -2.554) 3.504 9.038 ( 0.570 -3.090 -2.716) 4.154 9.156 ( -1.230 -1.056 -0.083) 1.623 9.165 ( -1.166 -1.711 1.315) 2.453 9.248 ( 0.709 4.116 -5.521) 6.923 9.329 ( 2.052 -4.216 -6.489) 8.006 9.457 ( -3.657 7.679 -2.723) 8.931 9.545 ( -1.067 -2.062 -4.697) 5.239 9.580 ( -6.373 2.981 -3.918) 8.053 9.678 ( -5.038 -6.262 -1.339) 8.147 9.763 ( -2.104 2.343 6.185) 6.940 9.805 ( -5.550 -3.110 4.143) 7.592 9.851 ( 0.409 -0.349 2.500) 2.557 9.884 ( 0.642 -3.380 3.412) 4.845 10.209 ( -1.039 7.190 2.100) 7.562 10.326 ( -1.464 -4.587 2.554) 5.450 10.409 ( -0.379 7.846 4.674) 9.140 10.523 ( -0.194 4.314 2.368) 4.925 10.569 ( -0.142 -1.660 5.646) 5.886 10.634 ( -0.511 1.844 -4.026) 4.458 10.688 ( -0.124 -0.793 1.011) 1.291 10.770 ( 0.961 -6.250 -0.494) 6.343 10.871 ( 2.011 0.304 -2.401) 3.147 10.952 ( 1.835 -6.215 -0.005) 6.480 11.060 ( 0.528 1.188 -0.297) 1.333 11.110 ( -0.016 -4.940 0.185) 4.943 11.170 ( 4.468 5.506 -0.590) 7.115 11.290 ( 2.609 -4.705 0.487) 5.401 11.357 ( 3.068 2.429 -2.499) 4.643 11.453 ( 1.703 -5.629 1.472) 6.062 11.618 ( 2.805 6.945 -6.628) 10.002 11.715 ( 0.022 6.695 -7.264) 9.879 11.755 ( 2.600 -6.848 -8.359) 11.115 11.859 ( 0.450 -7.840 -7.166) 10.631 12.260 ( -1.448 7.776 3.933) 8.834 12.346 ( -0.611 1.387 2.986) 3.349 12.484 ( 0.406 1.923 -0.851) 2.142 12.533 ( -2.171 -2.892 -0.590) 3.664 12.738 ( 3.023 7.265 -4.428) 9.029 12.841 ( -0.636 -0.562 -4.192) 4.277 12.879 ( -2.821 -1.816 -4.931) 5.964 12.953 ( 3.093 -5.558 -1.156) 6.465 13.542 ( -2.260 1.412 1.642) 3.130 13.555 ( -4.259 0.123 0.295) 4.271 13.736 ( 0.487 -0.068 -0.804) 0.943 13.747 ( 0.683 -1.391 -0.635) 1.674 13.861 ( 2.093 0.928 0.595) 2.365 13.874 ( 1.500 -0.400 0.783) 1.739 14.059 ( 0.449 0.991 -0.465) 1.183 14.065 ( 1.728 0.376 1.016) 2.039 14.248 ( 1.532 0.450 -0.304) 1.625 14.261 ( 0.085 -0.964 -1.544) 1.823 14.356 ( 1.879 -0.090 -0.686) 2.002 14.367 ( 2.737 -1.113 -0.679) 3.031 14.655 ( -0.862 1.930 2.051) 2.945 14.680 ( -1.881 -0.763 1.296) 2.409 14.956 ( 1.180 1.530 3.547) 4.039 14.984 ( 1.147 -1.384 2.438) 3.029 17.823 ( -1.607 0.491 1.663) 2.365 17.843 ( -2.189 -1.653 1.046) 2.935 17.937 ( -0.552 0.543 -1.262) 1.480 17.947 ( -0.549 -0.464 -1.131) 1.340 18.101 ( 0.439 0.964 1.508) 1.843 18.122 ( 0.487 -1.241 1.233) 1.816 18.233 ( -2.529 0.868 -1.137) 2.906 18.246 ( -2.388 -0.413 -0.954) 2.605 18.343 ( -0.298 1.434 3.147) 3.470 18.365 ( 0.376 -0.489 2.755) 2.823 18.404 ( 1.217 1.156 0.387) 1.723 18.432 ( 1.980 -1.554 -0.232) 2.528 19.045 ( -0.413 1.204 0.465) 1.356 19.071 ( -0.003 -1.596 -0.278) 1.620 19.264 ( 0.225 0.885 -1.803) 2.021 19.272 ( 0.266 0.048 -1.538) 1.562 20.066 ( 0.487 2.884 -0.855) 3.047 20.117 ( 0.180 -2.319 -2.402) 3.343 20.195 ( 0.286 6.404 -2.818) 7.003 20.312 ( 0.951 -5.742 -5.607) 8.081 20.633 ( 0.194 1.456 -0.002) 1.469 20.658 ( 0.208 -1.300 -0.638) 1.463 20.882 ( -0.288 0.656 -1.034) 1.258 20.894 ( -0.227 -0.631 -1.196) 1.371 21.459 ( 0.600 2.464 1.647) 3.024 21.505 ( 1.163 -2.510 -0.243) 2.777 21.607 ( -2.396 0.614 -2.365) 3.422 21.617 ( -2.916 -0.394 -2.535) 3.883 21.707 ( 1.211 0.729 -0.557) 1.519 21.727 ( 1.028 -1.305 -0.395) 1.708 21.839 ( 1.681 2.229 -4.791) 5.545 21.877 ( 1.201 -1.887 -3.878) 4.477 24.754 ( 0.254 1.085 2.081) 2.361 24.776 ( -0.036 -1.293 1.512) 1.990 24.893 ( -0.294 1.858 0.559) 1.962 24.923 ( -0.047 -1.272 0.310) 1.310 24.970 ( -0.518 0.530 1.356) 1.545 24.980 ( -0.674 -0.581 0.737) 1.155 25.128 ( 0.214 0.116 0.525) 0.579 25.130 ( 0.333 -0.108 0.668) 0.755 28.805 ( 0.267 0.269 -0.057) 0.383 28.811 ( -0.028 -0.356 -0.241) 0.431 28.833 ( 0.167 0.562 -0.928) 1.098 28.842 ( 0.333 -0.415 -0.999) 1.132 29.085 ( -0.116 0.334 -0.013) 0.353 29.092 ( -0.083 -0.425 -0.096) 0.444 29.134 ( 0.193 0.489 -1.439) 1.533 29.142 ( 0.240 -0.335 -1.616) 1.667 34.997 ( -1.263 3.931 2.259) 4.706 35.082 ( 0.140 -5.278 2.193) 5.718 35.115 ( 1.985 1.655 10.120) 10.445 35.154 ( -0.119 -2.786 7.883) 8.361 35.296 ( -12.328 2.003 -5.351) 13.588 35.329 ( -14.244 -1.591 -7.399) 16.130 36.004 ( 10.845 17.289 -2.825) 20.604 36.317 ( 14.916 -16.456 -11.035) 24.800 38.133 ( 0.471 -0.064 3.075) 3.112 38.137 ( 0.449 -0.544 2.997) 3.079 38.282 ( -2.139 2.685 2.454) 4.220 38.314 ( -1.618 -0.272 1.406) 2.161 38.369 ( 0.307 1.014 1.210) 1.608 38.412 ( -0.434 -3.149 -1.268) 3.422 38.712 ( 1.256 3.913 0.411) 4.131 38.797 ( 0.428 -5.097 -1.096) 5.231 39.081 ( 7.233 2.867 -3.611) 8.577 39.124 ( 7.411 -1.342 -3.598) 8.347 39.342 ( 3.399 3.142 -1.201) 4.782 39.413 ( 5.371 -4.228 -0.369) 6.845 39.781 ( -16.312 0.337 -0.601) 16.326 39.807 ( -15.848 -2.319 -0.073) 16.017 40.146 ( -16.699 6.706 -3.566) 18.345 40.274 ( -15.414 -7.449 -3.146) 17.406 41.025 ( 19.070 6.912 -2.852) 20.484 41.109 ( 15.892 -2.218 -1.109) 16.085 41.210 ( 9.397 0.329 9.105) 13.089 41.249 ( 15.728 -3.936 3.815) 16.655 41.568 ( -6.277 3.162 6.256) 9.410 41.635 ( -7.611 -4.273 5.278) 10.200 42.326 ( -3.401 14.773 -3.968) 15.670 42.601 ( -0.412 -14.753 -9.693) 17.657 ======================= Grid point 75 (44/57) ======================= q-point: (-0.50 0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 91 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.552 ( 3.108 12.795 18.654) 22.833 2.752 ( 6.682 -5.309 16.196) 18.307 3.026 ( 11.619 7.429 12.683) 18.736 3.075 ( -1.119 14.855 11.176) 18.623 3.213 ( -2.112 -1.014 12.205) 12.427 3.358 ( 8.951 0.098 1.280) 9.043 3.397 ( 6.959 0.718 4.932) 8.560 3.467 ( 4.909 13.993 12.981) 19.708 3.582 ( 3.292 -7.421 6.877) 10.640 3.787 ( -10.360 -11.036 2.431) 15.331 3.813 ( -5.608 1.168 5.160) 7.710 4.014 ( 8.329 1.010 3.243) 8.995 4.142 ( 1.508 -4.212 3.210) 5.506 4.377 ( -4.088 -5.848 -4.112) 8.235 4.472 ( -2.381 0.217 -1.994) 3.113 4.607 ( -5.085 -6.855 -2.246) 8.825 4.642 ( -11.830 3.960 1.828) 12.608 4.746 ( -6.209 -2.749 4.806) 8.319 4.815 ( -12.615 -0.561 3.763) 13.176 4.924 ( -5.354 -5.898 4.558) 9.177 5.010 ( -9.648 6.568 4.164) 12.392 5.106 ( -3.903 -2.539 -1.129) 4.791 5.175 ( 0.454 -0.797 5.616) 5.690 5.183 ( 4.435 0.873 8.651) 9.761 5.347 ( 4.529 0.979 -2.632) 5.329 5.391 ( 0.080 -2.256 -2.791) 3.590 5.490 ( -4.703 0.859 7.245) 8.680 5.517 ( -7.997 -2.838 8.479) 11.996 5.604 ( -2.268 8.144 -1.116) 8.527 5.653 ( -5.722 -0.526 6.653) 8.791 5.696 ( -5.919 -4.169 5.194) 8.911 5.777 ( -2.966 -0.634 6.501) 7.173 5.819 ( -4.307 -5.355 13.090) 14.784 5.852 ( -5.381 -12.758 -1.577) 13.936 5.895 ( 2.373 5.402 2.354) 6.353 5.964 ( 7.178 -1.787 0.558) 7.418 6.027 ( 7.988 0.865 6.521) 10.347 6.075 ( 3.268 -2.126 6.632) 7.693 6.190 ( -1.916 1.195 1.669) 2.808 6.219 ( -2.147 -1.967 5.685) 6.388 6.329 ( 1.510 4.835 5.919) 7.790 6.423 ( -2.321 -4.172 2.154) 5.238 6.451 ( -2.556 2.110 3.196) 4.604 6.515 ( 2.612 -3.902 8.293) 9.529 6.563 ( -1.797 3.569 0.286) 4.006 6.622 ( 2.348 -2.212 1.807) 3.697 6.701 ( -1.876 0.322 3.217) 3.738 6.756 ( 1.468 -4.280 0.645) 4.571 6.856 ( 1.504 2.101 3.581) 4.416 6.902 ( -4.545 -1.970 1.585) 5.201 6.989 ( 3.659 0.227 0.305) 3.679 7.005 ( -2.560 -1.685 -1.965) 3.641 7.096 ( 7.168 3.778 0.918) 8.155 7.178 ( 6.703 -3.594 -1.299) 7.716 7.206 ( -2.245 5.279 4.444) 7.257 7.302 ( -0.938 -4.342 3.628) 5.735 7.410 ( -7.022 5.815 -0.027) 9.117 7.524 ( -8.106 -6.112 -1.229) 10.226 7.750 ( 0.537 4.014 -1.580) 4.347 7.795 ( 5.589 3.260 3.637) 7.422 7.842 ( 1.503 -0.004 -3.124) 3.467 7.900 ( 3.115 -2.019 1.272) 3.924 7.947 ( 2.089 5.690 0.212) 6.066 8.002 ( -4.496 7.047 -4.539) 9.512 8.108 ( 2.568 2.493 -3.747) 5.181 8.135 ( 1.218 3.202 -0.940) 3.552 8.234 ( 0.835 1.511 1.717) 2.435 8.309 ( -0.183 -5.948 3.800) 7.061 8.376 ( -2.607 0.027 -0.719) 2.704 8.430 ( -2.155 -4.800 -2.453) 5.805 8.510 ( 2.526 7.250 4.943) 9.131 8.558 ( 4.061 10.543 -1.318) 11.374 8.638 ( 2.905 -4.788 3.674) 6.698 8.734 ( -1.417 -6.757 -3.690) 7.828 8.849 ( 4.625 3.648 -0.652) 5.927 8.898 ( 0.984 4.964 -0.855) 5.133 8.973 ( 3.261 -5.518 -3.252) 7.187 8.976 ( 3.687 0.651 -3.095) 4.858 9.022 ( -2.039 -1.650 -2.153) 3.393 9.044 ( -0.150 -2.223 -4.404) 4.935 9.096 ( -3.234 0.512 -0.242) 3.283 9.135 ( 0.373 -2.154 -0.777) 2.320 9.254 ( 1.331 4.017 -1.651) 4.543 9.321 ( 0.530 -1.295 -1.641) 2.156 9.385 ( -1.092 5.702 0.815) 5.863 9.462 ( -3.374 2.724 -3.089) 5.325 9.495 ( -1.212 -3.622 -2.347) 4.483 9.566 ( -3.465 -7.573 -2.709) 8.758 9.725 ( -1.961 -0.188 4.243) 4.678 9.748 ( -1.042 -2.534 3.267) 4.264 9.910 ( 3.122 0.610 1.447) 3.495 9.943 ( 3.139 -2.572 2.641) 4.842 10.219 ( 0.474 5.155 2.383) 5.699 10.304 ( -1.080 -3.000 1.905) 3.714 10.424 ( -1.004 8.761 4.783) 10.032 10.571 ( 3.307 6.264 -0.239) 7.087 10.597 ( -0.439 -0.928 2.855) 3.034 10.611 ( 0.991 -0.449 1.154) 1.586 10.687 ( -0.306 0.162 -0.545) 0.645 10.782 ( -0.042 -7.435 2.076) 7.719 10.901 ( 0.773 -1.690 -2.352) 2.998 10.979 ( -0.040 -5.074 0.954) 5.163 11.010 ( -2.172 2.247 0.994) 3.280 11.098 ( -0.541 -7.042 0.929) 7.124 11.267 ( 2.220 5.308 -1.233) 5.884 11.365 ( 1.604 3.608 1.275) 4.149 11.379 ( -0.346 -4.471 -1.176) 4.636 11.458 ( -1.341 -4.217 1.671) 4.730 11.638 ( 0.349 5.317 -3.945) 6.630 11.683 ( 1.261 7.696 -7.452) 10.786 11.749 ( -0.706 -6.398 -4.680) 7.958 11.836 ( 1.063 -8.558 -7.265) 11.276 12.275 ( 0.376 6.639 5.614) 8.703 12.372 ( 1.238 -1.538 4.993) 5.369 12.493 ( 0.086 3.510 -1.746) 3.921 12.496 ( 1.118 3.631 -2.656) 4.636 12.745 ( -1.610 -0.507 -2.373) 2.912 12.794 ( -1.682 -1.494 -5.288) 5.746 12.830 ( 1.627 5.192 -2.427) 5.958 12.986 ( 0.270 -8.362 -5.387) 9.950 13.490 ( -1.620 1.774 -1.302) 2.733 13.512 ( -1.080 -0.420 -1.400) 1.818 13.699 ( -2.113 2.118 0.282) 3.005 13.739 ( -0.960 -2.178 0.953) 2.564 13.874 ( -0.911 0.409 -0.008) 0.998 13.885 ( -0.366 -0.739 0.346) 0.894 14.096 ( 2.740 1.881 0.410) 3.349 14.124 ( 2.019 -0.919 0.557) 2.287 14.240 ( -0.849 0.593 -3.540) 3.688 14.258 ( -0.032 -1.160 -2.906) 3.129 14.358 ( -1.865 0.685 -4.276) 4.715 14.370 ( -1.495 -0.549 -4.333) 4.617 14.616 ( -1.276 0.674 1.140) 1.839 14.637 ( -1.953 -1.352 0.631) 2.458 15.008 ( 1.322 1.930 3.097) 3.881 15.036 ( 1.564 -1.040 2.249) 2.930 17.851 ( 3.014 0.436 5.185) 6.013 17.871 ( 3.204 -1.712 5.403) 6.510 17.972 ( 3.483 1.244 3.014) 4.771 17.989 ( 3.718 -0.563 3.489) 5.130 18.102 ( -1.808 0.627 0.973) 2.147 18.116 ( -2.192 -0.819 0.945) 2.524 18.193 ( -0.399 0.929 0.578) 1.165 18.212 ( -0.291 -1.106 0.301) 1.183 18.304 ( -2.995 1.449 -0.690) 3.398 18.331 ( -3.537 -1.286 -0.564) 3.805 18.431 ( 0.936 1.591 -1.701) 2.510 18.454 ( 0.428 -0.833 -1.964) 2.176 19.026 ( -1.286 1.619 0.068) 2.069 19.060 ( -0.698 -2.052 -0.778) 2.302 19.259 ( 0.230 0.910 -1.982) 2.192 19.269 ( 0.170 -0.088 -1.782) 1.792 20.079 ( 0.872 2.431 -0.959) 2.755 20.118 ( 0.789 -1.025 -1.758) 2.183 20.185 ( 0.080 5.615 -2.780) 6.266 20.301 ( 0.420 -5.906 -5.486) 8.072 20.638 ( 0.178 1.402 0.188) 1.426 20.661 ( 0.214 -1.081 -0.404) 1.173 20.875 ( 0.182 0.708 -0.992) 1.232 20.888 ( 0.287 -0.755 -1.134) 1.392 21.471 ( -0.404 2.699 0.915) 2.879 21.515 ( -0.578 -1.857 -1.013) 2.193 21.580 ( 0.956 0.121 -0.583) 1.126 21.583 ( 0.656 -0.127 0.076) 0.673 21.724 ( 1.018 -0.050 -1.645) 1.935 21.737 ( 0.453 -1.370 -1.884) 2.373 21.853 ( 1.541 1.852 -4.891) 5.452 21.883 ( 0.998 -1.378 -4.876) 5.164 24.780 ( 0.654 0.671 2.450) 2.623 24.792 ( 1.063 -0.669 2.300) 2.621 24.875 ( -1.609 1.033 0.439) 1.962 24.893 ( -2.034 -0.907 -0.073) 2.228 24.968 ( -0.210 1.187 0.977) 1.551 24.985 ( 0.601 -0.723 0.411) 1.026 25.132 ( 0.272 0.188 0.141) 0.360 25.138 ( -0.173 -0.419 0.302) 0.545 28.798 ( -0.856 0.211 -0.127) 0.891 28.802 ( -0.377 -0.293 -0.142) 0.499 28.837 ( 0.472 0.546 -1.057) 1.280 28.845 ( 0.280 -0.312 -1.185) 1.257 29.089 ( 0.459 0.186 0.016) 0.495 29.093 ( 0.237 -0.293 -0.064) 0.382 29.133 ( 0.249 0.497 -1.345) 1.456 29.141 ( 0.319 -0.384 -1.518) 1.598 34.988 ( -0.282 4.711 1.249) 4.882 35.079 ( -3.700 -1.889 -1.395) 4.382 35.089 ( -5.098 -1.056 0.882) 5.281 35.114 ( -2.674 -4.052 0.927) 4.942 35.210 ( 2.186 0.072 12.395) 12.586 35.219 ( 3.168 -0.570 14.775) 15.122 36.095 ( 0.240 17.370 -9.666) 19.880 36.391 ( -1.931 -14.627 -16.536) 22.161 38.144 ( -0.045 2.385 2.231) 3.266 38.183 ( 1.320 -1.061 1.305) 2.138 38.255 ( -0.973 1.438 3.821) 4.197 38.291 ( -1.584 -1.912 2.691) 3.662 38.361 ( -0.672 0.972 0.679) 1.362 38.410 ( 0.951 -3.572 -2.056) 4.229 38.739 ( 0.383 3.150 0.833) 3.280 38.787 ( -0.609 -2.164 -0.433) 2.290 39.266 ( 2.885 2.264 -1.629) 4.013 39.308 ( 3.944 -1.212 -2.957) 5.076 39.385 ( 0.532 0.059 -2.410) 2.469 39.416 ( 3.236 -2.103 -3.637) 5.303 39.597 ( 4.360 2.833 0.116) 5.201 39.662 ( 5.827 -3.859 1.892) 7.241 39.792 ( -12.949 5.636 -3.746) 14.611 39.901 ( -15.939 -5.989 -3.121) 17.310 41.176 ( -5.617 4.815 7.020) 10.198 41.266 ( -6.006 -4.919 7.412) 10.734 41.416 ( 0.640 2.519 5.649) 6.218 41.458 ( 3.526 -1.728 4.544) 6.005 41.663 ( 16.020 6.933 0.019) 17.456 41.800 ( 24.425 -7.526 -5.334) 26.109 42.147 ( -11.274 14.803 -4.674) 19.185 42.436 ( -11.200 -16.120 -11.277) 22.638 ======================= Grid point 76 (45/57) ======================= q-point: (-0.25 0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.718 ( -0.204 21.455 13.870) 25.548 2.991 ( -0.596 20.727 21.536) 29.896 3.023 ( -0.270 -11.815 8.081) 14.316 3.255 ( -5.805 -5.055 5.011) 9.185 3.288 ( 6.549 5.921 14.203) 16.723 3.465 ( -7.962 -9.410 3.035) 12.695 3.488 ( 3.887 0.550 -0.409) 3.947 3.616 ( 10.613 -13.379 11.961) 20.849 3.724 ( 7.133 0.892 2.337) 7.559 3.764 ( 10.261 -2.389 -0.919) 10.576 3.913 ( 6.903 13.869 13.823) 20.762 4.119 ( -12.190 17.011 4.954) 21.506 4.151 ( -6.370 -5.879 8.328) 12.021 4.224 ( -3.126 12.614 -3.692) 13.510 4.325 ( 2.546 8.219 1.783) 8.787 4.476 ( -9.124 -10.456 1.661) 13.976 4.544 ( -9.090 -16.528 4.338) 19.355 4.590 ( -0.223 5.263 4.972) 7.243 4.617 ( 0.716 -12.361 3.652) 12.909 4.815 ( -2.429 -15.533 3.463) 16.099 4.923 ( -1.188 4.358 5.799) 7.351 5.037 ( -0.620 -7.145 0.555) 7.194 5.227 ( 0.179 3.953 5.921) 7.122 5.259 ( -3.309 0.563 5.707) 6.620 5.322 ( -2.429 1.041 0.563) 2.702 5.358 ( -9.548 0.123 8.076) 12.506 5.390 ( -6.646 -2.228 7.272) 10.100 5.415 ( 3.444 -3.632 2.152) 5.448 5.476 ( -4.885 6.600 0.975) 8.269 5.600 ( -2.958 -3.333 6.117) 7.568 5.694 ( 1.904 0.995 2.800) 3.529 5.740 ( -2.548 -2.860 3.930) 5.488 5.784 ( -2.180 -3.515 6.022) 7.306 5.830 ( 0.184 -7.819 4.547) 9.047 5.934 ( 0.745 3.239 4.810) 5.847 5.981 ( -5.606 -0.657 -3.201) 6.489 6.070 ( -7.408 0.829 6.419) 9.837 6.084 ( -5.581 0.155 7.559) 9.397 6.125 ( -3.466 -2.010 -2.148) 4.546 6.158 ( -3.694 -2.735 4.752) 6.611 6.343 ( -2.207 4.330 0.031) 4.860 6.400 ( 2.025 -0.686 1.187) 2.445 6.454 ( 1.276 0.109 0.008) 1.280 6.460 ( 2.218 -0.379 4.515) 5.045 6.581 ( -4.740 1.793 -0.080) 5.068 6.650 ( -3.223 -4.569 3.931) 6.835 6.686 ( -3.516 3.003 5.326) 7.053 6.757 ( -5.098 -3.525 4.133) 7.450 6.909 ( 3.844 -0.763 -1.222) 4.105 6.926 ( 0.678 -1.967 -0.038) 2.081 7.021 ( 4.515 0.055 -2.642) 5.232 7.043 ( 6.795 -1.991 -0.181) 7.083 7.174 ( 1.139 3.212 1.143) 3.595 7.191 ( -1.309 3.761 2.866) 4.907 7.283 ( 2.639 4.999 2.052) 6.014 7.386 ( 2.571 -2.134 1.391) 3.619 7.417 ( 7.970 -0.384 7.571) 10.999 7.471 ( 5.063 -4.372 2.090) 7.008 7.700 ( 0.457 6.164 -4.216) 7.482 7.778 ( -0.615 -0.182 -3.679) 3.734 7.865 ( -3.931 1.627 1.101) 4.395 7.881 ( -1.112 -1.058 2.829) 3.219 7.986 ( 5.141 7.680 -3.671) 9.944 8.070 ( 0.736 -1.988 0.540) 2.188 8.126 ( -0.032 4.309 -1.451) 4.547 8.224 ( 6.580 3.210 -6.310) 9.665 8.292 ( -0.822 -1.852 -1.108) 2.309 8.327 ( 4.548 2.183 0.499) 5.069 8.410 ( 4.742 -1.675 1.344) 5.205 8.448 ( 1.694 -2.994 -2.305) 4.141 8.563 ( 0.034 6.274 0.839) 6.330 8.620 ( 2.156 7.238 1.767) 7.757 8.675 ( -3.046 -3.352 -1.496) 4.770 8.727 ( -1.725 -1.973 3.306) 4.219 8.772 ( -7.445 3.539 -2.108) 8.508 8.850 ( -6.630 0.757 -0.485) 6.690 8.930 ( -3.367 1.581 -2.980) 4.766 8.973 ( -1.331 -3.517 -4.217) 5.650 8.988 ( 2.477 -0.159 -4.187) 4.868 9.032 ( 2.831 -1.222 -0.759) 3.176 9.081 ( 1.703 1.121 -3.959) 4.453 9.170 ( 1.738 -5.927 -3.230) 6.971 9.237 ( -1.850 2.936 -0.603) 3.523 9.322 ( -2.253 -4.702 -2.417) 5.747 9.409 ( 0.721 1.587 0.105) 1.746 9.430 ( 4.392 2.438 7.216) 8.792 9.536 ( 2.707 -3.384 -2.563) 5.034 9.555 ( 5.924 -2.707 2.173) 6.866 9.749 ( 1.761 1.219 3.702) 4.277 9.782 ( 2.336 -2.732 1.836) 4.036 9.951 ( -0.184 1.224 -0.338) 1.283 9.993 ( 0.189 -3.051 1.696) 3.496 10.235 ( 0.056 3.501 2.234) 4.153 10.299 ( -0.141 -2.490 2.315) 3.403 10.427 ( 1.192 10.096 -0.150) 10.167 10.585 ( 0.062 4.638 2.794) 5.415 10.642 ( -0.335 -6.920 3.052) 7.570 10.653 ( 3.046 -1.442 -3.649) 4.968 10.667 ( -1.099 4.222 1.924) 4.768 10.782 ( -0.737 -6.647 0.349) 6.697 10.874 ( -1.104 0.138 -1.064) 1.539 10.963 ( -0.549 -5.316 -1.463) 5.541 11.015 ( -1.003 1.043 1.490) 2.077 11.068 ( -3.289 -5.774 -0.500) 6.664 11.248 ( -1.440 6.167 0.088) 6.333 11.315 ( -4.186 1.405 3.398) 5.571 11.369 ( -2.936 -1.996 3.564) 5.031 11.422 ( -2.892 -3.857 0.627) 4.861 11.580 ( -1.476 5.782 -5.886) 8.382 11.699 ( 0.025 -3.262 -5.288) 6.213 11.727 ( 2.760 2.533 -5.549) 6.695 11.849 ( 2.238 -7.200 -5.840) 9.537 12.308 ( 0.932 7.154 3.577) 8.053 12.399 ( -1.174 2.874 -0.513) 3.147 12.475 ( -0.926 2.930 1.194) 3.297 12.551 ( 4.248 3.418 -1.532) 5.663 12.683 ( -3.504 -1.934 -3.430) 5.271 12.748 ( 0.135 -6.345 -0.683) 6.383 12.891 ( 4.257 3.746 -3.674) 6.757 12.967 ( 1.196 -3.666 -6.006) 7.137 13.492 ( 2.674 0.874 -0.158) 2.818 13.497 ( 1.307 0.521 -0.860) 1.650 13.687 ( -0.238 1.760 1.554) 2.359 13.731 ( -0.447 -2.740 0.805) 2.891 13.874 ( 1.105 1.094 2.277) 2.757 13.896 ( 1.506 -1.152 1.845) 2.645 14.069 ( -5.703 1.357 -1.670) 6.096 14.090 ( -4.775 -0.824 -1.632) 5.113 14.241 ( 1.789 1.287 -1.734) 2.804 14.263 ( 2.339 -0.803 -3.056) 3.931 14.286 ( -1.657 1.099 -3.911) 4.388 14.309 ( -1.732 -1.468 -2.561) 3.422 14.607 ( -0.765 0.713 0.988) 1.439 14.629 ( 0.644 -1.763 1.798) 2.599 15.012 ( -1.777 2.262 1.838) 3.414 15.044 ( -1.431 -1.279 1.518) 2.447 17.946 ( 2.232 -0.216 3.622) 4.260 17.952 ( 0.780 -0.764 2.644) 2.860 18.034 ( -3.157 0.466 -0.659) 3.258 18.041 ( -2.324 -0.355 0.765) 2.472 18.089 ( 5.043 1.581 5.008) 7.281 18.116 ( 3.457 -1.220 3.166) 4.844 18.186 ( -1.739 -0.005 -0.074) 1.741 18.195 ( -1.926 -0.993 0.139) 2.172 18.273 ( 1.186 0.944 0.838) 1.732 18.289 ( 1.529 -0.746 0.613) 1.808 18.413 ( -1.695 1.536 -2.582) 3.449 18.432 ( -1.522 -0.392 -2.514) 2.965 19.013 ( 0.158 1.679 0.941) 1.931 19.049 ( 0.121 -2.233 -0.333) 2.261 19.259 ( 0.530 0.821 -1.899) 2.136 19.267 ( 0.373 0.055 -1.692) 1.734 20.081 ( -0.188 2.970 -1.280) 3.240 20.130 ( 1.013 -1.809 -2.650) 3.364 20.182 ( 0.654 5.732 -2.036) 6.118 20.294 ( 1.231 -5.721 -4.992) 7.692 20.638 ( -0.201 1.401 -0.041) 1.416 20.661 ( 0.049 -1.110 -0.669) 1.297 20.881 ( 0.730 0.813 -1.005) 1.484 20.895 ( 0.683 -0.654 -1.135) 1.477 21.457 ( -0.880 2.177 0.612) 2.427 21.495 ( -0.584 -1.864 -0.594) 2.041 21.617 ( 2.037 0.855 0.178) 2.217 21.625 ( 2.614 0.237 0.673) 2.709 21.730 ( -0.187 -0.613 -3.087) 3.153 21.734 ( 0.871 -0.811 -4.463) 4.619 21.854 ( 0.231 1.013 -4.706) 4.819 21.874 ( 0.377 -1.192 -4.670) 4.834 24.780 ( -1.456 1.269 2.084) 2.841 24.801 ( -1.487 -0.973 1.208) 2.149 24.877 ( 1.152 0.001 1.298) 1.736 24.880 ( 1.256 -0.297 1.351) 1.868 24.958 ( -0.844 1.810 0.441) 2.045 24.990 ( -0.401 -1.646 0.370) 1.734 25.128 ( -0.563 0.659 -0.099) 0.872 25.138 ( 0.077 -0.436 0.289) 0.529 28.785 ( -0.248 0.556 0.501) 0.789 28.797 ( -0.035 -0.737 0.284) 0.791 28.840 ( 0.218 0.312 -1.166) 1.227 28.844 ( 0.138 -0.114 -1.276) 1.288 29.097 ( 0.087 0.046 -0.285) 0.302 29.098 ( 0.226 -0.090 -0.299) 0.385 29.133 ( 0.391 0.528 -1.347) 1.499 29.142 ( 0.398 -0.378 -1.503) 1.600 34.998 ( 0.848 4.095 1.754) 4.535 35.036 ( 0.007 0.458 1.424) 1.496 35.040 ( -1.423 0.511 3.979) 4.257 35.119 ( 0.294 -7.069 1.380) 7.208 35.390 ( 8.156 1.156 15.028) 17.138 35.421 ( 14.213 -2.153 12.615) 19.125 35.949 ( -9.302 12.131 -11.089) 18.885 36.147 ( -13.757 -9.391 -15.625) 22.838 38.132 ( -1.731 3.239 2.079) 4.220 38.187 ( -1.344 -1.569 1.357) 2.472 38.267 ( 0.095 0.509 3.589) 3.626 38.291 ( 0.756 -0.549 3.760) 3.874 38.364 ( 0.235 1.401 0.113) 1.425 38.424 ( 1.073 -4.097 -2.780) 5.066 38.727 ( -1.286 2.925 0.269) 3.206 38.781 ( 0.232 -2.754 -1.594) 3.190 39.105 ( -6.478 1.642 -4.187) 7.886 39.143 ( -6.609 -2.093 -4.484) 8.257 39.449 ( -5.969 3.367 -3.530) 7.708 39.511 ( -8.908 -3.125 -2.452) 9.753 39.762 ( 16.731 4.148 0.851) 17.259 39.836 ( 20.606 -3.693 -0.997) 20.958 39.870 ( 15.669 1.749 1.749) 15.863 39.924 ( 12.858 -3.719 4.705) 14.188 40.925 ( -16.419 3.189 2.111) 16.858 40.993 ( -17.101 -4.115 0.635) 17.600 41.511 ( -0.894 2.910 8.355) 8.893 41.547 ( -1.979 0.021 7.389) 7.649 41.726 ( -9.081 10.907 -4.964) 15.035 41.969 ( -14.696 -13.364 -10.454) 22.446 42.116 ( 11.209 9.012 0.616) 14.396 42.302 ( 13.353 -10.303 -5.311) 17.682 ======================= Grid point 85 (46/57) ======================= q-point: ( 0.00 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 57 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.529 ( 5.435 0.000 19.158) 19.914 2.716 ( -11.642 0.000 -4.613) 12.523 2.973 ( -1.441 0.000 -6.555) 6.712 3.012 ( -4.987 0.000 3.223) 5.938 3.143 ( -3.327 0.000 -16.877) 17.201 3.200 ( -4.148 0.000 -12.916) 13.566 3.418 ( -21.519 0.000 22.029) 30.795 3.650 ( -2.912 0.000 -0.080) 2.914 3.806 ( -13.678 0.000 2.914) 13.984 3.854 ( 11.374 0.000 0.124) 11.375 3.966 ( 6.422 0.000 6.487) 9.128 4.014 ( 6.615 0.000 4.652) 8.087 4.267 ( 6.169 0.000 -5.350) 8.166 4.294 ( 6.441 0.000 -6.284) 8.999 4.625 ( 5.850 0.000 11.838) 13.205 4.763 ( -1.355 0.000 -2.442) 2.793 4.813 ( -5.530 0.000 1.874) 5.839 4.872 ( 0.877 0.000 -0.685) 1.113 4.940 ( 1.112 0.000 3.576) 3.745 5.024 ( 0.041 0.000 0.732) 0.734 5.073 ( 2.165 0.000 -2.564) 3.356 5.103 ( -8.562 0.000 -1.846) 8.759 5.188 ( 10.017 0.000 9.529) 13.826 5.294 ( 4.038 0.000 2.192) 4.595 5.317 ( -3.505 0.000 -1.623) 3.862 5.343 ( -5.680 0.000 -0.329) 5.689 5.468 ( -3.451 0.000 4.377) 5.574 5.484 ( 1.806 0.000 3.437) 3.883 5.564 ( 4.077 0.000 -2.253) 4.658 5.634 ( 0.121 0.000 -8.663) 8.664 5.738 ( -4.277 0.000 9.092) 10.048 5.841 ( -0.527 0.000 0.464) 0.702 5.912 ( 7.026 0.000 2.705) 7.529 5.986 ( -3.481 0.000 -2.747) 4.434 6.102 ( -3.096 0.000 4.533) 5.490 6.107 ( 8.792 0.000 6.866) 11.155 6.194 ( 0.400 0.000 1.455) 1.509 6.274 ( -7.879 0.000 0.931) 7.934 6.281 ( 4.352 0.000 6.549) 7.863 6.331 ( -3.760 0.000 1.236) 3.958 6.429 ( 4.173 0.000 6.071) 7.367 6.450 ( -5.659 0.000 -0.548) 5.686 6.465 ( 10.255 0.000 3.934) 10.983 6.557 ( -3.472 0.000 -0.682) 3.538 6.653 ( -4.740 0.000 6.847) 8.327 6.717 ( 4.115 0.000 0.690) 4.172 6.797 ( -4.021 0.000 4.904) 6.342 6.833 ( -5.350 0.000 6.105) 8.117 6.864 ( 1.609 0.000 5.510) 5.740 6.927 ( -1.193 0.000 -4.596) 4.749 7.036 ( -0.559 0.000 -5.013) 5.044 7.065 ( 4.131 0.000 -5.334) 6.746 7.141 ( 1.616 0.000 9.064) 9.207 7.331 ( 4.233 0.000 -9.151) 10.083 7.393 ( -1.083 0.000 10.093) 10.151 7.461 ( 0.150 0.000 4.089) 4.091 7.552 ( 2.311 0.000 3.990) 4.611 7.572 ( -1.787 0.000 2.269) 2.888 7.653 ( 4.294 0.000 -2.890) 5.176 7.702 ( -0.012 0.000 -6.189) 6.189 7.718 ( -3.078 0.000 5.153) 6.002 7.778 ( -4.009 0.000 -2.607) 4.783 7.919 ( -0.400 0.000 6.967) 6.978 8.053 ( -2.764 0.000 -6.212) 6.799 8.091 ( -10.501 0.000 7.398) 12.845 8.169 ( -0.648 0.000 1.428) 1.569 8.184 ( 3.400 0.000 -5.967) 6.867 8.297 ( 8.447 0.000 0.792) 8.485 8.359 ( -5.044 0.000 2.630) 5.689 8.362 ( 4.504 0.000 1.500) 4.747 8.458 ( 7.641 0.000 1.836) 7.858 8.509 ( -3.404 0.000 0.955) 3.536 8.553 ( -6.358 0.000 -4.924) 8.042 8.639 ( 2.082 0.000 -10.234) 10.444 8.698 ( -5.167 0.000 1.931) 5.516 8.744 ( 0.146 0.000 -2.952) 2.955 8.797 ( 6.153 0.000 0.385) 6.165 8.839 ( -1.734 0.000 -3.312) 3.739 8.984 ( -0.446 0.000 -1.172) 1.254 9.055 ( -1.055 0.000 -3.962) 4.100 9.170 ( 6.903 0.000 -1.787) 7.130 9.176 ( -5.929 0.000 -5.645) 8.187 9.319 ( 3.731 0.000 1.033) 3.871 9.342 ( -2.861 0.000 -0.130) 2.864 9.344 ( 0.513 0.000 6.765) 6.784 9.479 ( 0.388 0.000 -5.526) 5.540 9.607 ( -4.772 0.000 0.576) 4.807 9.615 ( 5.374 0.000 0.343) 5.385 9.894 ( 1.632 0.000 7.260) 7.442 9.956 ( -4.137 0.000 -0.663) 4.190 9.972 ( 2.322 0.000 1.429) 2.727 10.118 ( -4.845 0.000 -9.354) 10.534 10.224 ( -2.362 0.000 7.399) 7.767 10.278 ( 0.824 0.000 5.720) 5.779 10.317 ( 1.157 0.000 -1.779) 2.122 10.351 ( -3.927 0.000 0.891) 4.027 10.636 ( -4.603 0.000 3.859) 6.007 10.698 ( 8.259 0.000 -4.889) 9.597 10.712 ( -2.920 0.000 -7.408) 7.963 10.789 ( 6.024 0.000 -10.615) 12.205 11.021 ( -3.580 0.000 5.423) 6.498 11.022 ( 1.529 0.000 6.759) 6.930 11.114 ( -5.548 0.000 4.256) 6.992 11.126 ( 2.105 0.000 8.291) 8.554 11.162 ( -5.829 0.000 6.446) 8.691 11.273 ( 0.445 0.000 -4.383) 4.406 11.370 ( 4.286 0.000 -6.843) 8.075 11.375 ( 0.410 0.000 -1.975) 2.017 11.496 ( -2.481 0.000 -5.801) 6.309 11.561 ( 2.507 0.000 -4.866) 5.474 11.649 ( 6.047 0.000 0.529) 6.070 11.780 ( -3.905 0.000 -8.986) 9.797 12.156 ( 0.098 0.000 3.143) 3.145 12.221 ( 0.995 0.000 -3.688) 3.820 12.399 ( -0.207 0.000 3.516) 3.522 12.447 ( 0.919 0.000 -1.911) 2.120 12.802 ( -3.161 0.000 2.385) 3.960 12.868 ( -4.099 0.000 -0.628) 4.146 12.876 ( 7.442 0.000 0.289) 7.447 12.895 ( 0.879 0.000 -4.697) 4.779 13.591 ( 1.849 0.000 3.895) 4.311 13.655 ( 1.528 0.000 -1.800) 2.361 13.672 ( -0.785 0.000 1.044) 1.306 13.687 ( 0.763 0.000 -0.104) 0.770 13.899 ( -1.690 0.000 2.005) 2.622 13.938 ( -3.186 0.000 -0.243) 3.195 14.019 ( -0.921 0.000 0.206) 0.944 14.054 ( 1.970 0.000 -0.001) 1.970 14.225 ( 1.688 0.000 3.182) 3.602 14.249 ( 1.539 0.000 0.503) 1.619 14.313 ( -0.205 0.000 -1.396) 1.411 14.329 ( 3.217 0.000 -1.072) 3.391 14.627 ( 1.527 0.000 3.193) 3.539 14.698 ( -1.688 0.000 -2.935) 3.385 14.969 ( 0.920 0.000 3.105) 3.239 15.021 ( -1.972 0.000 -1.607) 2.544 17.880 ( -2.038 0.000 0.550) 2.111 17.912 ( -0.976 0.000 -2.383) 2.575 17.950 ( -2.957 0.000 -1.085) 3.150 17.964 ( -1.854 0.000 -2.144) 2.835 18.103 ( -0.492 0.000 0.859) 0.990 18.115 ( 0.859 0.000 -0.322) 0.918 18.230 ( 1.009 0.000 -0.033) 1.010 18.241 ( -1.007 0.000 -1.115) 1.502 18.341 ( 0.020 0.000 1.975) 1.975 18.356 ( 1.282 0.000 0.517) 1.383 18.426 ( 1.327 0.000 1.958) 2.365 18.433 ( 0.935 0.000 1.087) 1.434 19.045 ( 0.022 0.000 1.144) 1.144 19.069 ( 0.604 0.000 -1.369) 1.496 19.243 ( 0.775 0.000 0.196) 0.800 19.245 ( -0.345 0.000 -0.001) 0.345 20.033 ( -0.468 0.000 2.371) 2.416 20.095 ( 0.457 0.000 -3.784) 3.812 20.138 ( -1.319 0.000 5.456) 5.613 20.265 ( 1.798 0.000 -6.759) 6.994 20.627 ( -0.503 0.000 1.431) 1.517 20.657 ( 0.433 0.000 -1.432) 1.496 20.867 ( 0.011 0.000 0.323) 0.324 20.883 ( 0.171 0.000 -1.121) 1.134 21.467 ( -0.537 0.000 2.237) 2.301 21.493 ( 1.403 0.000 -1.171) 1.828 21.601 ( 1.384 0.000 -1.330) 1.920 21.607 ( -2.157 0.000 -1.078) 2.411 21.678 ( -1.186 0.000 -1.591) 1.984 21.686 ( 1.005 0.000 -2.432) 2.631 21.781 ( 0.509 0.000 3.472) 3.509 21.858 ( 0.176 0.000 -3.532) 3.536 24.773 ( -1.156 0.000 1.600) 1.974 24.797 ( 0.774 0.000 -0.718) 1.056 24.888 ( -2.283 0.000 0.750) 2.403 24.902 ( 1.967 0.000 -0.699) 2.087 24.991 ( 0.855 0.000 1.780) 1.975 25.022 ( -0.890 0.000 -1.137) 1.444 25.123 ( 1.952 0.000 1.500) 2.462 25.142 ( -1.572 0.000 -0.316) 1.603 28.795 ( 0.338 0.000 0.466) 0.576 28.805 ( -0.139 0.000 -0.567) 0.584 28.825 ( -0.169 0.000 -0.062) 0.180 28.829 ( 0.409 0.000 -0.437) 0.599 29.088 ( -0.409 0.000 0.247) 0.478 29.098 ( 0.274 0.000 -0.778) 0.825 29.105 ( 0.048 0.000 0.338) 0.342 29.119 ( 0.108 0.000 -1.051) 1.057 35.044 ( -4.491 0.000 3.565) 5.734 35.105 ( 6.520 0.000 -2.163) 6.869 35.169 ( 6.648 0.000 11.403) 13.199 35.325 ( -1.957 0.000 0.435) 2.005 35.333 ( -2.734 0.000 -2.407) 3.642 35.463 ( -12.767 0.000 -14.783) 19.533 35.775 ( -6.206 0.000 12.153) 13.646 36.003 ( 16.661 0.000 -10.012) 19.438 38.133 ( 0.841 0.000 2.153) 2.311 38.171 ( 0.209 0.000 -1.369) 1.385 38.307 ( -2.016 0.000 2.475) 3.192 38.339 ( 0.745 0.000 -0.460) 0.875 38.345 ( -2.180 0.000 3.049) 3.748 38.423 ( 1.509 0.000 -4.349) 4.603 38.727 ( -2.868 0.000 2.241) 3.640 38.781 ( 5.128 0.000 -3.340) 6.120 38.970 ( 2.908 0.000 -0.685) 2.987 38.984 ( -4.718 0.000 -1.711) 5.018 39.323 ( -7.259 0.000 -0.432) 7.272 39.333 ( 6.305 0.000 -1.336) 6.445 40.065 ( 1.580 0.000 3.444) 3.789 40.134 ( 5.173 0.000 -3.207) 6.086 40.219 ( -8.473 0.000 6.154) 10.472 40.357 ( 12.859 0.000 -7.129) 14.703 40.652 ( -6.128 0.000 1.940) 6.428 40.688 ( 4.539 0.000 -1.740) 4.861 41.232 ( 5.409 0.000 5.944) 8.036 41.365 ( -15.402 0.000 -6.802) 16.837 41.712 ( 0.165 0.000 6.859) 6.861 41.835 ( -2.249 0.000 -5.095) 5.569 42.282 ( -4.741 0.000 13.274) 14.096 42.547 ( 9.385 0.000 -12.420) 15.567 ======================= Grid point 86 (47/57) ======================= q-point: ( 0.25 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.536 ( -4.967 0.000 5.111) 7.127 2.808 ( 11.223 0.000 16.836) 20.234 3.012 ( -13.210 0.000 4.340) 13.905 3.047 ( 8.936 0.000 15.057) 17.509 3.075 ( 10.733 0.000 5.146) 11.903 3.135 ( 2.608 0.000 -1.186) 2.865 3.229 ( -0.557 0.000 12.623) 12.635 3.453 ( -2.944 0.000 1.564) 3.333 3.739 ( -10.635 0.000 2.812) 11.001 3.760 ( -0.716 0.000 2.906) 2.993 3.989 ( -11.654 0.000 3.323) 12.119 4.174 ( -10.275 0.000 -9.329) 13.878 4.439 ( 20.229 0.000 -2.265) 20.355 4.457 ( 15.269 0.000 -13.028) 20.072 4.698 ( -3.429 0.000 6.263) 7.140 4.738 ( -1.027 0.000 -0.856) 1.337 4.851 ( 4.146 0.000 4.417) 6.058 4.876 ( -4.795 0.000 3.335) 5.840 4.933 ( -0.326 0.000 1.266) 1.307 4.952 ( -0.713 0.000 -4.966) 5.017 5.012 ( 2.486 0.000 3.638) 4.406 5.204 ( 5.972 0.000 -0.053) 5.973 5.225 ( -4.869 0.000 0.446) 4.889 5.308 ( -4.873 0.000 4.886) 6.901 5.310 ( 1.342 0.000 -6.707) 6.840 5.415 ( -0.053 0.000 0.560) 0.562 5.468 ( 2.237 0.000 0.632) 2.325 5.519 ( 11.073 0.000 0.539) 11.086 5.626 ( 2.131 0.000 -4.221) 4.729 5.656 ( 3.946 0.000 -0.658) 4.001 5.724 ( -0.708 0.000 5.821) 5.864 5.819 ( -0.374 0.000 0.731) 0.821 5.944 ( 1.783 0.000 -1.805) 2.537 5.947 ( -8.686 0.000 -0.256) 8.690 6.091 ( 2.498 0.000 0.250) 2.510 6.140 ( -1.558 0.000 3.825) 4.130 6.166 ( -7.038 0.000 -2.783) 7.568 6.202 ( 2.977 0.000 4.269) 5.204 6.339 ( 0.524 0.000 6.442) 6.463 6.364 ( 4.402 0.000 6.043) 7.476 6.429 ( 3.050 0.000 5.791) 6.545 6.485 ( -4.668 0.000 -1.951) 5.059 6.498 ( -1.175 0.000 -6.446) 6.552 6.649 ( 3.139 0.000 -3.563) 4.749 6.694 ( 4.795 0.000 10.575) 11.611 6.711 ( -6.124 0.000 5.086) 7.960 6.808 ( -1.862 0.000 4.178) 4.574 6.813 ( 7.129 0.000 5.467) 8.984 6.857 ( -1.512 0.000 4.056) 4.328 6.926 ( -3.000 0.000 -7.331) 7.921 7.050 ( -0.980 0.000 0.453) 1.079 7.058 ( -6.019 0.000 -2.245) 6.424 7.153 ( -14.340 0.000 3.023) 14.656 7.161 ( -0.943 0.000 2.783) 2.938 7.324 ( -2.522 0.000 -3.699) 4.477 7.342 ( -1.767 0.000 -9.251) 9.418 7.426 ( -9.820 0.000 5.926) 11.469 7.511 ( -5.493 0.000 -0.770) 5.547 7.618 ( -2.224 0.000 1.517) 2.692 7.648 ( -0.855 0.000 -6.257) 6.316 7.748 ( 0.928 0.000 3.286) 3.415 7.808 ( 4.658 0.000 2.679) 5.374 7.925 ( -5.620 0.000 6.596) 8.666 7.965 ( -4.320 0.000 -1.217) 4.489 7.969 ( 0.083 0.000 6.803) 6.803 8.236 ( 1.907 0.000 2.110) 2.844 8.258 ( 1.407 0.000 2.031) 2.471 8.297 ( -1.935 0.000 3.371) 3.887 8.411 ( 1.942 0.000 0.460) 1.996 8.417 ( 4.227 0.000 -7.489) 8.600 8.528 ( -0.735 0.000 2.333) 2.446 8.555 ( 4.471 0.000 0.201) 4.475 8.613 ( 11.921 0.000 -7.184) 13.919 8.624 ( -2.829 0.000 3.746) 4.695 8.699 ( -3.004 0.000 -1.009) 3.169 8.730 ( -0.987 0.000 -0.142) 0.997 8.816 ( 8.348 0.000 -5.416) 9.951 8.873 ( 1.347 0.000 -2.836) 3.139 8.980 ( -5.009 0.000 -3.741) 6.252 9.010 ( 2.573 0.000 2.776) 3.785 9.053 ( 1.362 0.000 -6.831) 6.966 9.158 ( -5.169 0.000 -2.337) 5.673 9.245 ( -8.244 0.000 3.050) 8.790 9.261 ( -5.748 0.000 -1.995) 6.084 9.435 ( 0.794 0.000 -2.304) 2.437 9.453 ( 4.764 0.000 3.541) 5.935 9.577 ( 0.682 0.000 1.816) 1.940 9.732 ( 2.619 0.000 -2.421) 3.567 9.894 ( -3.793 0.000 10.586) 11.245 9.909 ( 1.562 0.000 1.850) 2.421 9.987 ( -3.674 0.000 -5.236) 6.397 10.045 ( -1.158 0.000 2.217) 2.501 10.205 ( 1.960 0.000 4.512) 4.920 10.272 ( -3.856 0.000 1.408) 4.105 10.305 ( -1.224 0.000 8.326) 8.416 10.347 ( 2.338 0.000 -2.955) 3.768 10.543 ( -4.036 0.000 -0.123) 4.038 10.595 ( -2.694 0.000 -8.432) 8.852 10.869 ( 6.843 0.000 -2.395) 7.250 10.926 ( 6.337 0.000 -7.072) 9.496 10.990 ( -1.390 0.000 4.687) 4.888 11.058 ( -5.966 0.000 7.436) 9.533 11.075 ( 0.657 0.000 8.295) 8.321 11.119 ( 4.508 0.000 4.589) 6.433 11.249 ( 5.388 0.000 8.100) 9.728 11.252 ( 0.619 0.000 -8.870) 8.892 11.402 ( 2.867 0.000 -7.138) 7.692 11.427 ( 2.402 0.000 -0.124) 2.405 11.481 ( 1.771 0.000 0.578) 1.863 11.647 ( -1.085 0.000 -7.814) 7.889 11.670 ( 5.623 0.000 -5.984) 8.211 11.768 ( 4.448 0.000 0.328) 4.460 12.185 ( 1.465 0.000 2.918) 3.265 12.251 ( 3.620 0.000 -4.958) 6.139 12.371 ( -3.659 0.000 1.737) 4.050 12.421 ( -2.851 0.000 -1.761) 3.351 12.734 ( -4.126 0.000 4.752) 6.294 12.774 ( -2.574 0.000 -1.406) 2.933 12.887 ( -0.084 0.000 -3.748) 3.749 13.014 ( 4.641 0.000 -3.359) 5.729 13.512 ( -6.436 0.000 -1.404) 6.588 13.538 ( -4.804 0.000 -0.571) 4.837 13.719 ( -0.348 0.000 0.792) 0.865 13.754 ( 2.408 0.000 -1.881) 3.055 13.923 ( 0.949 0.000 3.734) 3.853 13.952 ( 0.437 0.000 5.711) 5.727 13.987 ( 0.762 0.000 -2.164) 2.294 14.090 ( 2.683 0.000 -0.926) 2.838 14.242 ( -2.865 0.000 -1.002) 3.035 14.246 ( -0.732 0.000 -1.708) 1.858 14.297 ( 0.630 0.000 -4.560) 4.603 14.327 ( -1.913 0.000 -3.643) 4.115 14.644 ( -1.395 0.000 -2.360) 2.742 14.672 ( 0.966 0.000 3.086) 3.234 15.002 ( 1.172 0.000 -1.187) 1.668 15.012 ( 0.864 0.000 3.227) 3.341 17.887 ( 1.831 0.000 3.977) 4.378 17.920 ( 2.217 0.000 1.014) 2.438 17.956 ( 2.917 0.000 4.657) 5.495 17.979 ( 2.713 0.000 2.463) 3.664 18.108 ( 0.599 0.000 0.574) 0.829 18.131 ( 0.500 0.000 -0.729) 0.884 18.216 ( -0.545 0.000 -1.179) 1.299 18.223 ( -1.921 0.000 0.291) 1.943 18.333 ( -3.485 0.000 -0.715) 3.558 18.339 ( -0.118 0.000 -0.210) 0.241 18.424 ( -2.017 0.000 -0.715) 2.140 18.437 ( -0.274 0.000 -1.868) 1.888 19.036 ( -1.161 0.000 0.688) 1.350 19.068 ( -0.004 0.000 -1.879) 1.879 19.232 ( -0.596 0.000 -0.370) 0.702 19.251 ( -0.108 0.000 -0.367) 0.383 20.043 ( 0.334 0.000 2.441) 2.464 20.095 ( 1.010 0.000 -3.380) 3.528 20.127 ( -1.849 0.000 5.458) 5.762 20.267 ( 1.108 0.000 -7.034) 7.121 20.626 ( -0.190 0.000 1.446) 1.459 20.659 ( 0.299 0.000 -1.311) 1.344 20.863 ( -0.396 0.000 0.350) 0.528 20.879 ( 0.022 0.000 -1.165) 1.165 21.455 ( -0.956 0.000 1.056) 1.424 21.503 ( -0.474 0.000 -2.275) 2.324 21.557 ( -0.743 0.000 -0.151) 0.758 21.625 ( -0.215 0.000 2.795) 2.803 21.658 ( 0.932 0.000 -3.619) 3.737 21.725 ( 2.770 0.000 -0.737) 2.866 21.796 ( -0.475 0.000 2.664) 2.706 21.836 ( -0.454 0.000 -4.344) 4.367 24.780 ( 1.174 0.000 1.901) 2.234 24.826 ( 1.880 0.000 -0.671) 1.997 24.849 ( -1.592 0.000 1.192) 1.989 24.938 ( 0.963 0.000 -0.399) 1.042 24.977 ( -2.326 0.000 -1.342) 2.686 24.996 ( -1.048 0.000 1.569) 1.887 25.117 ( -0.026 0.000 -0.516) 0.516 25.161 ( 0.718 0.000 0.583) 0.925 28.802 ( 0.100 0.000 -0.650) 0.658 28.803 ( 0.228 0.000 0.206) 0.308 28.816 ( -0.661 0.000 -0.061) 0.664 28.832 ( 0.077 0.000 -0.608) 0.613 29.084 ( -0.015 0.000 0.456) 0.457 29.100 ( 0.140 0.000 -0.610) 0.626 29.107 ( -0.025 0.000 0.367) 0.368 29.118 ( 0.243 0.000 -1.061) 1.089 34.968 ( -3.357 0.000 1.959) 3.887 35.130 ( -6.836 0.000 -6.970) 9.763 35.250 ( 1.292 0.000 -3.160) 3.414 35.280 ( -2.492 0.000 4.164) 4.853 35.322 ( 2.152 0.000 1.122) 2.426 35.399 ( 7.443 0.000 16.937) 18.500 35.664 ( -6.989 0.000 4.088) 8.097 36.213 ( 8.693 0.000 -21.048) 22.772 38.161 ( 0.132 0.000 0.965) 0.974 38.170 ( 0.300 0.000 -1.574) 1.603 38.277 ( -0.650 0.000 3.827) 3.881 38.348 ( 0.837 0.000 2.782) 2.906 38.370 ( 1.861 0.000 -1.982) 2.718 38.428 ( 0.566 0.000 -1.598) 1.695 38.686 ( -1.559 0.000 1.710) 2.314 38.828 ( -2.516 0.000 -4.759) 5.384 38.993 ( 9.717 0.000 -0.078) 9.717 39.081 ( 7.603 0.000 0.720) 7.637 39.273 ( 2.705 0.000 -0.036) 2.705 39.511 ( 9.096 0.000 0.737) 9.126 39.812 ( -16.415 0.000 0.448) 16.421 39.853 ( -19.710 0.000 -5.680) 20.512 39.885 ( -20.768 0.000 -0.443) 20.773 40.327 ( -11.994 0.000 -8.182) 14.519 40.893 ( 18.483 0.000 5.164) 19.190 41.073 ( 18.772 0.000 -4.611) 19.330 41.334 ( 18.212 0.000 1.155) 18.248 41.459 ( 6.443 0.000 9.735) 11.674 41.701 ( -2.004 0.000 10.958) 11.140 41.715 ( -8.169 0.000 -4.237) 9.202 42.159 ( -10.841 0.000 8.515) 13.785 42.581 ( -0.213 0.000 -16.694) 16.695 ======================= Grid point 87 (48/57) ======================= q-point: (-0.50 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 57 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.627 ( 10.447 0.000 11.793) 15.754 2.631 ( -16.096 0.000 10.350) 19.137 3.172 ( 0.797 0.000 6.785) 6.832 3.249 ( 11.811 0.000 0.410) 11.818 3.315 ( 10.870 0.000 12.502) 16.567 3.436 ( 0.223 0.000 8.673) 8.676 3.451 ( 18.877 0.000 15.493) 24.421 3.542 ( 5.883 0.000 -6.578) 8.825 3.553 ( 7.928 0.000 4.438) 9.086 3.680 ( -8.864 0.000 -6.295) 10.872 3.739 ( -4.089 0.000 -7.565) 8.600 3.851 ( -14.686 0.000 -14.733) 20.803 4.568 ( -11.476 0.000 4.498) 12.326 4.568 ( -3.357 0.000 6.342) 7.176 4.690 ( -6.434 0.000 5.210) 8.279 4.716 ( -2.175 0.000 6.164) 6.536 4.795 ( -0.234 0.000 3.617) 3.625 4.845 ( 3.564 0.000 1.548) 3.886 4.982 ( -1.890 0.000 6.279) 6.557 5.021 ( 0.534 0.000 2.333) 2.393 5.048 ( -4.953 0.000 0.366) 4.966 5.065 ( 1.903 0.000 -2.590) 3.214 5.256 ( 1.731 0.000 -6.533) 6.759 5.286 ( 4.603 0.000 -5.256) 6.986 5.314 ( -1.677 0.000 -2.246) 2.803 5.340 ( 1.532 0.000 -0.608) 1.648 5.584 ( -8.250 0.000 -2.346) 8.577 5.624 ( -6.258 0.000 4.740) 7.850 5.635 ( 1.908 0.000 -5.315) 5.647 5.670 ( 8.028 0.000 1.552) 8.176 5.795 ( 3.512 0.000 4.207) 5.480 5.811 ( -4.808 0.000 4.880) 6.850 5.917 ( -4.165 0.000 -3.431) 5.396 5.930 ( 4.230 0.000 -1.886) 4.631 6.097 ( 9.074 0.000 4.276) 10.031 6.133 ( -1.361 0.000 9.412) 9.509 6.260 ( 4.027 0.000 5.678) 6.961 6.268 ( -12.327 0.000 -5.361) 13.442 6.318 ( 9.282 0.000 3.183) 9.812 6.320 ( -8.914 0.000 -3.049) 9.421 6.359 ( -3.594 0.000 7.875) 8.657 6.422 ( -1.354 0.000 -8.480) 8.587 6.510 ( -4.404 0.000 3.155) 5.418 6.549 ( -5.565 0.000 -0.349) 5.576 6.569 ( -3.913 0.000 11.000) 11.676 6.733 ( -3.522 0.000 5.682) 6.685 6.761 ( 4.763 0.000 -5.680) 7.413 6.865 ( 4.381 0.000 -4.832) 6.523 6.901 ( 3.786 0.000 3.998) 5.506 6.944 ( 1.567 0.000 0.923) 1.818 6.986 ( 0.921 0.000 3.918) 4.025 6.996 ( -0.734 0.000 1.682) 1.835 7.109 ( -3.965 0.000 2.692) 4.793 7.140 ( -0.213 0.000 1.272) 1.290 7.238 ( -6.710 0.000 0.022) 6.710 7.268 ( 0.548 0.000 -8.924) 8.941 7.407 ( -3.143 0.000 1.791) 3.618 7.472 ( 10.131 0.000 -4.419) 11.053 7.574 ( -4.481 0.000 4.524) 6.367 7.653 ( 2.613 0.000 -0.908) 2.766 7.739 ( -0.241 0.000 1.868) 1.883 7.805 ( -2.133 0.000 -3.041) 3.715 7.900 ( -2.588 0.000 0.138) 2.592 7.903 ( 3.294 0.000 -1.306) 3.543 8.045 ( 1.179 0.000 12.753) 12.807 8.248 ( -1.829 0.000 4.369) 4.736 8.307 ( 5.362 0.000 9.014) 10.488 8.367 ( 2.482 0.000 3.884) 4.609 8.391 ( -2.072 0.000 -6.996) 7.296 8.448 ( -4.840 0.000 -4.511) 6.616 8.468 ( -0.003 0.000 1.443) 1.443 8.584 ( -6.885 0.000 -3.881) 7.903 8.632 ( 4.549 0.000 -0.033) 4.549 8.699 ( 7.274 0.000 2.568) 7.714 8.711 ( 1.908 0.000 -9.492) 9.682 8.748 ( 3.475 0.000 3.965) 5.272 8.845 ( -2.748 0.000 -10.188) 10.553 8.858 ( -0.611 0.000 -4.098) 4.144 8.986 ( -9.797 0.000 -1.077) 9.856 9.028 ( 7.650 0.000 -2.939) 8.195 9.076 ( 1.311 0.000 0.393) 1.369 9.088 ( 2.199 0.000 2.649) 3.443 9.151 ( -0.176 0.000 -2.556) 2.562 9.168 ( -0.302 0.000 -5.109) 5.118 9.469 ( 0.585 0.000 4.103) 4.145 9.532 ( 0.026 0.000 -1.093) 1.094 9.604 ( 1.620 0.000 6.071) 6.284 9.700 ( -2.979 0.000 -3.444) 4.554 9.878 ( -2.462 0.000 10.430) 10.717 9.950 ( 1.677 0.000 0.547) 1.764 9.967 ( -3.076 0.000 -0.511) 3.118 10.008 ( 5.888 0.000 -1.765) 6.147 10.220 ( -2.666 0.000 5.497) 6.110 10.294 ( -2.644 0.000 3.643) 4.501 10.325 ( 5.708 0.000 1.610) 5.931 10.360 ( 0.316 0.000 -3.911) 3.924 10.469 ( -1.602 0.000 -1.260) 2.038 10.551 ( 2.042 0.000 -7.013) 7.304 10.942 ( -1.258 0.000 -2.322) 2.640 10.949 ( -0.907 0.000 -3.664) 3.775 11.003 ( 0.144 0.000 8.157) 8.158 11.019 ( 1.416 0.000 10.965) 11.056 11.105 ( -1.899 0.000 -1.395) 2.357 11.202 ( 1.249 0.000 0.094) 1.252 11.248 ( 1.638 0.000 -3.239) 3.630 11.336 ( -1.452 0.000 1.675) 2.217 11.418 ( 1.805 0.000 -2.249) 2.884 11.455 ( -0.567 0.000 -0.683) 0.888 11.526 ( 0.480 0.000 2.550) 2.595 11.582 ( -0.073 0.000 -4.214) 4.214 11.791 ( -2.423 0.000 -4.176) 4.828 11.814 ( 6.646 0.000 -3.518) 7.520 12.222 ( -1.634 0.000 4.550) 4.835 12.296 ( -1.157 0.000 1.579) 1.958 12.322 ( 4.155 0.000 -5.920) 7.233 12.330 ( -3.473 0.000 -1.340) 3.722 12.696 ( -1.170 0.000 4.612) 4.758 12.769 ( 2.478 0.000 -2.524) 3.537 12.902 ( 2.479 0.000 1.101) 2.712 12.988 ( -4.275 0.000 -6.906) 8.122 13.430 ( -0.742 0.000 0.183) 0.765 13.451 ( -1.798 0.000 -1.868) 2.592 13.718 ( -0.252 0.000 3.835) 3.844 13.776 ( 0.630 0.000 -1.724) 1.836 13.928 ( -1.250 0.000 3.015) 3.264 13.930 ( -0.348 0.000 1.517) 1.557 14.072 ( 4.126 0.000 1.012) 4.249 14.125 ( -1.514 0.000 -2.258) 2.719 14.163 ( -1.518 0.000 -1.152) 1.906 14.202 ( -0.683 0.000 -3.968) 4.027 14.258 ( -3.674 0.000 -0.653) 3.732 14.298 ( 1.304 0.000 -3.942) 4.152 14.658 ( 2.834 0.000 0.339) 2.854 14.661 ( -2.774 0.000 0.267) 2.786 15.012 ( -1.719 0.000 1.874) 2.543 15.041 ( 2.247 0.000 -1.054) 2.482 17.979 ( 4.099 0.000 4.514) 6.097 17.990 ( 2.534 0.000 2.453) 3.527 18.048 ( 1.264 0.000 3.360) 3.590 18.060 ( 3.277 0.000 3.027) 4.461 18.101 ( -2.746 0.000 -1.081) 2.951 18.111 ( -0.508 0.000 -1.313) 1.408 18.200 ( 1.962 0.000 1.437) 2.432 18.229 ( -2.036 0.000 -0.788) 2.183 18.248 ( 0.953 0.000 0.284) 0.994 18.301 ( -4.572 0.000 -2.908) 5.418 18.382 ( -0.138 0.000 -0.042) 0.144 18.409 ( -1.492 0.000 -2.274) 2.720 19.018 ( -0.670 0.000 1.561) 1.698 19.058 ( 0.096 0.000 -2.287) 2.289 19.228 ( 0.366 0.000 0.104) 0.381 19.239 ( -0.603 0.000 -0.839) 1.033 20.054 ( -0.449 0.000 1.762) 1.818 20.103 ( 0.997 0.000 -3.116) 3.271 20.120 ( -0.960 0.000 6.072) 6.148 20.256 ( 0.997 0.000 -7.155) 7.224 20.630 ( -0.054 0.000 1.372) 1.373 20.657 ( 0.107 0.000 -1.273) 1.277 20.858 ( -0.205 0.000 0.500) 0.541 20.877 ( 0.337 0.000 -1.245) 1.290 21.446 ( -0.265 0.000 1.173) 1.203 21.476 ( -0.466 0.000 -2.032) 2.084 21.571 ( 1.216 0.000 0.884) 1.503 21.613 ( -0.564 0.000 -1.798) 1.884 21.682 ( 1.046 0.000 1.980) 2.240 21.764 ( 0.635 0.000 -3.463) 3.520 21.783 ( -1.460 0.000 1.130) 1.847 21.821 ( 1.418 0.000 -3.056) 3.369 24.813 ( -0.158 0.000 2.011) 2.017 24.846 ( -0.194 0.000 -1.022) 1.040 24.857 ( 2.710 0.000 2.074) 3.412 24.891 ( -2.504 0.000 -1.299) 2.821 24.964 ( -2.304 0.000 1.212) 2.603 24.984 ( 1.992 0.000 -0.762) 2.132 25.138 ( 1.539 0.000 0.510) 1.622 25.149 ( -1.757 0.000 -0.432) 1.810 28.796 ( -0.723 0.000 0.246) 0.764 28.805 ( 0.402 0.000 -0.589) 0.713 28.814 ( 0.346 0.000 0.382) 0.516 28.827 ( -0.173 0.000 -0.858) 0.875 29.090 ( 0.307 0.000 0.271) 0.410 29.099 ( 0.022 0.000 -0.645) 0.645 29.106 ( -0.200 0.000 0.355) 0.408 29.120 ( 0.309 0.000 -1.009) 1.055 34.940 ( 0.058 0.000 2.283) 2.284 34.997 ( -2.558 0.000 -3.181) 4.082 35.229 ( -4.334 0.000 5.639) 7.113 35.310 ( 4.818 0.000 1.222) 4.970 35.417 ( 5.794 0.000 0.216) 5.798 35.481 ( -4.411 0.000 -1.665) 4.714 35.667 ( 3.512 0.000 20.969) 21.261 36.158 ( -4.272 0.000 -25.204) 25.563 38.143 ( -1.627 0.000 1.909) 2.508 38.171 ( 0.187 0.000 -0.463) 0.500 38.299 ( 0.490 0.000 2.819) 2.862 38.376 ( 0.500 0.000 -4.420) 4.449 38.394 ( 1.516 0.000 2.849) 3.227 38.429 ( -0.760 0.000 -0.948) 1.215 38.685 ( 0.786 0.000 2.815) 2.923 38.753 ( -1.840 0.000 -3.562) 4.009 39.220 ( 5.192 0.000 -0.380) 5.206 39.234 ( -0.382 0.000 -1.766) 1.807 39.402 ( -7.428 0.000 0.787) 7.470 39.431 ( 12.573 0.000 -1.699) 12.687 39.541 ( -8.334 0.000 -1.494) 8.467 39.545 ( -1.234 0.000 -2.055) 2.397 39.864 ( 13.936 0.000 4.534) 14.655 39.959 ( -17.454 0.000 -4.511) 18.028 41.206 ( 2.294 0.000 6.801) 7.178 41.334 ( 0.501 0.000 -5.353) 5.376 41.436 ( -1.167 0.000 3.747) 3.925 41.496 ( -1.952 0.000 -1.998) 2.793 41.691 ( -12.499 0.000 8.200) 14.948 41.821 ( 23.097 0.000 -5.581) 23.761 42.072 ( 3.087 0.000 13.973) 14.310 42.407 ( -8.903 0.000 -17.899) 19.991 ======================= Grid point 88 (49/57) ======================= q-point: (-0.25 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.457 ( -5.696 0.000 15.550) 16.561 2.929 ( 7.118 0.000 4.320) 8.326 3.049 ( -9.502 0.000 -4.681) 10.592 3.144 ( -9.505 0.000 -10.937) 14.490 3.379 ( -4.915 0.000 -12.030) 12.995 3.417 ( -10.356 0.000 -17.425) 20.269 3.510 ( 1.711 0.000 -2.671) 3.172 3.576 ( 6.755 0.000 -13.835) 15.396 3.714 ( 14.240 0.000 6.611) 15.699 3.715 ( -4.789 0.000 7.806) 9.158 3.944 ( 16.498 0.000 6.766) 17.832 3.966 ( 14.634 0.000 9.415) 17.401 4.193 ( -16.182 0.000 7.596) 17.877 4.336 ( -22.160 0.000 7.636) 23.439 4.583 ( -3.679 0.000 12.649) 13.173 4.746 ( 0.865 0.000 8.479) 8.523 4.845 ( 5.049 0.000 -2.167) 5.494 4.917 ( -3.449 0.000 2.308) 4.150 4.934 ( -1.742 0.000 1.873) 2.558 5.012 ( -1.169 0.000 0.291) 1.205 5.039 ( 4.862 0.000 -3.401) 5.933 5.046 ( -3.626 0.000 5.694) 6.751 5.243 ( -0.511 0.000 -2.325) 2.380 5.266 ( -4.548 0.000 -0.729) 4.606 5.379 ( 0.584 0.000 2.838) 2.898 5.429 ( 5.564 0.000 -3.071) 6.355 5.468 ( -1.836 0.000 0.208) 1.847 5.531 ( -0.897 0.000 4.117) 4.214 5.554 ( -8.733 0.000 -0.787) 8.768 5.647 ( -3.887 0.000 -0.566) 3.928 5.811 ( -4.406 0.000 8.281) 9.380 5.829 ( 3.857 0.000 -2.617) 4.661 5.857 ( -4.225 0.000 -2.456) 4.887 5.917 ( 5.093 0.000 0.731) 5.145 6.063 ( -2.649 0.000 6.438) 6.961 6.095 ( -1.938 0.000 -1.314) 2.342 6.207 ( -6.387 0.000 -1.298) 6.517 6.216 ( -0.229 0.000 4.822) 4.827 6.327 ( -1.419 0.000 6.167) 6.329 6.329 ( 1.632 0.000 7.301) 7.481 6.382 ( -4.087 0.000 6.847) 7.974 6.413 ( 6.030 0.000 3.674) 7.061 6.502 ( -3.834 0.000 1.676) 4.184 6.575 ( 1.831 0.000 0.336) 1.862 6.693 ( 2.003 0.000 6.713) 7.005 6.726 ( -4.630 0.000 -0.496) 4.657 6.737 ( 8.355 0.000 6.762) 10.748 6.905 ( -3.281 0.000 0.971) 3.422 6.942 ( -6.458 0.000 -4.467) 7.852 6.975 ( 6.727 0.000 -3.665) 7.661 7.005 ( -4.674 0.000 -0.764) 4.736 7.011 ( -1.877 0.000 9.621) 9.803 7.103 ( 1.557 0.000 0.077) 1.559 7.231 ( 12.055 0.000 1.531) 12.152 7.260 ( 17.583 0.000 -0.308) 17.586 7.289 ( 5.242 0.000 -5.261) 7.427 7.426 ( -6.984 0.000 7.753) 10.435 7.452 ( 4.245 0.000 2.032) 4.706 7.620 ( 2.255 0.000 -3.329) 4.021 7.694 ( 1.830 0.000 -2.766) 3.316 7.760 ( -1.377 0.000 4.288) 4.504 7.817 ( 2.564 0.000 -5.644) 6.199 7.926 ( -0.693 0.000 1.838) 1.965 7.975 ( 12.832 0.000 -0.636) 12.847 8.100 ( -1.391 0.000 14.429) 14.496 8.186 ( -5.523 0.000 -6.804) 8.764 8.312 ( -4.993 0.000 -3.071) 5.862 8.314 ( -4.583 0.000 -2.125) 5.051 8.356 ( 0.677 0.000 -1.333) 1.495 8.421 ( -0.964 0.000 7.195) 7.260 8.424 ( -6.645 0.000 -0.269) 6.650 8.604 ( 4.289 0.000 5.375) 6.876 8.634 ( 1.026 0.000 -3.896) 4.029 8.704 ( -1.255 0.000 -9.902) 9.982 8.743 ( 0.350 0.000 -9.057) 9.064 8.744 ( -10.847 0.000 1.458) 10.945 8.810 ( -5.214 0.000 -2.720) 5.881 8.835 ( 2.678 0.000 0.598) 2.744 8.938 ( 13.894 0.000 -1.768) 14.006 9.042 ( -3.909 0.000 -3.424) 5.196 9.085 ( -0.676 0.000 -1.175) 1.356 9.127 ( 5.989 0.000 -2.204) 6.381 9.234 ( 6.208 0.000 -0.386) 6.220 9.283 ( 9.810 0.000 -0.364) 9.817 9.428 ( -7.559 0.000 -1.746) 7.757 9.452 ( -3.081 0.000 3.254) 4.481 9.631 ( -2.357 0.000 -3.205) 3.978 9.674 ( 0.226 0.000 3.653) 3.660 9.838 ( -2.007 0.000 6.207) 6.523 9.959 ( 0.431 0.000 -0.731) 0.849 9.992 ( 0.866 0.000 0.475) 0.987 10.134 ( 5.982 0.000 -1.434) 6.152 10.212 ( -1.062 0.000 9.318) 9.378 10.261 ( -0.303 0.000 0.111) 0.323 10.337 ( -0.892 0.000 -7.751) 7.802 10.397 ( 0.306 0.000 0.282) 0.416 10.493 ( 5.177 0.000 -0.054) 5.177 10.626 ( 7.613 0.000 -7.594) 10.753 10.842 ( -8.421 0.000 1.469) 8.548 10.877 ( -3.884 0.000 -4.743) 6.130 11.029 ( -3.613 0.000 0.901) 3.723 11.058 ( 0.940 0.000 8.443) 8.495 11.100 ( -1.874 0.000 8.008) 8.224 11.198 ( -1.719 0.000 -0.217) 1.733 11.218 ( -4.784 0.000 -1.457) 5.001 11.252 ( 0.778 0.000 -1.808) 1.968 11.395 ( -3.187 0.000 -5.297) 6.182 11.428 ( -3.933 0.000 4.954) 6.325 11.530 ( 2.207 0.000 -1.295) 2.559 11.566 ( -0.035 0.000 -4.264) 4.264 11.650 ( -6.519 0.000 -8.240) 10.507 11.863 ( -0.301 0.000 -6.044) 6.051 12.165 ( -2.838 0.000 3.849) 4.782 12.245 ( -2.118 0.000 -2.916) 3.604 12.354 ( 2.647 0.000 4.576) 5.287 12.406 ( 3.957 0.000 -2.985) 4.956 12.735 ( 3.612 0.000 2.960) 4.670 12.831 ( 4.457 0.000 -4.204) 6.127 12.876 ( -3.319 0.000 -3.111) 4.549 12.948 ( -0.800 0.000 2.610) 2.730 13.477 ( 4.372 0.000 1.609) 4.659 13.496 ( 6.521 0.000 2.421) 6.956 13.716 ( -1.727 0.000 2.046) 2.677 13.756 ( -2.075 0.000 -1.895) 2.810 13.941 ( -0.423 0.000 2.065) 2.108 13.962 ( 3.006 0.000 1.779) 3.493 14.033 ( -2.755 0.000 -0.506) 2.801 14.072 ( -4.831 0.000 -1.156) 4.967 14.198 ( 3.134 0.000 -0.794) 3.233 14.201 ( -0.871 0.000 2.250) 2.413 14.241 ( 4.167 0.000 0.790) 4.241 14.311 ( 0.722 0.000 -1.157) 1.363 14.605 ( -1.296 0.000 1.036) 1.659 14.711 ( 1.366 0.000 -0.561) 1.477 14.975 ( -2.020 0.000 1.404) 2.460 15.058 ( -0.382 0.000 -1.361) 1.413 17.959 ( -4.638 0.000 -2.138) 5.107 17.972 ( -3.184 0.000 -3.476) 4.714 18.037 ( -2.838 0.000 -2.314) 3.662 18.038 ( -2.688 0.000 -1.903) 3.294 18.106 ( -0.414 0.000 0.514) 0.660 18.116 ( -0.098 0.000 0.711) 0.718 18.206 ( -0.573 0.000 -0.662) 0.876 18.227 ( 3.308 0.000 0.050) 3.309 18.292 ( 3.932 0.000 3.056) 4.980 18.320 ( 1.436 0.000 1.758) 2.270 18.390 ( 1.463 0.000 1.359) 1.997 18.392 ( 0.511 0.000 1.990) 2.054 19.028 ( 0.682 0.000 2.128) 2.235 19.059 ( 0.783 0.000 -1.706) 1.877 19.230 ( 0.207 0.000 -0.323) 0.383 19.241 ( 0.545 0.000 0.419) 0.687 20.042 ( -1.166 0.000 1.947) 2.270 20.103 ( 0.362 0.000 -3.561) 3.579 20.133 ( -0.519 0.000 5.815) 5.838 20.255 ( 1.772 0.000 -6.841) 7.066 20.631 ( -0.398 0.000 1.356) 1.413 20.655 ( 0.264 0.000 -1.390) 1.415 20.861 ( 0.252 0.000 0.477) 0.540 20.881 ( 0.436 0.000 -1.204) 1.280 21.456 ( 0.378 0.000 2.267) 2.298 21.474 ( 0.855 0.000 -1.418) 1.656 21.596 ( 0.163 0.000 -3.449) 3.453 21.604 ( 1.396 0.000 1.057) 1.751 21.700 ( -0.529 0.000 1.969) 2.039 21.725 ( -1.796 0.000 -5.473) 5.760 21.763 ( -0.381 0.000 1.593) 1.638 21.852 ( 1.707 0.000 -2.558) 3.075 24.800 ( -1.669 0.000 1.847) 2.489 24.809 ( -1.603 0.000 -0.913) 1.845 24.876 ( 0.849 0.000 -1.387) 1.626 24.923 ( -0.988 0.000 1.166) 1.528 24.942 ( 2.588 0.000 1.964) 3.249 25.020 ( 1.357 0.000 -0.741) 1.546 25.108 ( -1.330 0.000 0.279) 1.359 25.160 ( 0.016 0.000 0.524) 0.525 28.789 ( -0.078 0.000 0.630) 0.635 28.810 ( 0.087 0.000 -0.445) 0.454 28.823 ( 0.237 0.000 -0.745) 0.782 28.823 ( 0.301 0.000 0.239) 0.385 29.093 ( -0.095 0.000 0.052) 0.108 29.097 ( 0.144 0.000 -0.807) 0.820 29.104 ( -0.108 0.000 0.353) 0.370 29.121 ( 0.182 0.000 -1.007) 1.023 34.997 ( 3.927 0.000 5.325) 6.617 35.002 ( 3.500 0.000 -1.192) 3.697 35.154 ( -5.177 0.000 5.544) 7.586 35.374 ( 0.958 0.000 -4.889) 4.982 35.382 ( -3.269 0.000 -3.385) 4.706 35.608 ( 11.091 0.000 0.022) 11.091 35.788 ( -1.280 0.000 20.147) 20.188 35.888 ( -9.320 0.000 -20.150) 22.202 38.126 ( -0.920 0.000 2.576) 2.735 38.172 ( -0.003 0.000 0.023) 0.023 38.313 ( -0.199 0.000 2.670) 2.677 38.355 ( -1.168 0.000 -2.860) 3.089 38.395 ( -2.432 0.000 2.358) 3.387 38.409 ( 0.949 0.000 -3.971) 4.083 38.733 ( 1.157 0.000 -3.012) 3.226 38.734 ( 1.473 0.000 4.076) 4.334 39.026 ( -8.447 0.000 -3.192) 9.030 39.113 ( -7.316 0.000 -2.083) 7.607 39.300 ( -2.563 0.000 -2.689) 3.714 39.533 ( -10.173 0.000 -1.320) 10.258 39.747 ( 18.505 0.000 4.426) 19.027 39.836 ( 15.115 0.000 -1.443) 15.183 39.884 ( 25.235 0.000 -0.776) 25.247 40.163 ( 10.444 0.000 7.630) 12.934 40.974 ( -18.949 0.000 4.895) 19.571 41.005 ( -20.151 0.000 -5.438) 20.872 41.350 ( -15.748 0.000 0.001) 15.748 41.603 ( 1.485 0.000 -4.514) 4.752 41.609 ( 7.032 0.000 6.029) 9.263 41.969 ( -8.355 0.000 -14.758) 16.959 42.235 ( 2.931 0.000 16.792) 17.046 42.331 ( 13.463 0.000 -8.504) 15.924 ======================= Grid point 89 (50/57) ======================= q-point: ( 0.00 0.20 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 91 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.646 ( 4.884 9.860 10.516) 15.220 2.729 ( -10.924 1.229 -3.888) 11.660 2.945 ( -4.208 0.237 3.494) 5.475 3.060 ( -4.232 3.067 -0.827) 5.292 3.136 ( -4.919 -0.081 -11.155) 12.192 3.279 ( -0.944 7.132 -15.516) 17.103 3.497 ( -18.550 7.801 17.825) 26.883 3.670 ( -1.305 1.760 0.466) 2.240 3.828 ( -14.903 3.378 4.181) 15.843 3.884 ( 4.113 3.081 -0.158) 5.142 3.967 ( 8.065 1.734 7.444) 11.111 4.065 ( 8.473 5.145 2.793) 10.298 4.262 ( 2.722 -1.471 -2.163) 3.775 4.325 ( 5.753 2.256 -5.209) 8.082 4.575 ( 10.102 -5.298 10.393) 15.431 4.686 ( -8.632 -6.280 -1.307) 10.754 4.784 ( 1.237 -12.138 1.951) 12.356 4.808 ( 3.536 -6.263 -2.009) 7.468 4.917 ( -5.114 -0.098 2.987) 5.924 4.939 ( 4.611 -2.729 1.839) 5.664 5.060 ( -0.698 0.896 1.490) 1.874 5.091 ( 3.996 -2.321 -0.589) 4.659 5.199 ( -0.009 1.631 -0.989) 1.907 5.253 ( -1.867 -6.174 -3.629) 7.401 5.336 ( -3.863 3.055 4.446) 6.635 5.411 ( 2.070 3.321 -1.833) 4.321 5.476 ( 1.740 1.517 6.662) 7.051 5.480 ( -0.765 0.107 5.440) 5.495 5.552 ( 2.035 -0.949 -1.436) 2.666 5.604 ( -2.173 -2.453 -4.936) 5.925 5.721 ( -2.598 -0.622 4.154) 4.939 5.802 ( 0.067 -3.263 -0.646) 3.327 5.885 ( 4.727 -2.122 3.610) 6.315 5.940 ( -3.453 -6.410 0.321) 7.288 6.044 ( 7.305 -4.018 6.619) 10.645 6.085 ( -1.076 -3.185 4.969) 5.999 6.177 ( -3.509 -2.061 -1.496) 4.336 6.227 ( -4.729 -6.897 -1.653) 8.524 6.287 ( -1.336 -0.999 7.565) 7.747 6.318 ( 1.434 0.999 4.716) 5.029 6.375 ( 6.311 -1.940 7.002) 9.624 6.435 ( 3.887 -2.149 2.568) 5.131 6.476 ( 1.383 3.485 0.644) 3.804 6.579 ( -4.364 1.011 -3.645) 5.775 6.664 ( -0.861 1.420 6.558) 6.765 6.710 ( -0.157 0.387 1.338) 1.402 6.765 ( -1.552 -2.010 4.744) 5.381 6.843 ( 0.046 -2.735 2.619) 3.787 6.900 ( -4.484 1.155 6.433) 7.926 6.962 ( -1.666 4.682 1.239) 5.122 7.030 ( 0.211 -0.391 -4.627) 4.648 7.080 ( 1.229 0.689 -5.388) 5.569 7.157 ( 0.245 1.519 9.214) 9.342 7.287 ( -1.270 -4.259 3.899) 5.912 7.338 ( 2.350 -4.415 1.081) 5.117 7.407 ( -0.824 -0.546 -3.850) 3.974 7.608 ( 3.986 1.507 5.914) 7.289 7.628 ( -2.589 4.385 2.769) 5.796 7.706 ( 2.750 7.914 -3.671) 9.147 7.738 ( 1.462 3.826 -4.909) 6.393 7.789 ( -0.821 5.883 2.434) 6.419 7.838 ( -2.432 4.692 -1.392) 5.465 7.947 ( 1.881 2.291 6.784) 7.403 8.057 ( -6.108 2.180 -2.300) 6.881 8.127 ( 2.310 -3.376 4.186) 5.853 8.190 ( -4.374 3.987 -1.721) 6.164 8.233 ( 0.446 4.581 -2.056) 5.041 8.267 ( 1.336 -0.674 0.497) 1.577 8.337 ( 1.218 -0.915 -1.647) 2.244 8.394 ( 0.948 1.209 -2.456) 2.897 8.462 ( 3.621 0.076 2.866) 4.618 8.539 ( -5.362 0.434 -2.454) 5.913 8.545 ( 1.474 3.294 2.043) 4.147 8.642 ( -0.928 0.278 -4.073) 4.186 8.705 ( -5.785 -0.823 0.047) 5.844 8.719 ( 1.303 -0.952 -3.487) 3.843 8.774 ( 2.910 -1.343 0.507) 3.245 8.844 ( 0.504 0.931 -4.839) 4.953 8.986 ( 0.626 -0.184 -0.997) 1.192 9.052 ( -0.557 -0.502 -3.614) 3.691 9.134 ( -4.583 -3.895 -2.817) 6.642 9.154 ( 4.962 -2.772 -3.746) 6.807 9.296 ( -2.174 -1.088 2.029) 3.166 9.312 ( 3.361 -0.959 2.328) 4.200 9.391 ( 0.901 2.324 2.944) 3.858 9.496 ( -1.614 0.127 -5.816) 6.037 9.621 ( -3.919 2.107 0.893) 4.538 9.652 ( 6.224 2.835 -0.724) 6.878 9.841 ( 0.507 -4.277 5.377) 6.890 9.920 ( -1.169 -1.249 4.276) 4.606 9.967 ( 0.035 -3.629 -2.567) 4.445 10.075 ( -4.472 -2.355 -6.757) 8.438 10.219 ( -1.678 1.761 7.412) 7.801 10.322 ( 0.986 2.096 -0.121) 2.319 10.347 ( 0.036 4.757 5.392) 7.191 10.446 ( -2.905 7.238 -1.876) 8.022 10.639 ( -1.824 0.063 4.529) 4.883 10.674 ( 3.541 -1.932 -4.373) 5.949 10.695 ( -1.024 -1.839 -6.477) 6.810 10.790 ( 5.431 -0.820 -8.694) 10.284 10.935 ( -3.525 -7.913 7.059) 11.174 10.994 ( -2.395 -5.358 5.304) 7.910 11.052 ( -2.715 -0.627 0.273) 2.800 11.085 ( 2.275 -9.677 -3.352) 10.491 11.170 ( 2.377 4.091 6.364) 7.930 11.284 ( -0.261 -0.046 -2.139) 2.155 11.347 ( -5.492 2.594 -0.294) 6.081 11.423 ( 1.074 -1.235 -5.160) 5.413 11.465 ( 0.730 1.528 1.984) 2.608 11.564 ( 2.753 -0.596 -5.634) 6.299 11.672 ( 2.394 0.434 -0.758) 2.548 11.776 ( -0.665 -0.889 -7.933) 8.011 12.229 ( -0.061 4.745 1.854) 5.095 12.249 ( -0.164 5.927 0.155) 5.932 12.442 ( -1.286 3.408 0.807) 3.731 12.478 ( 2.683 3.635 -2.587) 5.207 12.746 ( -3.223 -5.181 2.790) 6.709 12.824 ( 3.250 -4.383 -3.699) 6.592 12.880 ( -0.500 0.063 -0.103) 0.515 12.897 ( 1.343 -0.279 -2.153) 2.553 13.598 ( 1.902 0.756 3.615) 4.155 13.649 ( 1.893 -0.582 -0.459) 2.033 13.675 ( -0.885 0.352 0.723) 1.196 13.691 ( 0.470 0.248 -0.823) 0.980 13.899 ( -2.074 0.177 2.322) 3.119 13.936 ( -2.917 -0.294 0.285) 2.946 14.021 ( 0.159 0.249 -0.205) 0.359 14.049 ( 1.547 -0.474 -0.380) 1.662 14.227 ( 1.411 0.319 2.723) 3.083 14.251 ( 0.923 0.118 0.602) 1.109 14.309 ( 1.307 -0.398 -1.257) 1.857 14.321 ( 1.461 -0.645 -1.322) 2.073 14.644 ( 1.989 1.708 3.235) 4.164 14.703 ( -0.876 0.421 -1.810) 2.055 14.974 ( 0.351 0.553 2.351) 2.441 15.017 ( -1.946 -0.440 -1.428) 2.453 17.878 ( -1.974 -0.045 0.594) 2.062 17.914 ( -1.118 0.202 -2.529) 2.773 17.934 ( -2.990 -1.693 -0.877) 3.546 17.950 ( -1.345 -1.084 -2.170) 2.774 18.109 ( -0.532 0.623 1.124) 1.391 18.125 ( 0.444 0.662 -0.352) 0.871 18.234 ( 0.223 0.563 -0.107) 0.614 18.247 ( -0.217 0.468 -1.194) 1.300 18.348 ( 0.295 0.712 2.023) 2.165 18.362 ( 1.334 0.504 0.803) 1.637 18.425 ( 1.011 -0.109 1.681) 1.965 18.430 ( 0.874 -0.296 1.122) 1.453 19.048 ( 0.120 0.299 1.061) 1.109 19.068 ( 0.568 -0.135 -0.992) 1.151 19.239 ( 0.281 -0.128 0.215) 0.377 19.248 ( 0.181 0.064 -0.523) 0.557 20.041 ( -0.395 0.807 1.736) 1.954 20.090 ( 0.349 -0.476 -3.166) 3.220 20.150 ( -0.991 1.263 4.164) 4.463 20.254 ( 1.570 -1.277 -5.787) 6.131 20.628 ( -0.398 0.153 1.095) 1.175 20.653 ( 0.334 -0.436 -1.241) 1.357 20.869 ( 0.018 0.226 0.188) 0.294 20.882 ( 0.150 -0.057 -1.032) 1.044 21.470 ( -0.072 0.434 2.108) 2.154 21.497 ( 0.632 0.277 -0.808) 1.062 21.602 ( 0.552 0.110 -1.168) 1.297 21.615 ( -1.987 0.659 -1.598) 2.633 21.670 ( 0.991 -0.123 -0.254) 1.031 21.705 ( -0.314 1.716 -3.386) 3.809 21.767 ( 0.621 -1.523 3.307) 3.693 21.841 ( 0.203 -1.743 -3.540) 3.951 24.776 ( -1.051 0.311 1.372) 1.756 24.795 ( 0.489 -0.188 -0.482) 0.712 24.894 ( -1.583 0.560 0.587) 1.779 24.905 ( 1.357 0.301 -0.600) 1.514 24.990 ( 0.945 -0.003 1.689) 1.936 25.016 ( -0.676 -0.563 -0.714) 1.132 25.125 ( 1.460 0.206 1.159) 1.875 25.140 ( -1.300 -0.140 -0.291) 1.339 28.797 ( 0.298 0.175 0.449) 0.567 28.806 ( -0.053 0.070 -0.481) 0.489 28.823 ( -0.143 -0.172 -0.067) 0.233 28.828 ( 0.351 -0.124 -0.491) 0.616 29.089 ( -0.358 0.131 0.265) 0.464 29.097 ( 0.136 -0.076 -0.313) 0.350 29.107 ( 0.115 0.190 -0.177) 0.284 29.118 ( 0.120 -0.098 -1.046) 1.057 35.053 ( -3.778 0.914 3.275) 5.083 35.104 ( 5.078 -0.236 -1.413) 5.276 35.179 ( 6.329 1.010 10.885) 12.631 35.286 ( 1.437 -2.411 3.152) 4.221 35.368 ( -6.264 2.052 -5.081) 8.323 35.456 ( -12.360 -0.805 -14.032) 18.716 35.792 ( -3.704 1.813 9.802) 10.634 35.977 ( 14.812 -2.759 -8.088) 17.100 38.143 ( 0.476 1.027 2.247) 2.516 38.180 ( -0.156 0.818 -1.189) 1.451 38.321 ( -2.068 1.178 2.426) 3.398 38.328 ( 0.517 -0.185 1.677) 1.764 38.363 ( -1.119 1.104 0.588) 1.678 38.410 ( 1.566 -1.429 -3.786) 4.339 38.711 ( -1.648 -1.340 1.801) 2.785 38.764 ( 3.172 -1.890 -3.571) 5.136 38.978 ( 0.786 1.014 0.117) 1.288 39.000 ( -1.812 1.157 -1.923) 2.884 39.320 ( -6.214 -0.296 -0.529) 6.243 39.327 ( 5.011 -0.545 -1.188) 5.178 40.071 ( -0.809 0.800 3.860) 4.024 40.142 ( 5.132 0.572 -2.016) 5.543 40.210 ( -6.146 -0.706 4.696) 7.767 40.334 ( 13.113 -2.457 -6.241) 14.729 40.659 ( -4.144 0.614 1.101) 4.332 40.686 ( 2.831 -0.199 -1.599) 3.258 41.248 ( 3.008 1.652 4.877) 5.963 41.358 ( -14.126 -0.891 -5.563) 15.208 41.727 ( -0.381 1.616 6.312) 6.527 41.830 ( -1.576 -0.584 -3.339) 3.738 42.281 ( -3.234 0.330 10.398) 10.894 42.504 ( 8.418 -4.457 -10.843) 14.433 ======================= Grid point 90 (51/57) ======================= q-point: ( 0.25 0.20 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.589 ( -2.530 5.480 6.668) 8.994 2.871 ( 11.032 2.687 11.832) 16.399 3.021 ( -1.643 1.205 7.374) 7.650 3.043 ( 5.612 1.349 9.502) 11.117 3.108 ( 7.593 4.893 8.866) 12.658 3.274 ( 3.097 11.724 -3.975) 12.761 3.332 ( -1.227 10.887 12.955) 16.967 3.466 ( -8.300 3.898 4.599) 10.259 3.701 ( -4.372 -3.231 5.072) 7.435 3.760 ( -7.009 0.014 1.070) 7.090 4.008 ( -10.740 2.538 4.208) 11.811 4.269 ( -8.701 8.455 -8.486) 14.805 4.388 ( 7.680 -5.600 -2.068) 9.728 4.429 ( 11.196 -6.235 -3.117) 13.189 4.571 ( 5.441 -5.417 -0.204) 7.680 4.678 ( -1.900 -9.483 1.553) 9.795 4.793 ( 0.663 -6.595 -0.529) 6.650 4.831 ( 1.176 -6.794 -5.255) 8.669 4.954 ( 3.285 1.920 4.591) 5.963 5.001 ( -1.773 3.804 -1.881) 4.599 5.059 ( -1.152 2.969 0.951) 3.323 5.132 ( 5.043 -4.950 -3.111) 7.721 5.196 ( -0.671 -1.135 2.453) 2.785 5.249 ( 0.777 -2.837 2.981) 4.188 5.342 ( 0.016 1.531 -1.615) 2.226 5.401 ( -0.516 -2.188 0.892) 2.419 5.457 ( -1.807 -2.762 -1.147) 3.495 5.499 ( 3.360 1.505 1.660) 4.038 5.635 ( -0.383 -1.006 0.440) 1.163 5.674 ( 8.665 2.227 -2.028) 9.173 5.714 ( 4.532 0.750 1.669) 4.888 5.798 ( 1.040 -2.336 0.580) 2.622 5.907 ( -0.725 -2.562 -1.332) 2.977 5.938 ( -6.229 -3.063 -0.622) 6.969 5.998 ( 1.602 -6.391 2.550) 7.064 6.150 ( 2.844 -3.247 2.997) 5.254 6.195 ( -3.191 -4.664 5.458) 7.857 6.211 ( -5.832 1.221 -3.820) 7.077 6.249 ( -1.204 -0.824 5.747) 5.929 6.286 ( 5.513 -4.149 5.449) 8.792 6.418 ( 0.919 -1.829 5.198) 5.586 6.449 ( -0.604 -3.245 -5.800) 6.673 6.520 ( -1.947 2.924 -1.559) 3.843 6.678 ( 0.554 2.885 -0.833) 3.053 6.695 ( 1.831 0.514 8.545) 8.754 6.757 ( 2.207 2.895 0.015) 3.640 6.791 ( 7.029 0.417 2.622) 7.514 6.838 ( -2.253 -0.745 5.271) 5.781 6.901 ( -2.136 2.517 -1.127) 3.489 6.907 ( -4.754 0.179 2.836) 5.538 7.046 ( -2.943 -2.380 2.416) 4.490 7.060 ( -0.364 -2.863 -0.297) 2.901 7.084 ( -15.624 -0.976 6.387) 16.908 7.188 ( -1.240 0.062 3.251) 3.480 7.265 ( -2.155 -1.406 -2.800) 3.803 7.380 ( -1.947 -1.691 1.810) 3.151 7.498 ( -9.171 10.031 -7.870) 15.706 7.521 ( -1.153 -1.491 0.887) 2.083 7.626 ( -5.077 5.178 -3.194) 7.924 7.695 ( -0.875 4.912 0.069) 4.990 7.797 ( 1.257 -1.264 0.803) 1.955 7.815 ( 0.001 3.548 -1.137) 3.726 7.976 ( -3.363 3.403 4.170) 6.346 7.989 ( -4.602 5.911 3.559) 8.293 8.064 ( -5.568 5.613 1.290) 8.011 8.189 ( -0.589 -4.284 1.234) 4.497 8.273 ( 0.171 1.730 -0.953) 1.983 8.300 ( 4.543 -0.874 2.191) 5.119 8.365 ( 3.197 -4.490 -2.846) 6.203 8.429 ( 0.786 2.033 2.644) 3.427 8.505 ( 1.119 -0.270 3.299) 3.494 8.562 ( -5.371 -1.400 1.749) 5.820 8.611 ( 9.871 3.713 -3.501) 11.112 8.657 ( 3.072 2.759 -5.457) 6.843 8.705 ( 1.715 0.207 1.117) 2.058 8.746 ( 1.895 -0.258 -0.126) 1.917 8.820 ( 7.580 -1.107 -1.709) 7.848 8.856 ( 0.571 0.306 -3.103) 3.170 8.979 ( -2.880 -1.335 -2.756) 4.204 9.023 ( 1.398 1.065 0.443) 1.812 9.058 ( 3.272 0.166 -5.501) 6.402 9.152 ( -3.532 0.232 -1.951) 4.042 9.227 ( -5.808 0.136 1.047) 5.903 9.334 ( -5.842 4.592 1.020) 7.500 9.420 ( 1.787 -1.555 2.512) 3.453 9.453 ( 1.152 1.114 -1.926) 2.506 9.538 ( -0.612 -3.901 0.705) 4.011 9.743 ( 0.576 -0.362 -3.312) 3.382 9.815 ( -4.206 -5.922 4.722) 8.663 9.910 ( -0.051 -3.016 0.097) 3.018 9.942 ( -1.433 -0.844 3.548) 3.918 10.032 ( -1.411 -2.214 2.136) 3.384 10.179 ( -0.467 0.158 2.725) 2.769 10.351 ( -0.957 7.938 -0.694) 8.025 10.366 ( -1.078 4.202 7.221) 8.424 10.412 ( 1.890 5.023 -0.504) 5.390 10.537 ( -4.388 0.684 -0.076) 4.441 10.606 ( -1.819 0.940 -7.780) 8.045 10.814 ( 4.401 -5.515 -0.961) 7.121 10.860 ( -0.584 -8.766 0.750) 8.817 10.984 ( 8.385 -0.206 -2.176) 8.665 11.014 ( -0.061 1.512 5.757) 5.953 11.044 ( 2.487 -6.869 2.458) 7.708 11.119 ( 0.327 -2.623 4.470) 5.193 11.263 ( 2.009 -5.780 -2.995) 6.813 11.271 ( -0.367 0.811 -1.543) 1.781 11.307 ( 4.544 3.749 1.522) 6.084 11.457 ( 2.035 2.309 -0.756) 3.169 11.497 ( 2.723 1.535 0.728) 3.209 11.597 ( -0.277 -3.022 -2.096) 3.688 11.686 ( 3.567 -0.657 -6.393) 7.350 11.794 ( 3.062 -0.314 -4.225) 5.227 12.255 ( 1.463 5.391 1.477) 5.778 12.259 ( 1.324 4.179 1.074) 4.514 12.401 ( -2.328 2.748 -0.930) 3.719 12.487 ( -1.164 5.277 -2.847) 6.107 12.697 ( -1.929 -3.255 3.491) 5.148 12.778 ( -4.050 0.379 -0.831) 4.152 12.848 ( 0.335 -3.961 -3.671) 5.411 12.990 ( 3.505 -2.749 -3.027) 5.385 13.522 ( -6.001 1.035 -1.364) 6.241 13.545 ( -4.813 0.639 -0.703) 4.906 13.720 ( 0.003 0.129 0.505) 0.521 13.752 ( 2.331 -0.333 -1.497) 2.791 13.916 ( 0.660 -0.444 4.183) 4.258 13.946 ( 0.013 -0.615 4.678) 4.718 14.000 ( 0.982 1.331 -2.190) 2.745 14.081 ( 2.726 -0.871 -1.158) 3.087 14.237 ( -2.317 -0.187 -1.359) 2.693 14.246 ( -0.680 -0.070 -0.496) 0.845 14.301 ( 0.311 0.373 -4.245) 4.272 14.326 ( -1.294 -0.229 -3.528) 3.765 14.643 ( -1.898 0.368 -1.385) 2.378 14.682 ( -0.336 0.570 1.032) 1.226 15.002 ( 1.272 0.218 0.552) 1.404 15.018 ( 1.524 0.398 1.934) 2.494 17.881 ( 1.502 -0.428 3.644) 3.965 17.927 ( 2.655 0.653 1.375) 3.061 17.931 ( 2.203 -2.032 4.024) 5.017 17.975 ( 3.304 -0.665 2.345) 4.106 18.115 ( 0.500 0.813 1.128) 1.478 18.141 ( 0.854 0.639 -0.319) 1.114 18.211 ( -1.426 -0.078 -0.120) 1.433 18.229 ( -1.631 0.220 -0.716) 1.794 18.342 ( -3.212 1.011 -0.897) 3.484 18.352 ( -0.117 1.305 -0.353) 1.357 18.421 ( -2.101 -0.410 -0.734) 2.263 18.433 ( -0.079 -0.467 -1.527) 1.599 19.039 ( -1.128 0.396 0.492) 1.293 19.066 ( -0.183 -0.255 -1.617) 1.648 19.232 ( -0.487 0.116 -0.400) 0.641 19.250 ( -0.079 -0.175 -0.686) 0.712 20.049 ( 0.335 0.618 1.893) 2.019 20.090 ( 0.871 -0.455 -2.728) 2.899 20.140 ( -1.483 1.439 4.091) 4.583 20.254 ( 0.905 -1.339 -6.083) 6.294 20.629 ( -0.016 0.324 1.135) 1.180 20.656 ( 0.369 -0.372 -1.085) 1.205 20.865 ( -0.414 0.154 0.225) 0.495 20.878 ( -0.079 -0.146 -1.042) 1.055 21.466 ( -0.667 1.096 0.879) 1.556 21.506 ( -0.052 0.280 -1.472) 1.499 21.563 ( -0.972 0.675 -0.123) 1.190 21.618 ( 0.034 -0.830 2.539) 2.671 21.666 ( 0.213 0.888 -3.331) 3.454 21.731 ( 2.586 0.795 -1.083) 2.914 21.777 ( -0.850 -2.000 1.621) 2.711 21.826 ( 0.028 -1.120 -3.638) 3.807 24.782 ( 1.111 0.277 1.743) 2.085 24.814 ( 0.995 -0.829 0.199) 1.310 24.868 ( -0.674 1.521 0.373) 1.705 24.936 ( 0.527 -0.315 -0.295) 0.681 24.977 ( -1.809 0.127 -1.156) 2.151 24.995 ( -0.932 -0.123 1.292) 1.598 25.120 ( -0.054 0.342 -0.381) 0.515 25.156 ( 0.593 -0.525 0.525) 0.950 28.803 ( 0.135 0.067 0.081) 0.171 28.805 ( 0.143 0.189 -0.531) 0.581 28.815 ( -0.549 -0.018 -0.048) 0.551 28.830 ( 0.089 -0.188 -0.646) 0.679 29.085 ( -0.040 0.170 0.454) 0.486 29.098 ( 0.025 -0.159 -0.200) 0.257 29.108 ( 0.077 0.149 -0.075) 0.184 29.117 ( 0.232 -0.086 -1.024) 1.053 34.985 ( -3.133 1.889 1.828) 4.090 35.132 ( -5.382 -0.081 -5.915) 7.997 35.220 ( -0.587 -3.046 -3.202) 4.459 35.246 ( -4.707 -2.334 0.062) 5.254 35.340 ( 1.834 1.478 7.592) 7.950 35.399 ( 7.300 -0.259 16.434) 17.985 35.735 ( -3.193 7.016 -0.237) 7.712 36.170 ( 8.070 -4.724 -19.197) 21.353 38.166 ( 0.967 0.414 0.285) 1.090 38.175 ( -0.518 0.598 0.306) 0.848 38.288 ( -1.107 1.143 2.894) 3.302 38.339 ( 0.360 -0.764 1.640) 1.845 38.373 ( 1.108 0.165 -2.003) 2.295 38.422 ( 0.397 -0.697 -0.523) 0.957 38.689 ( -0.206 0.517 1.178) 1.303 38.813 ( -0.392 -1.807 -3.606) 4.052 39.001 ( 7.886 1.153 -0.277) 7.974 39.090 ( 7.696 0.328 -0.068) 7.703 39.288 ( 3.093 1.872 0.457) 3.644 39.489 ( 8.823 -2.465 0.999) 9.215 39.779 ( -18.211 -1.633 -0.653) 18.295 39.847 ( -20.919 -1.894 -0.443) 21.009 39.937 ( -17.742 5.250 -4.502) 19.042 40.282 ( -12.868 -4.668 -7.262) 15.496 40.922 ( 19.950 2.887 2.759) 20.346 41.073 ( 20.703 -0.353 -3.881) 21.066 41.339 ( 15.052 0.900 3.352) 15.447 41.462 ( 8.379 -0.077 10.187) 13.190 41.690 ( -4.576 -0.820 8.883) 10.026 41.721 ( -7.583 0.282 -2.340) 7.941 42.175 ( -9.707 2.158 5.290) 11.264 42.526 ( -1.060 -5.772 -15.033) 16.138 ======================= Grid point 91 (52/57) ======================= q-point: (-0.50 0.20 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 91 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.708 ( 3.949 8.737 12.678) 15.895 2.781 ( -5.740 13.858 6.678) 16.419 3.189 ( 2.289 2.553 7.923) 8.633 3.280 ( 4.882 2.418 -2.528) 6.006 3.352 ( 13.453 0.595 14.757) 19.978 3.455 ( 0.766 0.650 8.927) 8.983 3.478 ( 11.225 3.451 9.534) 15.127 3.569 ( 9.223 4.866 3.327) 10.946 3.592 ( 4.617 2.962 2.431) 6.001 3.668 ( 0.857 1.322 -3.368) 3.718 3.749 ( -8.669 3.524 -9.333) 13.216 3.951 ( -13.714 9.618 -15.807) 23.031 4.398 ( -3.416 -15.460 12.408) 20.115 4.537 ( -1.885 -8.450 0.592) 8.678 4.612 ( -9.379 -4.846 6.810) 12.563 4.686 ( 1.547 -5.172 2.957) 6.155 4.751 ( -5.389 -5.585 0.537) 7.779 4.792 ( -1.788 -3.930 -6.646) 7.925 4.988 ( -1.558 -4.581 4.233) 6.429 5.014 ( -2.079 2.193 3.457) 4.592 5.023 ( -1.583 -1.568 1.996) 2.991 5.070 ( 0.635 0.315 -1.955) 2.079 5.250 ( 0.721 1.350 -0.945) 1.799 5.294 ( 2.999 1.338 2.951) 4.415 5.342 ( 4.002 0.332 -2.179) 4.569 5.386 ( -1.197 3.227 -1.930) 3.946 5.491 ( -4.168 -6.108 -0.508) 7.412 5.534 ( 2.261 -5.267 -4.285) 7.157 5.627 ( -2.242 -0.568 1.970) 3.038 5.700 ( -1.189 3.408 -1.976) 4.115 5.799 ( -0.855 1.275 6.469) 6.649 5.856 ( -3.309 1.485 0.097) 3.628 5.901 ( 1.607 -1.334 2.586) 3.324 5.937 ( 3.814 -0.745 -1.705) 4.244 6.061 ( 2.815 -5.703 1.429) 6.519 6.100 ( -3.946 -9.413 -2.195) 10.440 6.167 ( 4.337 -1.081 4.860) 6.602 6.231 ( 0.225 -4.375 6.132) 7.536 6.278 ( -7.163 0.211 0.693) 7.199 6.318 ( -3.165 -0.860 7.922) 8.574 6.378 ( 5.132 1.980 -0.664) 5.541 6.472 ( -5.663 3.671 -7.224) 9.886 6.480 ( -2.139 -2.130 3.274) 4.453 6.540 ( -4.917 -3.226 -0.465) 5.900 6.572 ( -4.377 1.099 9.317) 10.353 6.727 ( -4.247 -0.125 4.357) 6.086 6.765 ( 4.755 -0.842 -5.651) 7.433 6.817 ( 2.290 -2.631 -3.154) 4.703 6.906 ( -0.911 -0.646 2.798) 3.013 6.940 ( 2.919 0.432 1.270) 3.212 6.982 ( -0.506 -0.786 3.996) 4.104 7.016 ( 0.260 0.003 -0.132) 0.292 7.144 ( 1.448 0.228 3.415) 3.716 7.179 ( -2.322 7.417 4.424) 8.943 7.265 ( 1.226 -0.265 0.798) 1.486 7.285 ( -2.874 3.669 -1.632) 4.938 7.412 ( 0.828 2.434 1.489) 2.971 7.518 ( -2.473 2.162 -6.063) 6.896 7.631 ( 1.039 4.011 0.142) 4.146 7.693 ( 4.436 4.925 -0.135) 6.630 7.739 ( 0.200 0.306 0.488) 0.610 7.834 ( -5.473 2.065 -3.834) 6.993 7.882 ( -1.021 0.299 0.532) 1.190 7.922 ( 2.757 1.576 -2.146) 3.833 8.059 ( -0.278 0.565 9.333) 9.354 8.196 ( 2.140 -4.052 1.120) 4.717 8.278 ( -0.282 -2.371 3.216) 4.006 8.378 ( 1.852 -4.013 -4.798) 6.523 8.414 ( 1.117 -1.237 2.578) 3.070 8.439 ( -3.089 6.262 4.953) 8.561 8.498 ( 1.591 -1.129 -1.297) 2.342 8.514 ( -2.471 1.753 1.403) 3.339 8.659 ( 0.889 1.816 -1.198) 2.351 8.703 ( 2.130 2.601 -0.383) 3.384 8.738 ( 2.354 1.791 -7.534) 8.094 8.810 ( 3.685 -0.465 -6.171) 7.202 8.853 ( 1.625 3.609 0.240) 3.965 8.919 ( -2.428 4.266 -3.640) 6.111 8.991 ( 1.441 -0.306 -0.676) 1.621 9.029 ( -0.607 -1.674 1.728) 2.481 9.045 ( -5.114 1.339 -3.292) 6.228 9.105 ( 1.698 -0.848 -3.821) 4.267 9.171 ( 3.093 5.205 2.321) 6.484 9.227 ( -0.477 4.781 -2.056) 5.226 9.448 ( 0.334 -2.220 3.294) 3.986 9.506 ( -1.545 -3.242 -1.738) 3.990 9.562 ( 3.587 -3.922 5.920) 7.956 9.663 ( -4.192 -5.101 -3.860) 7.648 9.813 ( 1.429 -3.325 5.649) 6.709 9.885 ( -2.678 -4.558 -0.243) 5.292 9.950 ( 0.891 -1.905 4.195) 4.693 10.033 ( 2.593 -1.759 -0.431) 3.163 10.240 ( 3.465 -0.336 2.684) 4.396 10.279 ( -4.943 5.909 -1.268) 7.808 10.374 ( -1.089 1.940 3.976) 4.556 10.448 ( 1.750 5.868 -0.834) 6.180 10.489 ( 0.258 4.520 -0.174) 4.531 10.568 ( 1.076 1.882 -7.071) 7.396 10.830 ( -1.101 -7.434 3.274) 8.198 10.881 ( 1.843 -7.432 -3.839) 8.566 11.019 ( -1.726 0.813 3.681) 4.146 11.089 ( 2.194 3.533 3.873) 5.683 11.110 ( 0.151 -8.603 5.775) 10.363 11.118 ( -2.269 0.615 0.838) 2.496 11.269 ( 0.561 -2.164 -6.269) 6.656 11.272 ( 1.041 -4.244 -4.835) 6.517 11.401 ( 1.023 3.184 4.992) 6.009 11.479 ( 0.892 3.669 -1.501) 4.063 11.551 ( 0.118 0.794 1.779) 1.952 11.566 ( -0.638 -1.850 -0.004) 1.957 11.772 ( 2.396 -4.185 -3.629) 6.036 11.782 ( -0.213 -1.735 -6.209) 6.450 12.288 ( -0.771 2.828 3.871) 4.856 12.311 ( 2.469 7.508 3.124) 8.498 12.363 ( -0.810 3.526 -2.120) 4.193 12.418 ( -1.494 5.870 -5.536) 8.206 12.687 ( -0.899 -0.372 3.391) 3.527 12.747 ( 2.194 -2.156 -2.245) 3.808 12.869 ( 2.357 -3.442 1.262) 4.358 12.955 ( -3.893 -3.548 -6.668) 8.497 13.445 ( -0.784 1.435 0.117) 1.639 13.464 ( -1.610 1.159 -1.734) 2.635 13.719 ( -0.307 0.174 3.280) 3.299 13.771 ( 0.309 -0.729 -1.537) 1.729 13.921 ( -1.493 -0.436 2.795) 3.199 13.929 ( 0.159 -0.311 2.384) 2.409 14.075 ( 3.758 0.420 0.364) 3.799 14.122 ( -0.402 -0.400 -2.695) 2.754 14.170 ( -2.000 0.938 -0.557) 2.278 14.211 ( -0.599 0.856 -3.499) 3.651 14.255 ( -3.518 -0.351 -1.204) 3.735 14.292 ( 0.782 -0.700 -3.833) 3.975 14.645 ( 1.193 -0.877 0.880) 1.722 14.657 ( -1.560 -0.656 -0.294) 1.718 15.024 ( -0.918 1.169 1.589) 2.176 15.047 ( 1.701 0.557 -0.761) 1.945 17.960 ( 3.432 -1.090 4.102) 5.458 17.993 ( 1.005 -1.228 1.300) 2.052 18.025 ( 4.750 -0.078 4.212) 6.349 18.072 ( 2.987 -0.759 2.449) 3.936 18.094 ( -2.604 0.972 -0.486) 2.822 18.126 ( -2.247 0.435 -0.892) 2.456 18.209 ( 2.781 0.865 1.984) 3.524 18.230 ( -0.513 0.115 0.231) 0.574 18.254 ( -1.049 0.729 -0.620) 1.420 18.301 ( -4.841 -0.077 -3.156) 5.779 18.386 ( -0.107 0.583 -0.027) 0.593 18.413 ( -0.976 0.302 -2.208) 2.433 19.020 ( -0.673 0.315 1.245) 1.450 19.054 ( -0.039 -0.480 -1.889) 1.950 19.228 ( 0.142 0.062 -0.014) 0.156 19.240 ( -0.257 0.020 -1.045) 1.077 20.060 ( -0.260 0.557 1.351) 1.484 20.099 ( 0.828 -0.472 -2.410) 2.591 20.133 ( -0.741 1.439 4.453) 4.738 20.244 ( 0.824 -1.303 -6.134) 6.325 20.634 ( -0.022 0.426 1.067) 1.149 20.656 ( 0.120 -0.144 -1.054) 1.071 20.859 ( -0.140 0.127 0.328) 0.378 20.875 ( 0.300 -0.256 -1.095) 1.164 21.459 ( -0.374 1.333 1.065) 1.747 21.485 ( -0.422 0.884 -1.704) 1.965 21.578 ( 1.309 0.755 1.226) 1.946 21.619 ( -0.341 0.492 -0.603) 0.850 21.673 ( 0.907 -0.836 0.635) 1.387 21.742 ( -1.066 -2.115 -2.640) 3.547 21.782 ( 0.756 -0.131 -0.043) 0.769 21.815 ( 0.734 -0.737 -3.089) 3.260 24.815 ( 0.068 0.254 1.862) 1.880 24.839 ( 0.964 -0.517 0.241) 1.120 24.865 ( 0.944 0.641 0.787) 1.385 24.890 ( -2.310 -0.174 -1.094) 2.561 24.971 ( -1.768 0.635 0.988) 2.123 24.986 ( 1.654 0.203 -0.554) 1.756 25.136 ( 1.277 -0.164 0.402) 1.349 25.145 ( -1.481 -0.372 -0.375) 1.573 28.797 ( -0.655 0.129 0.309) 0.735 28.806 ( 0.265 0.077 -0.363) 0.456 28.814 ( 0.344 0.031 0.083) 0.355 28.826 ( -0.113 -0.124 -0.887) 0.902 29.090 ( 0.252 0.068 0.270) 0.376 29.097 ( -0.007 -0.129 -0.272) 0.301 29.108 ( -0.079 0.196 -0.062) 0.220 29.119 ( 0.286 -0.106 -0.960) 1.008 34.959 ( 0.037 2.021 2.060) 2.886 35.009 ( -2.405 1.338 -2.822) 3.941 35.182 ( -2.557 -3.874 3.337) 5.717 35.238 ( 1.333 -6.781 -1.637) 7.102 35.425 ( 3.708 3.474 10.028) 11.242 35.572 ( 1.927 3.043 6.128) 7.108 35.699 ( 0.514 5.405 6.866) 8.753 36.120 ( -3.891 -4.169 -23.642) 24.320 38.154 ( -1.580 1.171 1.882) 2.723 38.182 ( 0.673 1.088 -0.566) 1.399 38.298 ( 0.264 -0.101 2.491) 2.507 38.360 ( 0.792 -1.703 -2.136) 2.844 38.386 ( 1.375 -0.589 0.805) 1.699 38.407 ( -1.634 -1.921 -0.314) 2.541 38.711 ( 1.006 2.340 2.027) 3.255 38.762 ( -1.601 0.771 -2.757) 3.280 39.224 ( 3.647 0.521 -0.245) 3.692 39.240 ( 0.212 0.722 -1.906) 2.049 39.392 ( -9.398 -1.472 -0.336) 9.518 39.402 ( 11.317 -2.666 -1.373) 11.707 39.555 ( 4.617 2.687 0.803) 5.402 39.598 ( -10.088 4.418 -3.169) 11.460 39.829 ( 12.894 -3.631 4.389) 14.096 39.921 ( -16.276 -3.999 -4.340) 17.313 41.235 ( -1.211 3.027 6.260) 7.058 41.345 ( 1.945 1.210 -3.951) 4.567 41.458 ( -0.178 1.866 3.048) 3.578 41.494 ( -1.957 -0.462 -0.191) 2.019 41.710 ( -7.960 2.110 5.883) 10.120 41.799 ( 20.918 -2.065 -4.015) 21.400 42.061 ( 1.546 -0.727 10.818) 10.952 42.347 ( -8.984 -6.198 -15.903) 19.288 ======================= Grid point 92 (53/57) ======================= q-point: (-0.25 0.20 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.598 ( -4.759 13.507 9.758) 17.329 2.996 ( -1.904 5.375 1.204) 5.828 3.084 ( -5.285 4.424 -0.865) 6.946 3.135 ( -9.664 0.065 -7.848) 12.450 3.370 ( -10.502 -2.843 -15.475) 18.917 3.453 ( -8.037 1.734 -16.831) 18.732 3.509 ( 12.051 4.434 6.126) 14.227 3.646 ( 0.913 5.757 -8.231) 10.086 3.721 ( 8.709 3.795 2.196) 9.750 3.767 ( 2.849 1.306 -0.503) 3.174 3.977 ( 12.899 5.639 6.586) 15.542 4.041 ( 15.201 7.550 12.384) 21.010 4.224 ( -14.086 3.878 5.322) 15.549 4.346 ( -17.344 -0.342 7.265) 18.807 4.441 ( -4.124 -11.974 14.029) 18.899 4.706 ( 1.625 -8.073 0.909) 8.285 4.753 ( 2.937 -9.245 0.634) 9.721 4.794 ( 3.190 -7.233 3.674) 8.717 4.904 ( -5.625 -7.618 6.425) 11.443 4.987 ( -2.242 0.059 1.849) 2.906 5.012 ( -0.327 -2.264 -1.614) 2.800 5.106 ( -1.047 2.550 0.727) 2.850 5.251 ( -0.105 -2.392 2.006) 3.123 5.286 ( -5.044 1.008 -3.742) 6.360 5.331 ( 2.558 -2.102 -1.026) 3.466 5.412 ( -2.262 1.738 1.631) 3.286 5.458 ( 2.574 -2.209 -0.199) 3.398 5.511 ( -1.519 -2.446 0.779) 2.982 5.598 ( -10.490 -0.630 5.222) 11.735 5.630 ( 3.328 5.685 -0.162) 6.590 5.748 ( -0.943 -2.812 1.694) 3.415 5.820 ( -6.308 -3.516 -2.461) 7.629 5.868 ( 1.941 -1.756 1.714) 3.129 5.901 ( -1.864 0.052 -1.036) 2.133 6.033 ( -0.146 -9.670 3.325) 10.227 6.083 ( -3.185 1.092 4.660) 5.749 6.164 ( -1.950 -3.214 0.906) 3.867 6.228 ( -0.277 -2.637 5.224) 5.858 6.239 ( 2.145 -0.386 5.384) 5.808 6.315 ( -1.193 -0.235 4.863) 5.012 6.367 ( -3.685 -2.333 0.190) 4.365 6.416 ( -0.124 1.492 4.983) 5.203 6.465 ( -3.305 -2.336 2.317) 4.664 6.613 ( 0.024 0.699 5.402) 5.448 6.654 ( 1.337 -1.894 5.808) 6.253 6.716 ( 0.803 -0.747 0.874) 1.403 6.782 ( 6.866 2.710 5.897) 9.447 6.866 ( -1.775 -1.595 0.036) 2.386 6.933 ( -6.928 -0.659 -3.245) 7.679 6.974 ( 6.885 -0.077 -1.275) 7.003 7.033 ( -0.742 0.519 1.426) 1.689 7.086 ( 1.195 -0.456 0.822) 1.520 7.141 ( -0.849 6.338 3.956) 7.519 7.189 ( 8.437 -2.185 4.389) 9.758 7.265 ( 4.910 2.878 -3.594) 6.731 7.358 ( 4.066 -0.189 4.553) 6.107 7.394 ( 4.281 5.627 -4.085) 8.165 7.522 ( 2.252 2.460 3.039) 4.512 7.643 ( 2.188 1.571 -2.213) 3.486 7.706 ( 1.769 2.928 -1.173) 3.616 7.799 ( 1.320 1.621 -2.009) 2.900 7.806 ( 1.860 0.976 -0.569) 2.176 7.946 ( 4.158 3.407 2.383) 5.880 8.017 ( 7.855 3.936 -0.483) 8.799 8.068 ( -2.132 -2.353 7.068) 7.748 8.223 ( -1.153 -1.127 -1.940) 2.523 8.276 ( -1.048 -1.918 -0.264) 2.201 8.336 ( -3.495 1.454 -4.356) 5.771 8.388 ( 0.313 2.884 -0.366) 2.924 8.410 ( -4.694 -1.457 -0.994) 5.014 8.475 ( -0.981 4.975 4.049) 6.489 8.560 ( -1.139 -0.659 0.834) 1.558 8.655 ( 2.608 2.090 -1.996) 3.893 8.680 ( -2.572 -0.842 -6.034) 6.613 8.746 ( -1.327 -0.771 -6.161) 6.349 8.774 ( -8.956 2.919 0.924) 9.465 8.832 ( -2.889 1.167 -2.778) 4.174 8.856 ( -2.391 2.582 -2.221) 4.161 8.957 ( 8.765 0.304 -2.672) 9.169 9.023 ( -0.468 -1.202 -2.168) 2.523 9.060 ( 0.890 -2.108 -0.030) 2.288 9.129 ( 3.432 0.757 -1.487) 3.816 9.238 ( 4.830 0.750 -0.481) 4.912 9.354 ( 3.102 2.824 -0.704) 4.253 9.418 ( -2.712 1.389 0.639) 3.113 9.427 ( -0.371 -1.875 1.913) 2.704 9.585 ( -0.983 -5.317 -2.499) 5.957 9.670 ( 1.952 -0.917 3.507) 4.117 9.818 ( -1.770 -1.304 2.382) 3.242 9.900 ( 2.109 -3.616 3.016) 5.159 9.976 ( 0.368 -3.171 -0.180) 3.198 10.109 ( 3.267 -4.599 -0.449) 5.659 10.202 ( -0.171 2.675 -1.619) 3.132 10.307 ( 0.977 4.275 5.542) 7.067 10.359 ( -1.886 2.358 0.545) 3.069 10.490 ( 0.044 6.853 -2.533) 7.307 10.498 ( 4.163 1.762 -0.736) 4.580 10.611 ( 5.969 -1.074 -6.070) 8.580 10.814 ( -2.402 -2.962 0.630) 3.865 10.848 ( -4.987 -3.328 -2.505) 6.497 10.986 ( -2.742 -5.147 3.171) 6.638 11.042 ( -3.502 -3.043 4.424) 6.410 11.085 ( -3.171 -8.479 -2.007) 9.273 11.137 ( 0.281 3.689 5.446) 6.584 11.169 ( -6.680 -3.095 -4.049) 8.403 11.302 ( 1.499 3.419 -3.221) 4.930 11.389 ( -0.650 -1.072 1.456) 1.922 11.451 ( -3.132 2.926 -1.131) 4.433 11.524 ( -3.792 -1.145 1.703) 4.312 11.556 ( -0.282 1.037 -1.419) 1.780 11.666 ( -2.329 -0.741 -7.538) 7.924 11.818 ( 0.543 -3.604 -4.956) 6.152 12.260 ( -3.770 5.253 0.414) 6.479 12.264 ( -1.797 5.745 1.696) 6.254 12.406 ( 3.930 4.698 -0.725) 6.168 12.445 ( 1.965 3.547 -0.683) 4.112 12.718 ( 3.002 -2.044 1.895) 4.096 12.809 ( 4.219 -1.927 -3.391) 5.746 12.834 ( -3.136 -3.896 -2.108) 5.428 12.938 ( 0.269 -1.389 1.061) 1.769 13.487 ( 4.116 1.020 1.577) 4.524 13.504 ( 5.985 0.689 2.365) 6.472 13.717 ( -1.620 0.101 2.006) 2.580 13.750 ( -1.863 -0.676 -1.698) 2.610 13.934 ( 0.323 -0.278 2.730) 2.763 13.967 ( 2.958 0.025 2.227) 3.703 14.030 ( -4.331 -0.093 -2.140) 4.832 14.066 ( -4.208 -0.594 -1.121) 4.395 14.199 ( 1.861 0.451 -0.446) 1.966 14.213 ( 0.777 0.808 2.197) 2.467 14.245 ( 3.604 0.545 0.516) 3.681 14.305 ( 1.036 -0.689 -0.853) 1.509 14.611 ( -0.727 0.600 1.064) 1.422 14.694 ( 1.587 -1.661 0.281) 2.314 14.993 ( -2.055 1.772 0.730) 2.810 15.057 ( -0.686 -0.177 -1.200) 1.393 17.950 ( -3.807 -0.611 -2.516) 4.605 17.981 ( -3.806 0.671 -3.016) 4.902 18.000 ( -1.464 -2.458 -1.529) 3.244 18.033 ( -4.138 -0.996 -2.833) 5.113 18.127 ( -0.454 0.956 0.689) 1.263 18.129 ( -0.444 1.653 0.495) 1.781 18.205 ( -0.025 -0.052 0.015) 0.060 18.223 ( 3.423 -0.387 0.501) 3.481 18.303 ( 3.541 1.065 2.637) 4.542 18.323 ( 1.724 0.310 2.287) 2.880 18.390 ( 1.194 0.131 1.850) 2.206 18.399 ( 0.325 0.427 0.531) 0.755 19.030 ( 0.722 0.218 1.910) 2.053 19.055 ( 0.810 -0.385 -1.171) 1.475 19.230 ( 0.255 0.042 -0.148) 0.298 19.243 ( 0.539 0.061 -0.221) 0.586 20.050 ( -0.972 0.802 1.337) 1.837 20.099 ( 0.245 -0.501 -2.926) 2.979 20.144 ( -0.279 1.209 4.417) 4.588 20.244 ( 1.561 -1.237 -5.794) 6.127 20.633 ( -0.446 0.237 1.022) 1.140 20.653 ( 0.113 -0.223 -1.205) 1.231 20.863 ( 0.326 0.223 0.284) 0.486 20.879 ( 0.497 -0.157 -1.078) 1.198 21.460 ( 0.012 0.633 1.518) 1.645 21.486 ( 0.709 0.993 -0.390) 1.281 21.604 ( 0.079 0.817 -3.063) 3.171 21.614 ( 1.451 1.159 0.925) 2.075 21.681 ( -1.041 -1.615 -0.637) 2.024 21.723 ( 0.557 -0.831 -0.595) 1.164 21.759 ( -1.423 -0.006 -1.191) 1.856 21.838 ( 1.492 -1.485 -2.458) 3.236 24.801 ( -1.612 0.159 1.187) 2.008 24.810 ( -1.618 0.029 -0.581) 1.719 24.879 ( 0.860 0.386 -0.657) 1.149 24.924 ( 0.645 -0.257 1.033) 1.244 24.947 ( 0.865 0.788 1.580) 1.966 25.013 ( 0.890 -0.726 -0.470) 1.241 25.114 ( -0.870 0.598 0.167) 1.069 25.156 ( 0.062 -0.463 0.423) 0.630 28.791 ( -0.076 0.222 0.654) 0.694 28.809 ( 0.028 -0.108 -0.249) 0.273 28.822 ( 0.341 -0.090 -0.077) 0.361 28.823 ( 0.187 -0.018 -0.640) 0.667 29.093 ( -0.055 0.023 0.025) 0.064 29.096 ( 0.064 -0.037 -0.323) 0.331 29.106 ( -0.016 0.247 -0.156) 0.293 29.120 ( 0.182 -0.123 -0.985) 1.010 35.011 ( 3.553 1.464 3.775) 5.386 35.016 ( 3.346 1.543 0.183) 3.689 35.141 ( -3.314 -1.303 4.560) 5.786 35.256 ( 1.085 -6.316 -0.765) 6.454 35.501 ( -3.349 6.307 -6.342) 9.551 35.617 ( 7.600 0.921 0.462) 7.669 35.781 ( -0.586 -0.605 17.663) 17.683 35.870 ( -8.276 -1.912 -18.048) 19.946 38.137 ( -0.827 1.254 2.236) 2.694 38.188 ( -0.043 1.469 -0.204) 1.483 38.313 ( 0.269 -0.383 2.200) 2.249 38.343 ( -1.338 -0.609 -0.378) 1.518 38.386 ( 0.393 -0.861 -2.932) 3.081 38.406 ( -0.462 -0.646 0.679) 1.044 38.710 ( -0.315 -0.341 -0.005) 0.464 38.762 ( 0.538 0.715 0.125) 0.904 39.024 ( -7.399 0.207 -2.539) 7.825 39.110 ( -7.342 -0.684 -1.864) 7.606 39.321 ( -3.450 2.415 -2.728) 5.017 39.516 ( -10.195 -1.920 -1.592) 10.496 39.751 ( 19.036 0.508 2.389) 19.192 39.852 ( 18.331 0.043 -0.990) 18.358 39.872 ( 21.589 0.675 1.333) 21.641 40.129 ( 11.196 -3.609 7.278) 13.833 40.952 ( -19.322 -0.595 1.801) 19.415 41.026 ( -21.080 0.347 -0.974) 21.105 41.400 ( -15.159 5.492 -2.338) 16.292 41.615 ( -0.102 1.157 -3.421) 3.613 41.631 ( 7.254 2.330 4.745) 8.976 41.915 ( -7.256 -5.629 -12.672) 15.650 42.218 ( 4.024 -1.530 14.471) 15.098 42.300 ( 13.033 -3.219 -6.747) 15.025 ======================= Grid point 93 (54/57) ======================= q-point: ( 0.00 0.40 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 91 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.741 ( -3.857 1.453 -2.452) 4.796 2.755 ( -5.303 0.392 -4.350) 6.870 3.013 ( -4.613 4.696 2.513) 7.046 3.073 ( -4.857 -2.021 -5.404) 7.542 3.218 ( -2.671 9.481 3.414) 10.425 3.350 ( -1.450 -2.108 -3.570) 4.392 3.643 ( -6.641 6.664 7.133) 11.807 3.708 ( -2.543 0.873 -1.332) 3.000 3.936 ( -11.232 9.080 6.270) 15.745 3.997 ( -5.141 11.294 3.775) 12.971 4.078 ( 5.497 8.210 3.574) 10.507 4.148 ( -3.816 -9.223 3.815) 10.685 4.208 ( 6.688 8.637 4.056) 11.652 4.312 ( 3.594 -4.569 -0.689) 5.854 4.376 ( -0.969 -16.075 3.909) 16.572 4.471 ( 4.102 -15.701 0.113) 16.229 4.669 ( 6.124 2.374 -1.050) 6.651 4.715 ( 1.439 -0.239 -6.312) 6.478 4.869 ( 2.221 -2.810 5.624) 6.668 4.930 ( 4.800 -5.854 1.488) 7.715 5.039 ( 3.138 0.291 2.470) 4.005 5.092 ( 2.961 -3.290 1.936) 4.831 5.153 ( -1.328 4.124 -4.028) 5.916 5.216 ( -3.578 -1.489 -4.454) 5.904 5.410 ( -0.615 2.709 3.572) 4.525 5.435 ( -0.833 2.104 0.977) 2.465 5.467 ( -1.912 -2.323 4.192) 5.160 5.501 ( 1.265 -5.509 -1.166) 5.772 5.539 ( 0.926 5.892 5.197) 7.911 5.604 ( 2.520 2.138 -1.193) 3.514 5.741 ( 1.687 2.616 3.163) 4.438 5.780 ( -4.503 -0.848 1.396) 4.790 5.801 ( 1.008 -5.124 1.317) 5.386 5.820 ( -1.184 -4.899 0.693) 5.087 5.974 ( 4.314 -1.977 6.380) 7.951 6.015 ( 1.014 -4.532 3.113) 5.591 6.115 ( -4.576 -2.506 -0.471) 5.238 6.126 ( -4.452 -2.671 -2.219) 5.646 6.284 ( 0.647 0.276 7.510) 7.543 6.307 ( 3.508 -2.260 5.286) 6.735 6.383 ( 1.980 2.156 4.632) 5.479 6.409 ( 0.579 -0.849 2.426) 2.634 6.545 ( 2.324 3.236 1.496) 4.255 6.582 ( -0.478 -0.846 -0.425) 1.061 6.699 ( 0.745 1.809 6.240) 6.539 6.715 ( 1.114 -0.363 5.562) 5.684 6.767 ( -2.991 1.219 2.512) 4.092 6.789 ( -1.795 -1.580 2.928) 3.781 6.908 ( -2.128 1.487 4.040) 4.802 6.976 ( -2.994 -3.840 0.212) 4.874 7.032 ( 0.846 1.115 -3.718) 3.973 7.061 ( -0.163 -2.046 -3.774) 4.296 7.183 ( -1.246 1.476 7.413) 7.660 7.218 ( -1.991 -2.810 4.973) 6.049 7.334 ( -1.274 3.322 0.550) 3.601 7.391 ( -1.444 -2.322 -4.380) 5.163 7.668 ( 3.064 4.497 5.886) 8.016 7.699 ( -1.769 1.917 4.577) 5.268 7.815 ( 0.331 2.864 -2.214) 3.635 7.822 ( 7.556 2.453 -2.848) 8.439 7.848 ( 0.611 2.917 2.842) 4.118 7.903 ( -2.647 0.225 -2.422) 3.595 8.012 ( 3.421 4.523 1.054) 5.768 8.057 ( -1.647 -1.788 -1.003) 2.630 8.133 ( 1.128 3.360 -1.098) 3.711 8.180 ( 0.338 -3.407 -3.561) 4.940 8.223 ( -1.367 0.527 0.421) 1.524 8.296 ( -2.893 -3.214 -3.436) 5.522 8.356 ( 0.295 3.076 1.440) 3.409 8.407 ( 3.827 -0.753 2.900) 4.861 8.479 ( 0.723 2.632 -4.700) 5.435 8.521 ( -5.963 -1.713 -3.282) 7.019 8.647 ( 2.292 2.320 1.458) 3.573 8.654 ( -0.108 -0.304 1.350) 1.388 8.690 ( -4.024 3.990 2.092) 6.041 8.713 ( -2.369 0.236 0.432) 2.420 8.818 ( -2.177 5.277 -2.988) 6.443 8.863 ( 1.656 1.077 -5.158) 5.523 8.968 ( 0.557 -1.525 -0.905) 1.859 9.023 ( -3.173 -7.143 -4.198) 8.872 9.045 ( -0.621 -0.369 -0.854) 1.119 9.081 ( 4.930 -4.190 -3.662) 7.434 9.295 ( -1.641 0.591 3.622) 4.020 9.303 ( 1.573 -0.232 4.214) 4.504 9.428 ( 1.798 1.977 -0.732) 2.770 9.469 ( 0.238 -2.433 -3.923) 4.622 9.657 ( -2.584 1.623 -0.160) 3.056 9.680 ( 3.723 -0.421 -1.136) 3.915 9.802 ( -0.152 0.995 -0.401) 1.083 9.866 ( -1.262 -5.308 -4.941) 7.360 9.952 ( -0.269 3.823 7.968) 8.842 10.026 ( -1.938 -3.552 3.056) 5.071 10.296 ( -2.612 5.467 3.573) 7.034 10.355 ( 1.701 -0.040 0.415) 1.752 10.448 ( 0.317 6.898 3.088) 7.564 10.540 ( 0.214 0.216 -4.425) 4.435 10.619 ( 2.049 -1.303 1.174) 2.697 10.643 ( -2.828 -2.728 -2.482) 4.647 10.671 ( 1.570 -0.354 -1.296) 2.066 10.715 ( -1.746 -4.004 -1.850) 4.743 10.851 ( -1.557 -1.081 -0.228) 1.909 10.892 ( -2.513 -4.837 2.957) 6.201 10.959 ( 2.868 -1.453 -4.344) 5.404 11.006 ( 1.679 -4.362 -3.780) 6.011 11.261 ( -0.108 4.738 2.009) 5.148 11.289 ( -1.385 1.109 0.699) 1.907 11.369 ( -5.695 -0.629 3.439) 6.683 11.391 ( 2.187 -1.922 1.364) 3.215 11.528 ( 1.871 3.382 -1.953) 4.331 11.562 ( 1.313 0.380 -5.710) 5.872 11.661 ( 0.381 0.413 -0.476) 0.736 11.724 ( 0.781 -4.588 -6.064) 7.644 12.327 ( -0.226 5.505 2.358) 5.993 12.361 ( 0.236 3.119 -0.347) 3.148 12.502 ( -1.801 3.869 1.622) 4.566 12.556 ( 1.711 2.286 -3.654) 4.638 12.651 ( -1.085 -2.656 2.005) 3.500 12.723 ( 2.663 -6.391 -4.519) 8.268 12.877 ( 0.870 -0.008 -1.013) 1.336 12.885 ( -0.523 -0.789 -1.772) 2.009 13.616 ( 2.071 1.113 2.728) 3.602 13.635 ( 2.172 -0.946 1.321) 2.712 13.683 ( -0.692 0.507 -0.019) 0.858 13.691 ( -0.146 -0.276 -0.801) 0.860 13.909 ( -2.474 0.864 2.383) 3.542 13.926 ( -2.589 -0.812 1.522) 3.111 14.028 ( 1.332 0.462 -1.005) 1.731 14.038 ( 1.466 -0.656 -0.957) 1.870 14.237 ( 0.656 0.711 1.678) 1.936 14.249 ( 0.290 -0.416 0.869) 1.006 14.304 ( 1.722 0.009 -1.057) 2.021 14.310 ( 0.720 -0.545 -1.288) 1.574 14.679 ( 2.120 1.850 2.575) 3.814 14.703 ( 0.914 -0.657 0.620) 1.285 14.988 ( -0.861 0.939 0.664) 1.437 15.005 ( -1.698 -0.846 -0.744) 2.038 17.882 ( -2.001 0.562 0.403) 2.117 17.901 ( -2.369 -1.564 -0.297) 2.854 17.920 ( -1.292 0.489 -2.518) 2.872 17.932 ( -1.439 -0.853 -2.542) 3.043 18.122 ( -0.435 0.644 1.099) 1.345 18.129 ( -0.101 -0.151 0.405) 0.444 18.247 ( -0.101 0.634 -0.733) 0.974 18.253 ( 0.087 0.018 -1.136) 1.139 18.363 ( 0.975 0.788 1.921) 2.294 18.370 ( 1.476 0.176 1.416) 2.053 18.422 ( 0.384 -0.118 1.365) 1.423 18.424 ( 0.649 -0.319 1.161) 1.367 19.055 ( 0.314 0.462 0.709) 0.902 19.063 ( 0.472 -0.368 -0.081) 0.604 19.241 ( 0.262 0.242 -0.381) 0.522 19.246 ( 0.256 -0.270 -0.816) 0.897 20.059 ( -0.203 1.098 0.202) 1.135 20.078 ( 0.079 -0.899 -1.631) 1.864 20.182 ( -0.119 2.127 0.837) 2.289 20.222 ( 0.881 -2.128 -3.010) 3.790 20.633 ( -0.158 0.417 0.261) 0.516 20.643 ( 0.105 -0.594 -0.643) 0.881 20.874 ( 0.048 0.338 -0.211) 0.402 20.880 ( 0.099 -0.230 -0.707) 0.750 21.483 ( 0.180 0.868 1.662) 1.883 21.496 ( 0.081 -0.476 0.475) 0.677 21.606 ( -0.492 0.492 -1.957) 2.077 21.617 ( -1.482 -0.472 -2.566) 3.001 21.687 ( 1.320 1.943 1.766) 2.939 21.729 ( 0.690 -2.284 2.280) 3.300 21.747 ( 0.160 2.599 -3.272) 4.182 21.799 ( 0.217 -2.791 -3.592) 4.554 24.783 ( -0.699 0.422 0.789) 1.136 24.791 ( -0.120 -0.346 0.092) 0.377 24.905 ( -0.377 0.532 0.204) 0.684 24.909 ( 0.344 0.039 -0.274) 0.441 24.993 ( 0.726 0.359 1.218) 1.463 25.004 ( -0.063 -0.753 0.258) 0.798 25.130 ( 0.410 0.337 0.456) 0.700 25.136 ( -0.593 -0.293 -0.085) 0.667 28.801 ( 0.203 0.287 0.331) 0.483 28.806 ( 0.101 -0.158 -0.054) 0.195 28.822 ( -0.027 0.043 -0.325) 0.329 28.824 ( 0.200 -0.203 -0.526) 0.599 29.092 ( -0.234 0.193 0.272) 0.408 29.095 ( -0.068 -0.166 0.146) 0.231 29.111 ( 0.157 0.273 -0.748) 0.812 29.116 ( 0.145 -0.209 -0.984) 1.016 35.074 ( -1.655 1.257 2.263) 3.072 35.094 ( 1.675 -0.853 0.449) 1.933 35.205 ( 5.488 1.815 9.275) 10.929 35.243 ( 4.048 -2.280 6.626) 8.092 35.404 ( -9.231 1.862 -8.709) 12.827 35.435 ( -11.177 -1.486 -11.870) 16.372 35.841 ( 2.559 3.507 3.886) 5.827 35.912 ( 9.637 -4.086 -2.912) 10.865 38.167 ( -0.275 1.481 2.022) 2.521 38.187 ( -0.735 -0.398 0.424) 0.937 38.331 ( 0.279 1.176 0.144) 1.217 38.349 ( -1.309 0.662 0.089) 1.469 38.374 ( -0.589 -0.174 0.885) 1.078 38.380 ( 2.167 -1.051 -0.633) 2.491 38.697 ( -0.432 0.199 -0.001) 0.476 38.722 ( 0.865 -2.303 -2.433) 3.460 39.001 ( 0.317 1.240 -0.169) 1.291 39.013 ( -0.217 0.065 -1.301) 1.321 39.315 ( -3.146 -0.140 -0.728) 3.232 39.317 ( 1.436 -0.390 -0.940) 1.760 40.096 ( -4.362 1.903 4.628) 6.638 40.133 ( -3.350 -1.767 3.716) 5.306 40.221 ( 6.810 2.255 -2.017) 7.452 40.277 ( 12.396 -3.499 -4.692) 13.708 40.671 ( -1.106 0.676 -0.146) 1.304 40.681 ( 0.365 -0.395 -1.074) 1.201 41.287 ( -3.050 2.464 1.751) 4.294 41.331 ( -9.790 -2.114 -2.307) 10.278 41.767 ( -1.196 2.575 4.799) 5.576 41.809 ( -1.227 -1.827 1.183) 2.498 42.312 ( 1.006 3.463 2.368) 4.314 42.403 ( 5.550 -5.997 -5.929) 10.096 ======================= Grid point 94 (55/57) ======================= q-point: ( 0.25 0.40 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.711 ( 2.950 7.260 8.473) 11.542 2.830 ( 8.332 -5.365 9.673) 13.849 3.054 ( 4.497 1.133 4.171) 6.237 3.059 ( 7.055 0.271 8.599) 11.126 3.248 ( 2.433 7.889 6.587) 10.562 3.352 ( 1.887 -2.531 0.725) 3.239 3.595 ( -1.603 12.455 14.279) 19.016 3.682 ( -4.285 4.377 3.003) 6.822 3.743 ( -6.542 19.378 5.111) 21.082 3.770 ( -7.548 6.920 0.988) 10.288 4.035 ( -4.495 -6.855 4.936) 9.569 4.144 ( -5.680 -20.096 6.310) 21.816 4.245 ( -5.221 -3.220 0.802) 6.186 4.400 ( -0.107 -12.501 -0.654) 12.518 4.474 ( -4.275 9.378 -3.176) 10.784 4.618 ( 6.330 -3.020 -1.475) 7.167 4.649 ( 3.384 -2.362 -1.356) 4.344 4.712 ( 7.604 -4.889 -9.175) 12.880 4.938 ( 0.997 -0.989 -2.086) 2.514 4.995 ( 1.142 -5.133 -5.720) 7.770 5.066 ( -1.030 1.533 -5.465) 5.768 5.096 ( -1.709 -1.443 -2.961) 3.711 5.225 ( 6.929 2.393 4.929) 8.833 5.245 ( 3.540 -0.089 4.219) 5.508 5.358 ( -5.944 1.308 3.301) 6.923 5.379 ( 0.630 0.595 1.708) 1.915 5.436 ( 0.690 1.464 -0.810) 1.809 5.528 ( 6.200 -5.679 -2.798) 8.861 5.598 ( 1.306 6.371 -0.982) 6.577 5.730 ( 2.736 -4.291 -1.737) 5.377 5.756 ( 3.306 4.371 1.093) 5.588 5.775 ( 3.256 1.096 0.675) 3.501 5.825 ( 1.574 -1.099 1.179) 2.253 5.881 ( -6.912 -1.379 -0.796) 7.093 5.901 ( 3.475 -4.866 3.476) 6.916 5.985 ( -3.318 -10.369 1.538) 10.995 6.146 ( 1.533 -0.611 4.664) 4.948 6.161 ( 1.056 -2.705 7.054) 7.628 6.288 ( -1.441 3.455 -1.556) 4.054 6.324 ( 0.482 2.830 3.386) 4.439 6.373 ( -3.461 -3.429 -1.023) 4.978 6.387 ( 3.367 -2.352 3.407) 5.336 6.601 ( -0.166 5.190 -1.150) 5.318 6.679 ( -0.363 -2.260 2.241) 3.204 6.725 ( 0.939 0.731 -0.929) 1.510 6.756 ( -0.025 -2.187 1.045) 2.423 6.822 ( 4.768 4.873 4.128) 7.970 6.866 ( 1.061 1.321 2.216) 2.790 6.918 ( -1.709 2.249 2.962) 4.093 6.928 ( -0.243 -0.543 5.461) 5.493 6.953 ( -9.583 -4.014 3.996) 11.132 7.001 ( -4.107 -3.972 -2.401) 6.198 7.097 ( -8.209 1.056 5.729) 10.065 7.138 ( -5.488 -3.595 6.067) 8.936 7.296 ( 1.544 2.941 -0.161) 3.326 7.342 ( 2.522 -2.257 0.360) 3.404 7.568 ( -6.001 6.182 2.018) 8.849 7.659 ( -1.701 -0.281 -2.018) 2.654 7.700 ( -9.222 7.185 -4.127) 12.398 7.773 ( -0.591 1.451 0.562) 1.665 7.777 ( -6.662 0.738 -4.594) 8.126 7.828 ( -2.309 -2.500 0.029) 3.403 8.059 ( -7.229 3.461 -0.002) 8.015 8.071 ( 1.536 3.194 0.543) 3.586 8.106 ( -4.006 -2.553 -1.595) 5.011 8.128 ( -4.677 -0.235 -0.228) 4.689 8.274 ( 5.850 -0.170 -2.400) 6.326 8.294 ( 3.500 -1.608 -2.835) 4.783 8.330 ( -0.447 3.537 1.991) 4.084 8.421 ( -1.441 -4.578 -1.812) 5.130 8.557 ( 3.344 4.383 5.405) 7.720 8.611 ( -2.111 4.473 2.442) 5.516 8.642 ( 4.565 0.440 1.737) 4.904 8.679 ( 5.213 2.973 2.139) 6.371 8.703 ( 1.676 -1.728 -1.605) 2.893 8.759 ( 3.574 -3.164 -0.415) 4.791 8.813 ( 6.092 3.065 -1.535) 6.991 8.848 ( -0.281 -1.881 -1.271) 2.288 8.948 ( 0.228 0.848 -2.181) 2.351 9.013 ( 2.273 -2.934 -0.199) 3.717 9.076 ( 3.406 2.421 -4.011) 5.793 9.136 ( 1.593 -2.989 -1.964) 3.915 9.268 ( -2.352 4.184 3.116) 5.723 9.350 ( 0.994 -3.485 3.092) 4.764 9.403 ( -1.585 1.244 -1.793) 2.697 9.458 ( -1.469 -3.995 -3.405) 5.451 9.532 ( -6.358 6.526 -0.240) 9.114 9.655 ( -5.365 -6.823 -0.594) 8.700 9.789 ( -0.304 1.179 -0.420) 1.288 9.833 ( -0.425 -3.748 0.543) 3.811 9.947 ( -3.248 0.942 3.115) 4.598 9.982 ( -2.976 -2.706 3.514) 5.341 10.250 ( -0.908 6.715 2.106) 7.096 10.369 ( -1.686 -4.594 3.247) 5.873 10.495 ( -2.570 4.828 -3.430) 6.456 10.496 ( 3.082 4.899 -0.538) 5.812 10.616 ( -0.489 6.843 2.046) 7.159 10.642 ( 0.643 3.547 -3.723) 5.183 10.700 ( -0.469 -5.244 4.824) 7.141 10.717 ( 2.717 -5.400 -2.202) 6.433 10.866 ( 0.679 -7.876 3.343) 8.583 10.903 ( 6.191 -10.056 -3.696) 12.374 11.059 ( 3.980 1.276 -1.293) 4.375 11.072 ( 4.944 0.799 -1.260) 5.164 11.225 ( -1.809 2.108 3.558) 4.514 11.285 ( 0.764 -2.639 0.148) 2.751 11.386 ( 3.165 5.425 4.020) 7.457 11.478 ( 3.882 -2.807 2.232) 5.285 11.538 ( 0.990 3.744 -2.837) 4.801 11.598 ( 3.739 2.417 -3.442) 5.628 11.644 ( -0.401 -1.523 -2.797) 3.210 11.729 ( 0.929 -5.855 -4.212) 7.272 12.347 ( 0.989 5.414 3.493) 6.518 12.371 ( 1.391 3.765 -1.055) 4.150 12.459 ( -2.050 3.438 -0.704) 4.064 12.524 ( -3.173 -2.617 0.183) 4.117 12.670 ( 2.300 1.950 -1.631) 3.428 12.747 ( 1.139 -5.286 -3.421) 6.398 12.822 ( -3.028 3.720 -1.208) 4.946 12.914 ( 0.779 -5.304 -2.060) 5.743 13.543 ( -5.253 1.059 -1.291) 5.512 13.553 ( -4.854 0.036 -1.033) 4.963 13.726 ( 0.879 0.593 0.025) 1.060 13.740 ( 1.839 -0.850 -0.599) 2.113 13.915 ( -0.031 0.432 4.027) 4.050 13.930 ( -0.469 -1.049 3.847) 4.015 14.029 ( 1.660 1.768 -2.223) 3.290 14.060 ( 2.396 -1.485 -1.821) 3.356 14.240 ( -1.425 0.402 -0.323) 1.515 14.245 ( -0.608 -0.130 0.110) 0.631 14.307 ( -0.093 0.353 -3.735) 3.753 14.317 ( -0.469 -0.672 -3.512) 3.606 14.660 ( -2.816 1.306 -1.332) 3.378 14.681 ( -2.191 -0.752 -0.711) 2.423 15.011 ( 1.946 0.649 1.486) 2.533 15.020 ( 2.105 -0.215 1.690) 2.708 17.879 ( 1.342 0.364 3.492) 3.758 17.897 ( 1.601 -1.545 3.612) 4.242 17.941 ( 3.213 0.869 1.661) 3.720 17.958 ( 3.479 -1.014 1.913) 4.098 18.132 ( 0.707 0.909 1.451) 1.852 18.144 ( 0.964 -0.314 0.780) 1.279 18.217 ( -1.936 0.583 -0.385) 2.058 18.227 ( -1.920 -0.426 -0.769) 2.112 18.365 ( -2.684 1.320 -1.151) 3.205 18.375 ( -0.768 0.680 -1.124) 1.521 18.412 ( -1.495 -0.259 -0.391) 1.567 18.421 ( 0.015 -0.827 -0.757) 1.121 19.049 ( -0.964 0.585 -0.071) 1.130 19.059 ( -0.599 -0.499 -0.896) 1.188 19.237 ( -0.246 0.369 -0.722) 0.847 19.244 ( -0.086 -0.400 -0.975) 1.058 20.063 ( 0.399 0.888 0.535) 1.111 20.079 ( 0.600 -0.793 -1.187) 1.548 20.176 ( -0.621 2.371 0.621) 2.528 20.220 ( 0.291 -2.305 -3.308) 4.043 20.637 ( 0.305 0.529 0.377) 0.717 20.647 ( 0.445 -0.558 -0.465) 0.852 20.869 ( -0.406 0.270 -0.159) 0.513 20.874 ( -0.280 -0.259 -0.667) 0.768 21.490 ( -0.003 1.344 0.518) 1.440 21.507 ( 0.405 -0.393 -0.099) 0.573 21.579 ( -0.841 0.959 0.267) 1.303 21.598 ( -0.209 -1.173 1.321) 1.779 21.690 ( -0.662 1.830 -1.609) 2.525 21.732 ( -1.107 -2.651 0.074) 2.874 21.758 ( 1.773 2.018 -2.171) 3.454 21.797 ( 0.860 -2.069 -2.910) 3.673 24.790 ( 0.960 0.503 1.345) 1.727 24.800 ( 0.838 -0.679 0.830) 1.360 24.897 ( -0.416 1.617 -0.072) 1.671 24.923 ( -0.196 -1.123 -0.235) 1.164 24.983 ( -0.948 0.444 -0.421) 1.128 24.991 ( -0.760 -0.357 0.539) 0.998 25.130 ( 0.011 0.681 -0.035) 0.682 25.144 ( 0.287 -0.793 0.320) 0.902 28.805 ( 0.019 0.105 0.101) 0.147 28.807 ( -0.036 -0.045 -0.211) 0.218 28.818 ( -0.121 0.342 -0.429) 0.561 28.825 ( 0.076 -0.370 -0.657) 0.758 29.090 ( -0.083 0.262 0.408) 0.492 29.094 ( -0.078 -0.251 0.227) 0.347 29.112 ( 0.168 0.199 -0.590) 0.645 29.115 ( 0.206 -0.165 -0.886) 0.924 35.034 ( -2.297 3.424 1.262) 4.312 35.102 ( -1.117 -3.473 -0.805) 3.736 35.187 ( -7.345 0.255 -4.729) 8.739 35.209 ( -6.803 -1.767 -3.482) 7.844 35.367 ( 3.995 1.375 12.136) 12.850 35.388 ( 6.022 -0.919 15.002) 16.192 35.888 ( 2.213 9.226 -7.378) 12.019 36.050 ( 6.009 -8.164 -14.174) 17.426 38.176 ( 0.621 0.633 0.971) 1.315 38.183 ( -0.186 0.028 1.646) 1.657 38.311 ( -1.285 1.162 0.739) 1.883 38.327 ( -0.693 -0.606 -0.453) 1.026 38.378 ( 0.046 0.719 -0.396) 0.822 38.401 ( -0.423 -1.516 0.361) 1.615 38.714 ( 2.166 2.307 0.078) 3.165 38.766 ( 2.280 -3.085 -1.545) 4.136 39.036 ( 6.216 2.444 -0.862) 6.735 39.077 ( 6.722 -1.760 -0.948) 7.013 39.345 ( 5.012 4.189 1.241) 6.649 39.425 ( 7.426 -4.301 1.381) 8.693 39.772 ( -19.571 0.822 -0.211) 19.590 39.804 ( -20.432 -2.454 -0.014) 20.579 40.048 ( -16.182 6.767 -5.396) 18.351 40.174 ( -14.560 -6.787 -6.076) 17.175 40.986 ( 22.496 3.808 -0.942) 22.835 41.047 ( 23.291 -2.600 -2.913) 23.616 41.377 ( 11.026 3.215 7.836) 13.904 41.437 ( 10.308 -2.772 10.658) 15.084 41.689 ( -7.532 0.967 5.132) 9.166 41.714 ( -7.812 -1.188 1.613) 8.065 42.252 ( -6.638 6.357 -2.743) 9.591 42.392 ( -3.358 -8.362 -10.279) 13.670 ======================= Grid point 95 (56/57) ======================= q-point: (-0.50 0.40 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 91 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.889 ( 4.946 9.618 11.227) 15.589 2.981 ( 3.080 2.748 2.892) 5.040 3.263 ( 0.966 5.277 8.811) 10.316 3.325 ( 5.858 -0.010 8.154) 10.040 3.359 ( 16.814 3.144 4.803) 17.767 3.424 ( 5.553 -3.545 6.880) 9.526 3.511 ( -3.045 3.261 2.980) 5.366 3.573 ( -6.679 -1.675 -5.923) 9.083 3.730 ( -8.519 6.626 5.351) 12.046 3.826 ( 8.165 14.825 12.630) 21.118 3.952 ( 2.876 14.553 -7.621) 16.678 4.032 ( -1.656 -9.593 7.840) 12.499 4.187 ( -8.091 1.487 -5.839) 10.089 4.270 ( 1.264 -17.551 -1.516) 17.662 4.413 ( 2.974 -10.086 0.378) 10.522 4.520 ( -5.049 -13.039 -5.668) 15.087 4.721 ( -6.737 5.356 5.579) 10.257 4.821 ( -2.573 0.224 -1.614) 3.046 4.877 ( -5.643 -3.537 4.087) 7.814 4.970 ( -2.451 -7.124 -2.956) 8.093 5.009 ( -2.571 0.268 -0.106) 2.588 5.034 ( -1.398 -2.447 -2.781) 3.960 5.278 ( 0.271 1.691 4.422) 4.742 5.310 ( 2.530 -1.556 3.046) 4.254 5.357 ( 1.545 4.619 4.444) 6.593 5.417 ( 0.032 -0.801 3.115) 3.217 5.499 ( 0.337 1.767 -4.603) 4.942 5.513 ( -3.085 3.001 -4.103) 5.947 5.633 ( -0.334 3.963 3.808) 5.506 5.747 ( -0.501 0.963 -5.140) 5.254 5.814 ( -1.412 -5.452 2.283) 6.077 5.825 ( -2.385 -3.645 4.484) 6.251 5.853 ( -0.149 -3.933 2.532) 4.680 5.894 ( -3.009 -2.321 0.868) 3.898 5.936 ( 3.232 0.300 -1.786) 3.705 5.967 ( 5.493 -3.972 -0.912) 6.840 6.188 ( 1.914 2.007 2.701) 3.871 6.208 ( 1.350 0.231 4.429) 4.635 6.270 ( -4.663 -0.837 3.959) 6.174 6.283 ( -2.297 -2.047 7.865) 8.445 6.421 ( 1.288 2.108 -0.524) 2.525 6.465 ( -7.146 -1.880 -0.577) 7.412 6.475 ( -3.180 0.497 -0.823) 3.322 6.504 ( -1.420 -1.126 0.560) 1.897 6.627 ( 0.425 4.138 4.489) 6.120 6.699 ( -0.502 -3.500 2.997) 4.635 6.743 ( -0.149 -0.472 -2.863) 2.906 6.762 ( -3.202 -2.198 -4.759) 6.143 6.914 ( -2.654 1.367 4.217) 5.166 6.943 ( -0.811 -1.321 3.018) 3.392 6.981 ( 1.152 1.100 1.306) 2.060 6.999 ( -0.692 -1.090 0.109) 1.296 7.156 ( 5.167 2.295 7.031) 9.022 7.220 ( 6.590 -3.667 6.917) 10.234 7.318 ( -1.585 5.189 -1.610) 5.659 7.346 ( -1.271 2.212 -0.969) 2.729 7.474 ( -1.446 2.481 5.123) 5.873 7.510 ( -7.602 -2.090 0.307) 7.890 7.682 ( 0.178 3.105 -2.277) 3.855 7.737 ( -0.087 -1.269 -5.609) 5.751 7.812 ( 7.890 5.399 -0.878) 9.600 7.856 ( -2.163 0.056 -3.675) 4.265 7.901 ( 1.053 1.410 -1.115) 2.083 7.933 ( -0.606 -1.358 -3.519) 3.820 8.098 ( -1.076 3.873 3.092) 5.072 8.142 ( 0.677 -1.603 0.573) 1.832 8.251 ( -1.272 -0.384 -2.008) 2.407 8.286 ( -0.310 -4.345 -3.937) 5.872 8.392 ( 1.612 -0.202 2.489) 2.972 8.427 ( 0.569 -3.603 0.624) 3.700 8.589 ( -1.373 7.163 4.116) 8.374 8.626 ( 1.059 6.890 4.313) 8.198 8.657 ( -0.269 -1.503 0.365) 1.570 8.721 ( 2.355 -2.677 -2.001) 4.088 8.805 ( 2.411 4.093 -4.025) 6.226 8.831 ( 4.175 2.605 -2.658) 5.593 8.856 ( 1.481 -0.913 -3.058) 3.518 8.921 ( 1.965 -4.025 -4.481) 6.336 8.989 ( 1.919 1.073 1.987) 2.964 9.014 ( -2.333 -0.699 0.339) 2.459 9.097 ( -4.723 3.280 0.408) 5.765 9.120 ( 0.260 1.615 -1.131) 1.989 9.262 ( 0.453 4.141 2.427) 4.821 9.322 ( 0.022 1.630 -1.795) 2.425 9.403 ( -2.114 -1.799 1.083) 2.980 9.420 ( 2.134 -1.686 -0.596) 2.784 9.504 ( 2.306 -2.597 1.727) 3.879 9.534 ( -4.182 -6.944 -0.988) 8.166 9.795 ( 0.844 0.583 3.116) 3.280 9.822 ( -1.372 -2.414 2.408) 3.675 9.918 ( 0.789 -0.164 0.180) 0.826 9.961 ( 1.304 -4.389 -1.670) 4.874 10.279 ( 0.854 3.649 4.124) 5.572 10.344 ( -1.830 -2.680 1.293) 3.493 10.424 ( -2.187 7.424 -0.842) 7.785 10.519 ( 1.570 -0.583 -5.770) 6.008 10.618 ( -0.492 7.733 1.664) 7.925 10.647 ( -0.004 5.813 -0.274) 5.820 10.715 ( 1.029 -4.257 2.297) 4.946 10.750 ( 1.772 -4.367 -3.341) 5.777 10.910 ( -0.060 -8.160 2.793) 8.625 10.966 ( 0.023 -9.324 -1.627) 9.465 11.097 ( 0.941 -0.450 3.125) 3.294 11.114 ( -1.733 -1.119 1.565) 2.590 11.243 ( 0.905 6.218 0.997) 6.362 11.319 ( 2.339 0.028 -4.410) 4.992 11.449 ( -0.214 1.585 5.660) 5.882 11.509 ( -0.722 -3.919 2.455) 4.680 11.577 ( 2.460 5.727 -3.794) 7.297 11.582 ( -1.857 3.741 -2.187) 4.714 11.689 ( -0.044 -4.203 -1.252) 4.385 11.714 ( 1.536 -5.328 -3.827) 6.737 12.370 ( -1.105 5.484 3.541) 6.621 12.431 ( 3.808 3.435 -0.050) 5.129 12.436 ( -0.145 2.669 -1.586) 3.108 12.463 ( -0.943 -0.632 -1.182) 1.639 12.712 ( -2.790 0.805 -0.653) 2.976 12.723 ( 2.143 2.176 -1.524) 3.414 12.798 ( 1.629 -2.455 0.361) 2.968 12.865 ( -2.408 -6.031 -5.489) 8.503 13.473 ( -0.869 1.321 -0.250) 1.600 13.481 ( -1.180 0.450 -1.089) 1.667 13.727 ( -0.477 0.823 1.570) 1.835 13.749 ( -0.310 -1.469 -0.463) 1.571 13.917 ( -0.821 -0.031 3.090) 3.197 13.921 ( 0.101 -0.450 2.942) 2.978 14.088 ( 2.626 1.044 -1.156) 3.053 14.108 ( 1.189 -1.024 -2.511) 2.961 14.196 ( -2.069 1.733 0.046) 2.699 14.221 ( -0.971 -0.474 -0.394) 1.150 14.252 ( -2.433 0.607 -4.066) 4.777 14.274 ( -0.443 -1.298 -4.067) 4.292 14.635 ( 0.206 -0.089 0.647) 0.685 14.642 ( -1.127 -0.778 -0.052) 1.370 15.045 ( 0.159 0.976 0.855) 1.308 15.054 ( 0.882 0.024 -0.027) 0.883 17.949 ( 2.713 0.004 3.401) 4.350 17.962 ( 1.846 -1.414 2.398) 3.340 18.037 ( 4.289 0.934 2.793) 5.203 18.054 ( 3.268 -0.953 1.859) 3.878 18.112 ( -2.464 0.845 0.191) 2.612 18.124 ( -2.771 -0.467 -0.372) 2.834 18.224 ( 2.942 0.618 2.412) 3.854 18.230 ( 1.760 -0.158 1.758) 2.493 18.273 ( -3.749 1.234 -1.919) 4.389 18.293 ( -4.784 -0.829 -2.804) 5.607 18.402 ( -0.071 0.947 -0.744) 1.207 18.414 ( -0.326 -0.290 -1.717) 1.772 19.029 ( -0.602 0.629 0.366) 0.944 19.042 ( -0.352 -0.740 -0.839) 1.173 19.232 ( 0.067 0.328 -0.554) 0.647 19.238 ( 0.028 -0.268 -1.061) 1.094 20.073 ( 0.133 0.820 0.272) 0.875 20.087 ( 0.524 -0.764 -1.144) 1.472 20.168 ( -0.252 2.318 0.845) 2.481 20.211 ( 0.355 -2.238 -3.214) 3.933 20.643 ( 0.052 0.539 0.338) 0.638 20.652 ( 0.114 -0.365 -0.460) 0.598 20.863 ( 0.018 0.284 -0.130) 0.313 20.869 ( 0.187 -0.361 -0.681) 0.793 21.487 ( -0.528 1.403 0.544) 1.594 21.498 ( -0.456 0.243 -0.674) 0.849 21.597 ( 1.494 1.241 2.076) 2.843 21.618 ( 1.035 -0.841 2.682) 2.995 21.667 ( -0.350 0.744 -2.856) 2.972 21.698 ( -1.265 -2.366 -2.642) 3.766 21.783 ( 1.058 0.401 -1.501) 1.880 21.797 ( 0.427 -1.044 -2.735) 2.959 24.822 ( 0.587 0.408 1.479) 1.643 24.830 ( 1.039 -0.471 0.957) 1.489 24.877 ( -0.552 0.557 -0.005) 0.784 24.885 ( -1.659 -0.368 -0.622) 1.809 24.983 ( -0.560 0.581 0.512) 0.956 24.989 ( 0.717 -0.033 -0.050) 0.720 25.134 ( 0.466 0.007 0.118) 0.481 25.138 ( -0.653 -0.369 -0.189) 0.774 28.801 ( -0.433 0.236 0.386) 0.626 28.805 ( -0.099 -0.200 0.279) 0.357 28.817 ( 0.289 0.291 -0.689) 0.802 28.823 ( 0.067 -0.257 -0.896) 0.934 29.092 ( 0.137 0.126 0.233) 0.298 29.095 ( 0.033 -0.150 0.081) 0.173 29.112 ( 0.091 0.235 -0.522) 0.580 29.116 ( 0.216 -0.193 -0.807) 0.858 35.012 ( -0.063 3.642 1.226) 3.843 35.041 ( -1.790 1.726 -1.671) 2.995 35.113 ( -1.736 -3.471 0.955) 3.997 35.124 ( -0.185 -4.802 -0.061) 4.806 35.498 ( 3.577 4.050 14.419) 15.398 35.562 ( 3.820 -2.672 16.290) 16.944 35.851 ( -1.904 9.503 -11.655) 15.159 36.011 ( -2.955 -7.693 -19.113) 20.814 38.181 ( -0.746 1.553 1.436) 2.243 38.197 ( 0.889 0.119 0.029) 0.897 38.299 ( -0.319 0.523 1.056) 1.221 38.324 ( 0.594 -1.990 -0.630) 2.170 38.377 ( -0.031 -0.359 0.516) 0.629 38.380 ( -0.890 -0.811 0.239) 1.227 38.751 ( 0.531 1.739 0.601) 1.915 38.769 ( -0.676 -0.203 -1.078) 1.288 39.244 ( 1.288 1.577 -0.351) 2.066 39.257 ( 1.373 0.679 -1.675) 2.270 39.349 ( -1.593 -1.817 -0.780) 2.539 39.358 ( 2.313 -2.152 -1.685) 3.580 39.629 ( 8.897 4.991 2.604) 10.529 39.685 ( -7.097 3.202 -1.859) 8.005 39.754 ( 5.623 -2.467 2.035) 6.469 39.826 ( -13.822 -6.004 -3.931) 15.574 41.303 ( -7.091 3.983 4.943) 9.518 41.357 ( -3.416 -1.067 0.731) 3.653 41.477 ( 2.003 0.585 0.550) 2.158 41.490 ( 8.379 -0.106 0.053) 8.379 41.749 ( 3.493 1.350 4.463) 5.826 41.765 ( 12.917 -1.215 1.209) 13.031 42.082 ( -4.250 4.121 0.302) 5.927 42.206 ( -8.411 -8.447 -10.155) 15.659 ======================= Grid point 96 (57/57) ======================= q-point: (-0.25 0.40 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.842 ( -5.495 11.239 -1.285) 12.576 2.990 ( -9.110 -5.221 -5.547) 11.875 3.181 ( -7.211 4.614 -8.345) 11.955 3.234 ( -9.340 4.488 3.676) 10.995 3.322 ( -7.279 2.499 -8.486) 11.456 3.435 ( -4.406 -3.758 -7.060) 9.131 3.679 ( 5.097 1.595 2.368) 5.843 3.697 ( 11.498 13.158 10.232) 20.249 3.729 ( 7.723 -1.589 -1.411) 8.010 3.927 ( 2.478 9.792 -2.666) 10.446 4.096 ( 5.231 -5.769 -0.311) 7.794 4.145 ( 6.696 -1.859 5.818) 9.063 4.189 ( 7.100 6.434 4.867) 10.747 4.314 ( -5.836 -4.157 5.674) 9.140 4.395 ( -5.994 7.494 6.952) 11.850 4.505 ( 0.142 -5.923 1.596) 6.136 4.594 ( 1.071 -7.676 2.043) 8.015 4.643 ( -8.648 -10.998 1.161) 14.039 4.779 ( -1.301 -1.425 10.181) 10.362 4.902 ( -2.640 -11.716 3.667) 12.557 4.988 ( -0.170 1.107 2.476) 2.718 5.033 ( 1.600 -4.244 1.262) 4.708 5.294 ( -7.770 6.968 -0.406) 10.445 5.300 ( -3.367 0.756 -0.304) 3.464 5.335 ( 3.070 0.944 1.489) 3.541 5.454 ( 1.884 1.479 -0.398) 2.428 5.465 ( 0.141 -3.260 -1.245) 3.492 5.473 ( -1.413 -0.323 2.304) 2.722 5.554 ( -7.115 1.061 4.375) 8.419 5.667 ( -5.285 -8.080 2.238) 9.911 5.752 ( -3.317 1.393 1.699) 3.979 5.780 ( 1.433 4.706 -0.826) 4.988 5.823 ( 0.594 -0.498 1.006) 1.270 5.895 ( -1.880 -2.129 2.768) 3.966 5.907 ( -3.007 -0.486 -2.409) 3.883 6.010 ( -0.966 -8.548 0.018) 8.603 6.142 ( -0.380 0.630 3.003) 3.092 6.163 ( -1.052 -1.521 6.418) 6.679 6.267 ( -2.427 1.300 4.156) 4.985 6.295 ( -0.898 -1.650 4.438) 4.819 6.385 ( -4.051 2.230 -1.479) 4.854 6.417 ( -3.924 -1.049 2.090) 4.568 6.483 ( 1.756 3.665 4.894) 6.362 6.561 ( 2.653 -4.221 7.251) 8.799 6.661 ( -0.720 0.939 5.147) 5.281 6.685 ( -1.037 -1.815 2.658) 3.381 6.842 ( 6.411 3.400 6.037) 9.440 6.870 ( -2.988 0.994 3.764) 4.908 6.929 ( -4.878 0.212 0.322) 4.894 6.971 ( 10.492 0.195 -2.399) 10.765 6.977 ( 1.602 -4.056 4.019) 5.930 7.023 ( 4.329 -4.241 -1.963) 6.370 7.206 ( 1.446 3.059 2.177) 4.023 7.233 ( -3.445 1.483 1.144) 3.921 7.304 ( 0.706 0.814 -3.781) 3.932 7.324 ( 2.556 -1.858 -3.951) 5.060 7.539 ( 8.951 6.705 5.114) 12.298 7.585 ( 3.699 4.764 6.145) 8.610 7.648 ( 4.153 -1.012 1.478) 4.523 7.707 ( -1.150 -3.243 -1.809) 3.887 7.820 ( 3.957 3.700 -3.501) 6.450 7.874 ( 5.470 -0.164 -3.726) 6.620 8.019 ( -0.939 4.515 4.798) 6.655 8.060 ( 4.916 3.516 -1.558) 6.241 8.096 ( 3.164 2.157 -1.718) 4.197 8.151 ( 1.117 -5.067 0.650) 5.229 8.248 ( 0.303 -1.154 -0.639) 1.354 8.288 ( 1.896 -3.853 -3.126) 5.311 8.397 ( -2.939 -0.012 -2.848) 4.093 8.401 ( -0.340 -1.042 -1.917) 2.208 8.586 ( -1.662 5.224 3.435) 6.469 8.632 ( -1.640 4.932 -0.101) 5.199 8.642 ( -2.394 -0.604 -1.441) 2.859 8.710 ( -4.090 -2.506 -3.624) 6.012 8.768 ( -3.166 5.516 -2.638) 6.885 8.814 ( -3.968 1.544 -1.647) 4.566 8.859 ( -1.665 -1.320 -4.675) 5.135 8.877 ( -3.718 1.910 -3.986) 5.775 8.949 ( 2.470 0.648 -2.798) 3.788 9.011 ( 0.968 -1.203 0.675) 1.685 9.039 ( -0.649 1.081 -0.369) 1.314 9.114 ( -1.489 -3.968 -0.186) 4.242 9.271 ( -0.204 3.123 2.920) 4.280 9.322 ( -1.927 -2.196 1.844) 3.454 9.391 ( 0.344 -0.656 -0.019) 0.741 9.456 ( 1.702 -7.215 -1.901) 7.653 9.533 ( 7.713 6.773 0.868) 10.301 9.629 ( 4.878 -3.708 1.678) 6.353 9.808 ( -0.420 0.680 -0.192) 0.822 9.850 ( 2.619 -3.146 2.292) 4.691 9.941 ( 0.381 1.601 0.643) 1.767 10.012 ( 2.597 -5.211 0.204) 5.826 10.276 ( 0.340 4.326 0.782) 4.410 10.345 ( 0.410 -3.022 3.373) 4.547 10.421 ( 0.924 7.456 2.030) 7.782 10.546 ( 2.332 -3.909 -5.769) 7.349 10.586 ( -1.338 7.490 -0.806) 7.651 10.649 ( -0.034 5.191 0.158) 5.194 10.743 ( 0.603 -4.190 -0.240) 4.240 10.759 ( -1.856 -5.322 -1.696) 5.886 10.864 ( -2.341 -4.438 -0.011) 5.017 10.923 ( -2.201 -6.943 -1.761) 7.493 11.038 ( -6.293 0.567 0.266) 6.324 11.083 ( -4.327 -4.446 0.350) 6.214 11.237 ( -0.092 6.510 0.077) 6.511 11.332 ( -0.165 -2.343 -3.618) 4.313 11.410 ( -3.363 3.127 2.323) 5.146 11.472 ( -3.796 -2.493 3.414) 5.682 11.520 ( -2.221 3.493 -0.475) 4.166 11.602 ( -4.087 -2.127 -3.284) 5.658 11.632 ( 2.907 3.472 -2.819) 5.335 11.737 ( 0.876 -5.528 -4.580) 7.232 12.342 ( -1.839 4.702 0.891) 5.127 12.378 ( -2.263 2.451 -0.545) 3.380 12.487 ( 2.874 3.909 -1.366) 5.040 12.519 ( 2.476 3.589 -0.388) 4.377 12.661 ( -0.632 -2.239 0.376) 2.357 12.724 ( -1.914 -6.367 -1.219) 6.760 12.828 ( 3.467 2.824 -1.898) 4.857 12.893 ( 2.177 -3.478 -0.727) 4.167 13.507 ( 3.919 0.936 1.656) 4.356 13.514 ( 4.715 0.242 2.057) 5.149 13.721 ( -1.339 0.414 1.272) 1.893 13.734 ( -1.406 -0.966 -0.445) 1.764 13.938 ( 1.018 0.707 2.929) 3.181 13.956 ( 2.110 -1.093 2.744) 3.630 14.036 ( -4.666 0.743 -3.054) 5.626 14.052 ( -4.071 -0.914 -1.950) 4.606 14.213 ( 1.700 0.887 0.415) 1.962 14.222 ( 1.449 0.043 1.681) 2.220 14.261 ( 2.545 1.177 0.139) 2.808 14.286 ( 1.727 -1.367 -0.313) 2.225 14.629 ( 0.549 1.387 1.283) 1.968 14.659 ( 1.517 -1.941 1.230) 2.754 15.027 ( -1.881 1.669 -0.200) 2.523 15.049 ( -1.341 -0.787 -0.800) 1.749 17.945 ( -2.953 0.225 -2.349) 3.780 17.961 ( -2.184 -1.574 -1.933) 3.315 17.995 ( -3.801 0.891 -2.861) 4.840 18.013 ( -3.996 -1.108 -2.886) 5.052 18.143 ( -1.282 0.730 0.645) 1.610 18.148 ( -0.978 0.306 0.319) 1.073 18.207 ( 1.794 0.308 1.073) 2.112 18.215 ( 3.183 -0.507 1.046) 3.388 18.321 ( 3.096 0.766 2.711) 4.186 18.327 ( 2.435 0.065 2.769) 3.687 18.396 ( 0.424 0.452 0.914) 1.104 18.402 ( 0.090 -0.123 -0.054) 0.162 19.036 ( 0.797 0.479 1.226) 1.539 19.046 ( 0.834 -0.596 0.069) 1.028 19.234 ( 0.376 0.374 -0.475) 0.712 19.241 ( 0.500 -0.296 -0.682) 0.896 20.068 ( -0.521 1.075 -0.066) 1.196 20.086 ( -0.059 -0.886 -1.637) 1.863 20.175 ( 0.303 2.029 1.070) 2.314 20.213 ( 1.005 -2.048 -2.867) 3.663 20.639 ( -0.441 0.417 0.215) 0.644 20.647 ( -0.214 -0.411 -0.639) 0.789 20.869 ( 0.480 0.357 -0.192) 0.629 20.875 ( 0.559 -0.313 -0.714) 0.959 21.478 ( -0.407 1.240 1.127) 1.725 21.495 ( -0.062 -0.284 0.591) 0.659 21.624 ( -0.114 1.336 -2.698) 3.013 21.642 ( 1.767 1.140 0.996) 2.327 21.654 ( -0.797 -0.503 -2.003) 2.214 21.690 ( 1.539 -2.437 1.527) 3.262 21.772 ( -0.735 1.331 -2.800) 3.186 21.804 ( 0.714 -2.030 -2.440) 3.253 24.805 ( -1.556 0.236 0.273) 1.598 24.809 ( -1.579 -0.152 -0.227) 1.603 24.892 ( 1.069 0.972 0.451) 1.514 24.911 ( 1.395 -1.001 1.043) 2.009 24.969 ( -0.149 1.435 0.689) 1.599 24.994 ( 0.158 -1.254 0.071) 1.266 25.128 ( -0.194 0.894 0.082) 0.918 25.144 ( 0.082 -0.813 0.209) 0.844 28.797 ( -0.066 0.400 0.607) 0.730 28.804 ( -0.038 -0.378 0.305) 0.487 28.821 ( 0.263 0.024 -0.500) 0.566 28.822 ( 0.213 -0.043 -0.709) 0.742 29.094 ( -0.012 0.066 0.053) 0.086 29.096 ( 0.011 -0.065 0.015) 0.068 29.111 ( 0.098 0.305 -0.660) 0.734 29.116 ( 0.163 -0.238 -0.896) 0.941 35.044 ( 2.243 1.969 1.237) 3.231 35.052 ( 2.349 1.884 1.894) 3.557 35.115 ( 0.827 -0.862 3.107) 3.329 35.155 ( 2.596 -4.600 1.997) 5.647 35.595 ( -3.233 3.659 -2.745) 5.602 35.629 ( 0.047 -0.183 0.444) 0.482 35.781 ( -0.464 1.167 6.025) 6.155 35.824 ( -4.910 -2.972 -10.363) 11.846 38.169 ( -0.708 2.199 1.358) 2.680 38.202 ( -0.473 -0.711 -0.020) 0.854 38.308 ( 0.866 0.953 0.827) 1.531 38.340 ( 1.458 -1.155 -0.701) 1.988 38.369 ( -0.331 0.052 -0.200) 0.390 38.387 ( -0.223 -1.270 1.509) 1.985 38.723 ( -2.069 1.509 -0.603) 2.631 38.753 ( -1.519 -1.434 -0.582) 2.169 39.043 ( -6.169 1.869 -1.640) 6.652 39.083 ( -6.482 -2.147 -1.484) 6.988 39.385 ( -6.063 4.300 -2.592) 7.872 39.463 ( -8.938 -3.879 -2.128) 9.972 39.771 ( 20.887 1.746 0.049) 20.960 39.813 ( 22.378 -2.709 -0.899) 22.560 39.940 ( 14.944 5.209 4.695) 16.507 40.042 ( 12.869 -5.624 6.343) 15.410 40.965 ( -20.306 1.848 1.560) 20.449 41.006 ( -21.242 -2.159 0.989) 21.374 41.529 ( -15.025 7.617 -6.152) 17.934 41.621 ( -6.861 -1.610 -4.501) 8.362 41.687 ( 7.116 3.860 3.132) 8.681 41.788 ( -1.105 -7.338 -5.841) 9.444 42.199 ( 7.304 0.147 7.481) 10.456 42.234 ( 11.096 -3.366 -1.224) 11.660 =================== 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 3/38880 10.0 1047.631 3306.934 1574.044 0.000 -13.778 0.000 3/38880 20.0 664.226 621.467 583.986 0.000 4.859 0.000 3/38880 30.0 241.084 216.814 204.631 0.000 19.486 0.000 3/38880 40.0 112.435 100.322 93.435 0.000 11.495 0.000 3/38880 50.0 63.802 56.681 52.697 0.000 7.022 0.000 3/38880 60.0 41.337 36.468 34.119 0.000 4.646 0.000 3/38880 70.0 29.299 25.642 24.208 0.000 3.295 0.000 3/38880 80.0 22.132 19.223 18.310 0.000 2.473 0.000 3/38880 90.0 17.520 15.117 14.512 0.000 1.940 0.000 3/38880 100.0 14.372 12.333 11.916 0.000 1.576 0.000 3/38880 110.0 12.120 10.354 10.057 0.000 1.318 0.000 3/38880 120.0 10.447 8.892 8.675 0.000 1.127 0.000 3/38880 130.0 9.165 7.779 7.615 0.000 0.981 0.000 3/38880 140.0 8.156 6.907 6.781 0.000 0.868 0.000 3/38880 150.0 7.345 6.208 6.110 0.000 0.777 0.000 3/38880 160.0 6.681 5.638 5.560 0.000 0.703 0.000 3/38880 170.0 6.127 5.165 5.102 0.000 0.642 0.000 3/38880 180.0 5.660 4.766 4.715 0.000 0.591 0.000 3/38880 190.0 5.260 4.425 4.384 0.000 0.547 0.000 3/38880 200.0 4.914 4.132 4.098 0.000 0.510 0.000 3/38880 210.0 4.613 3.876 3.849 0.000 0.478 0.000 3/38880 220.0 4.348 3.651 3.629 0.000 0.449 0.000 3/38880 230.0 4.113 3.452 3.434 0.000 0.424 0.000 3/38880 240.0 3.903 3.275 3.261 0.000 0.402 0.000 3/38880 250.0 3.715 3.115 3.104 0.000 0.382 0.000 3/38880 260.0 3.545 2.972 2.963 0.000 0.364 0.000 3/38880 270.0 3.390 2.842 2.836 0.000 0.347 0.000 3/38880 280.0 3.250 2.723 2.719 0.000 0.332 0.000 3/38880 290.0 3.122 2.614 2.612 0.000 0.319 0.000 3/38880 300.0 3.004 2.515 2.514 0.000 0.306 0.000 3/38880 310.0 2.895 2.423 2.423 0.000 0.295 0.000 3/38880 320.0 2.794 2.338 2.340 0.000 0.284 0.000 3/38880 330.0 2.701 2.259 2.262 0.000 0.275 0.000 3/38880 340.0 2.615 2.186 2.190 0.000 0.265 0.000 3/38880 350.0 2.534 2.117 2.122 0.000 0.257 0.000 3/38880 360.0 2.459 2.054 2.059 0.000 0.249 0.000 3/38880 370.0 2.388 1.994 2.000 0.000 0.242 0.000 3/38880 380.0 2.322 1.937 1.944 0.000 0.235 0.000 3/38880 390.0 2.259 1.885 1.892 0.000 0.228 0.000 3/38880 400.0 2.201 1.835 1.843 0.000 0.222 0.000 3/38880 410.0 2.145 1.788 1.796 0.000 0.216 0.000 3/38880 420.0 2.093 1.743 1.752 0.000 0.210 0.000 3/38880 430.0 2.043 1.701 1.710 0.000 0.205 0.000 3/38880 440.0 1.996 1.661 1.670 0.000 0.200 0.000 3/38880 450.0 1.951 1.623 1.632 0.000 0.195 0.000 3/38880 460.0 1.908 1.586 1.596 0.000 0.191 0.000 3/38880 470.0 1.868 1.552 1.562 0.000 0.186 0.000 3/38880 480.0 1.829 1.519 1.529 0.000 0.182 0.000 3/38880 490.0 1.792 1.487 1.498 0.000 0.178 0.000 3/38880 500.0 1.757 1.457 1.468 0.000 0.174 0.000 3/38880 510.0 1.723 1.428 1.439 0.000 0.171 0.000 3/38880 520.0 1.691 1.401 1.412 0.000 0.167 0.000 3/38880 530.0 1.659 1.374 1.385 0.000 0.164 0.000 3/38880 540.0 1.630 1.348 1.360 0.000 0.161 0.000 3/38880 550.0 1.601 1.324 1.336 0.000 0.158 0.000 3/38880 560.0 1.573 1.300 1.312 0.000 0.155 0.000 3/38880 570.0 1.547 1.278 1.289 0.000 0.152 0.000 3/38880 580.0 1.521 1.256 1.268 0.000 0.149 0.000 3/38880 590.0 1.496 1.235 1.247 0.000 0.146 0.000 3/38880 600.0 1.472 1.214 1.226 0.000 0.144 0.000 3/38880 610.0 1.449 1.195 1.207 0.000 0.141 0.000 3/38880 620.0 1.427 1.176 1.188 0.000 0.139 0.000 3/38880 630.0 1.406 1.157 1.169 0.000 0.137 0.000 3/38880 640.0 1.385 1.140 1.152 0.000 0.135 0.000 3/38880 650.0 1.365 1.122 1.134 0.000 0.132 0.000 3/38880 660.0 1.345 1.106 1.118 0.000 0.130 0.000 3/38880 670.0 1.326 1.089 1.102 0.000 0.128 0.000 3/38880 680.0 1.308 1.074 1.086 0.000 0.126 0.000 3/38880 690.0 1.290 1.059 1.071 0.000 0.124 0.000 3/38880 700.0 1.273 1.044 1.056 0.000 0.122 0.000 3/38880 710.0 1.256 1.029 1.041 0.000 0.121 0.000 3/38880 720.0 1.239 1.016 1.028 0.000 0.119 0.000 3/38880 730.0 1.223 1.002 1.014 0.000 0.117 0.000 3/38880 740.0 1.208 0.989 1.001 0.000 0.116 0.000 3/38880 750.0 1.193 0.976 0.988 0.000 0.114 0.000 3/38880 760.0 1.178 0.963 0.975 0.000 0.112 0.000 3/38880 770.0 1.164 0.951 0.963 0.000 0.111 0.000 3/38880 780.0 1.150 0.939 0.951 0.000 0.109 0.000 3/38880 790.0 1.136 0.928 0.940 0.000 0.108 0.000 3/38880 800.0 1.123 0.917 0.928 0.000 0.107 0.000 3/38880 810.0 1.110 0.906 0.917 0.000 0.105 0.000 3/38880 820.0 1.098 0.895 0.907 0.000 0.104 0.000 3/38880 830.0 1.085 0.885 0.896 0.000 0.103 0.000 3/38880 840.0 1.073 0.874 0.886 0.000 0.101 0.000 3/38880 850.0 1.062 0.864 0.876 0.000 0.100 0.000 3/38880 860.0 1.050 0.855 0.866 0.000 0.099 0.000 3/38880 870.0 1.039 0.845 0.857 0.000 0.098 0.000 3/38880 880.0 1.028 0.836 0.847 0.000 0.097 0.000 3/38880 890.0 1.017 0.827 0.838 0.000 0.095 0.000 3/38880 900.0 1.007 0.818 0.829 0.000 0.094 0.000 3/38880 910.0 0.996 0.809 0.820 0.000 0.093 0.000 3/38880 920.0 0.986 0.801 0.812 0.000 0.092 0.000 3/38880 930.0 0.976 0.792 0.804 0.000 0.091 0.000 3/38880 940.0 0.967 0.784 0.795 0.000 0.090 0.000 3/38880 950.0 0.957 0.776 0.787 0.000 0.089 0.000 3/38880 960.0 0.948 0.768 0.779 0.000 0.088 0.000 3/38880 970.0 0.939 0.761 0.772 0.000 0.087 0.000 3/38880 980.0 0.930 0.753 0.764 0.000 0.086 0.000 3/38880 990.0 0.921 0.746 0.757 0.000 0.085 0.000 3/38880 1000.0 0.913 0.739 0.750 0.000 0.085 0.000 3/38880 Thermal conductivity related properties were written into "kappa-m459.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 22:47:28]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|