----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 08:23:04]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 1 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_12_12_1 (19) Number of symmetry operations in supercell: 8 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.791500019999999 0.000000000000000 0.000000000000000 b 0.000000000000000 10.642677890000000 0.000000000000000 c 0.000000000000000 0.000000000000000 15.767593989999996 Atomic positions (fractional): *1 N 0.38122456319626 0.36691847091309 0.32751954360373 14.007 2 N 0.88122456319626 0.13308152908691 0.67248045639627 14.007 3 N 0.61877543680374 0.86691847091309 0.17248045639627 14.007 4 N 0.11877543680374 0.63308152908691 0.82751954360373 14.007 *5 N 0.47286986932936 0.20721933744263 0.17086512048139 14.007 6 N 0.97286986932936 0.29278066255737 0.82913487951861 14.007 7 N 0.52713013067064 0.70721933744263 0.32913487951861 14.007 8 N 0.02713013067064 0.79278066255737 0.67086512048139 14.007 *9 N 0.62869485549836 0.38590517543416 0.68978445677174 14.007 10 N 0.12869485549835 0.11409482456584 0.31021554322826 14.007 11 N 0.37130514450164 0.88590517543416 0.81021554322826 14.007 12 N 0.87130514450164 0.61409482456584 0.18978445677174 14.007 *13 N 0.71342781472257 0.02659233614187 0.40971429859500 14.007 14 N 0.21342781472257 0.47340766385813 0.59028570140500 14.007 15 N 0.28657218527743 0.52659233614187 0.09028570140500 14.007 16 N 0.78657218527743 0.97340766385813 0.90971429859500 14.007 *17 N 0.77931244118724 0.40335964088375 0.05366307629841 14.007 18 N 0.27931244118724 0.09664035911624 0.94633692370159 14.007 19 N 0.22068755881276 0.90335964088375 0.44633692370159 14.007 20 N 0.72068755881276 0.59664035911625 0.55366307629841 14.007 *21 N 0.86943320544734 0.37228518472113 0.44145103279594 14.007 22 N 0.36943320544733 0.12771481527887 0.55854896720406 14.007 23 N 0.13056679455267 0.87228518472113 0.05854896720406 14.007 24 N 0.63056679455266 0.62771481527887 0.94145103279594 14.007 *25 N 0.87932484292971 0.12636478404331 0.06561271118957 14.007 26 N 0.37932484292971 0.37363521595669 0.93438728881043 14.007 27 N 0.12067515707029 0.62636478404331 0.43438728881043 14.007 28 N 0.62067515707029 0.87363521595669 0.56561271118957 14.007 *29 N 0.97465054556091 0.33471385679394 0.20487900008724 14.007 30 N 0.47465054556091 0.16528614320606 0.79512099991276 14.007 31 N 0.02534945443909 0.83471385679394 0.29512099991276 14.007 32 N 0.52534945443909 0.66528614320606 0.70487900008724 14.007 *33 Al 0.51584464804208 0.49171727139455 0.00708512009834 26.982 34 Al 0.01584464804208 0.00828272860545 0.99291487990166 26.982 35 Al 0.48415535195792 0.99171727139455 0.49291487990166 26.982 36 Al 0.98415535195792 0.50828272860545 0.50708512009834 26.982 *37 Al 0.75754464438587 0.75103244463877 0.24873857482533 26.982 38 Al 0.25754464438587 0.74896755536123 0.75126142517467 26.982 39 Al 0.24245535561413 0.25103244463877 0.25126142517467 26.982 40 Al 0.74245535561413 0.24896755536123 0.74873857482533 26.982 *41 Al 0.76101015629705 0.25622028294566 0.12835253769396 26.982 42 Al 0.26101015629705 0.24377971705434 0.87164746230604 26.982 43 Al 0.23898984370295 0.75622028294566 0.37164746230604 26.982 44 Al 0.73898984370295 0.74377971705434 0.62835253769396 26.982 *45 Al 0.99445148517789 0.48215336342142 0.13066536715599 26.982 46 Al 0.49445148517789 0.01784663657858 0.86933463284401 26.982 47 Al 0.00554851482211 0.98215336342142 0.36933463284401 26.982 48 Al 0.50554851482211 0.51784663657858 0.63066536715599 26.982 *49 Ca 0.21969380771735 0.26738620941587 0.05821498219535 40.078 50 Ca 0.71969380771735 0.23261379058413 0.94178501780465 40.078 51 Ca 0.78030619228265 0.76738620941587 0.44178501780466 40.078 52 Ca 0.28030619228265 0.73261379058413 0.55821498219535 40.078 *53 Ca 0.49745538169225 0.01128747241438 0.07406068421742 40.078 54 Ca 0.99745538169225 0.48871252758562 0.92593931578258 40.078 55 Ca 0.50254461830775 0.51128747241438 0.42593931578258 40.078 56 Ca 0.00254461830775 0.98871252758562 0.57406068421742 40.078 *57 Ca 0.53960486882361 0.47285136803949 0.20448618607017 40.078 58 Ca 0.03960486882361 0.02714863196051 0.79551381392983 40.078 59 Ca 0.46039513117639 0.97285136803949 0.29551381392983 40.078 60 Ca 0.96039513117639 0.52714863196051 0.70448618607017 40.078 *61 Ca 0.70831791760151 0.25770351263181 0.56201474662585 40.078 62 Ca 0.20831791760151 0.24229648736819 0.43798525337415 40.078 63 Ca 0.29168208239849 0.75770351263181 0.93798525337415 40.078 64 Ca 0.79168208239849 0.74229648736819 0.06201474662585 40.078 *65 Ca 0.73822180922034 0.23634870207722 0.33330417051589 40.078 66 Ca 0.23822180922034 0.26365129792277 0.66669582948411 40.078 67 Ca 0.26177819077966 0.73634870207723 0.16669582948411 40.078 68 Ca 0.76177819077966 0.76365129792277 0.83330417051589 40.078 *69 Ca 0.96802032050893 0.99113125085843 0.17977030815428 40.078 70 Ca 0.46802032050893 0.50886874914157 0.82022969184572 40.078 71 Ca 0.03197967949107 0.49113125085843 0.32022969184572 40.078 72 Ca 0.53197967949107 0.00886874914157 0.67977030815428 40.078 -------------------------------- unit cell --------------------------------- Lattice vectors: a 5.791500019999999 0.000000000000000 0.000000000000000 b 0.000000000000000 10.642677890000000 0.000000000000000 c 0.000000000000000 0.000000000000000 15.767593989999996 Atomic positions (fractional): *1 N 0.38122456319626 0.36691847091309 0.32751954360373 14.007 > 1 2 N 0.88122456319626 0.13308152908691 0.67248045639627 14.007 > 2 3 N 0.61877543680374 0.86691847091309 0.17248045639627 14.007 > 3 4 N 0.11877543680374 0.63308152908691 0.82751954360373 14.007 > 4 *5 N 0.47286986932936 0.20721933744263 0.17086512048139 14.007 > 5 6 N 0.97286986932936 0.29278066255737 0.82913487951861 14.007 > 6 7 N 0.52713013067064 0.70721933744263 0.32913487951861 14.007 > 7 8 N 0.02713013067064 0.79278066255737 0.67086512048139 14.007 > 8 *9 N 0.62869485549836 0.38590517543416 0.68978445677174 14.007 > 9 10 N 0.12869485549835 0.11409482456584 0.31021554322826 14.007 > 10 11 N 0.37130514450164 0.88590517543416 0.81021554322826 14.007 > 11 12 N 0.87130514450164 0.61409482456584 0.18978445677174 14.007 > 12 *13 N 0.71342781472257 0.02659233614187 0.40971429859500 14.007 > 13 14 N 0.21342781472257 0.47340766385813 0.59028570140500 14.007 > 14 15 N 0.28657218527743 0.52659233614187 0.09028570140500 14.007 > 15 16 N 0.78657218527743 0.97340766385813 0.90971429859500 14.007 > 16 *17 N 0.77931244118724 0.40335964088375 0.05366307629841 14.007 > 17 18 N 0.27931244118724 0.09664035911624 0.94633692370159 14.007 > 18 19 N 0.22068755881276 0.90335964088375 0.44633692370159 14.007 > 19 20 N 0.72068755881276 0.59664035911625 0.55366307629841 14.007 > 20 *21 N 0.86943320544734 0.37228518472113 0.44145103279594 14.007 > 21 22 N 0.36943320544733 0.12771481527887 0.55854896720406 14.007 > 22 23 N 0.13056679455267 0.87228518472113 0.05854896720406 14.007 > 23 24 N 0.63056679455266 0.62771481527887 0.94145103279594 14.007 > 24 *25 N 0.87932484292971 0.12636478404331 0.06561271118957 14.007 > 25 26 N 0.37932484292971 0.37363521595669 0.93438728881043 14.007 > 26 27 N 0.12067515707029 0.62636478404331 0.43438728881043 14.007 > 27 28 N 0.62067515707029 0.87363521595669 0.56561271118957 14.007 > 28 *29 N 0.97465054556091 0.33471385679394 0.20487900008724 14.007 > 29 30 N 0.47465054556091 0.16528614320606 0.79512099991276 14.007 > 30 31 N 0.02534945443909 0.83471385679394 0.29512099991276 14.007 > 31 32 N 0.52534945443909 0.66528614320606 0.70487900008724 14.007 > 32 *33 Al 0.51584464804208 0.49171727139455 0.00708512009834 26.982 > 33 34 Al 0.01584464804208 0.00828272860545 0.99291487990166 26.982 > 34 35 Al 0.48415535195792 0.99171727139455 0.49291487990166 26.982 > 35 36 Al 0.98415535195792 0.50828272860545 0.50708512009834 26.982 > 36 *37 Al 0.75754464438587 0.75103244463877 0.24873857482533 26.982 > 37 38 Al 0.25754464438587 0.74896755536123 0.75126142517467 26.982 > 38 39 Al 0.24245535561413 0.25103244463877 0.25126142517467 26.982 > 39 40 Al 0.74245535561413 0.24896755536123 0.74873857482533 26.982 > 40 *41 Al 0.76101015629705 0.25622028294566 0.12835253769396 26.982 > 41 42 Al 0.26101015629705 0.24377971705434 0.87164746230604 26.982 > 42 43 Al 0.23898984370295 0.75622028294566 0.37164746230604 26.982 > 43 44 Al 0.73898984370295 0.74377971705434 0.62835253769396 26.982 > 44 *45 Al 0.99445148517789 0.48215336342142 0.13066536715599 26.982 > 45 46 Al 0.49445148517789 0.01784663657858 0.86933463284401 26.982 > 46 47 Al 0.00554851482211 0.98215336342142 0.36933463284401 26.982 > 47 48 Al 0.50554851482211 0.51784663657858 0.63066536715599 26.982 > 48 *49 Ca 0.21969380771735 0.26738620941587 0.05821498219535 40.078 > 49 50 Ca 0.71969380771735 0.23261379058413 0.94178501780465 40.078 > 50 51 Ca 0.78030619228265 0.76738620941587 0.44178501780466 40.078 > 51 52 Ca 0.28030619228265 0.73261379058413 0.55821498219535 40.078 > 52 *53 Ca 0.49745538169225 0.01128747241438 0.07406068421742 40.078 > 53 54 Ca 0.99745538169225 0.48871252758562 0.92593931578258 40.078 > 54 55 Ca 0.50254461830775 0.51128747241438 0.42593931578258 40.078 > 55 56 Ca 0.00254461830775 0.98871252758562 0.57406068421742 40.078 > 56 *57 Ca 0.53960486882361 0.47285136803949 0.20448618607017 40.078 > 57 58 Ca 0.03960486882361 0.02714863196051 0.79551381392983 40.078 > 58 59 Ca 0.46039513117639 0.97285136803949 0.29551381392983 40.078 > 59 60 Ca 0.96039513117639 0.52714863196051 0.70448618607017 40.078 > 60 *61 Ca 0.70831791760151 0.25770351263181 0.56201474662585 40.078 > 61 62 Ca 0.20831791760151 0.24229648736819 0.43798525337415 40.078 > 62 63 Ca 0.29168208239849 0.75770351263181 0.93798525337415 40.078 > 63 64 Ca 0.79168208239849 0.74229648736819 0.06201474662585 40.078 > 64 *65 Ca 0.73822180922034 0.23634870207722 0.33330417051589 40.078 > 65 66 Ca 0.23822180922034 0.26365129792277 0.66669582948411 40.078 > 66 67 Ca 0.26177819077966 0.73634870207723 0.16669582948411 40.078 > 67 68 Ca 0.76177819077966 0.76365129792277 0.83330417051589 40.078 > 68 *69 Ca 0.96802032050893 0.99113125085843 0.17977030815428 40.078 > 69 70 Ca 0.46802032050893 0.50886874914157 0.82022969184572 40.078 > 70 71 Ca 0.03197967949107 0.49113125085843 0.32022969184572 40.078 > 71 72 Ca 0.53197967949107 0.00886874914157 0.67977030815428 40.078 > 72 -------------------------------- super cell -------------------------------- Lattice vectors: a 11.583000039999998 0.000000000000000 0.000000000000000 b 0.000000000000000 10.642677890000000 0.000000000000000 c 0.000000000000000 0.000000000000000 15.767593989999996 Atomic positions (fractional): *1 N 0.19061228159813 0.36691847091309 0.32751954360373 14.007 > 1 2 N 0.69061228159813 0.36691847091309 0.32751954360373 14.007 > 1 3 N 0.44061228159813 0.13308152908691 0.67248045639627 14.007 > 2 4 N 0.94061228159813 0.13308152908691 0.67248045639627 14.007 > 2 5 N 0.30938771840187 0.86691847091309 0.17248045639627 14.007 > 3 6 N 0.80938771840187 0.86691847091309 0.17248045639627 14.007 > 3 7 N 0.05938771840187 0.63308152908691 0.82751954360373 14.007 > 4 8 N 0.55938771840187 0.63308152908691 0.82751954360373 14.007 > 4 *9 N 0.23643493466468 0.20721933744263 0.17086512048139 14.007 > 5 10 N 0.73643493466468 0.20721933744263 0.17086512048139 14.007 > 5 11 N 0.48643493466468 0.29278066255737 0.82913487951861 14.007 > 6 12 N 0.98643493466468 0.29278066255737 0.82913487951861 14.007 > 6 13 N 0.26356506533532 0.70721933744263 0.32913487951861 14.007 > 7 14 N 0.76356506533532 0.70721933744263 0.32913487951861 14.007 > 7 15 N 0.01356506533532 0.79278066255737 0.67086512048139 14.007 > 8 16 N 0.51356506533532 0.79278066255737 0.67086512048139 14.007 > 8 *17 N 0.31434742774918 0.38590517543416 0.68978445677174 14.007 > 9 18 N 0.81434742774918 0.38590517543416 0.68978445677174 14.007 > 9 19 N 0.06434742774918 0.11409482456584 0.31021554322826 14.007 > 10 20 N 0.56434742774918 0.11409482456584 0.31021554322826 14.007 > 10 21 N 0.18565257225082 0.88590517543416 0.81021554322826 14.007 > 11 22 N 0.68565257225082 0.88590517543416 0.81021554322826 14.007 > 11 23 N 0.43565257225082 0.61409482456584 0.18978445677174 14.007 > 12 24 N 0.93565257225082 0.61409482456584 0.18978445677174 14.007 > 12 *25 N 0.35671390736128 0.02659233614187 0.40971429859500 14.007 > 13 26 N 0.85671390736129 0.02659233614187 0.40971429859500 14.007 > 13 27 N 0.10671390736128 0.47340766385813 0.59028570140500 14.007 > 14 28 N 0.60671390736129 0.47340766385813 0.59028570140500 14.007 > 14 29 N 0.14328609263872 0.52659233614187 0.09028570140500 14.007 > 15 30 N 0.64328609263871 0.52659233614187 0.09028570140500 14.007 > 15 31 N 0.39328609263872 0.97340766385813 0.90971429859500 14.007 > 16 32 N 0.89328609263871 0.97340766385813 0.90971429859500 14.007 > 16 *33 N 0.38965622059362 0.40335964088375 0.05366307629841 14.007 > 17 34 N 0.88965622059362 0.40335964088375 0.05366307629841 14.007 > 17 35 N 0.13965622059362 0.09664035911624 0.94633692370159 14.007 > 18 36 N 0.63965622059362 0.09664035911624 0.94633692370159 14.007 > 18 37 N 0.11034377940638 0.90335964088375 0.44633692370159 14.007 > 19 38 N 0.61034377940638 0.90335964088375 0.44633692370159 14.007 > 19 39 N 0.36034377940638 0.59664035911625 0.55366307629841 14.007 > 20 40 N 0.86034377940638 0.59664035911625 0.55366307629841 14.007 > 20 *41 N 0.43471660272367 0.37228518472113 0.44145103279594 14.007 > 21 42 N 0.93471660272367 0.37228518472113 0.44145103279594 14.007 > 21 43 N 0.18471660272367 0.12771481527887 0.55854896720406 14.007 > 22 44 N 0.68471660272367 0.12771481527887 0.55854896720406 14.007 > 22 45 N 0.06528339727633 0.87228518472113 0.05854896720406 14.007 > 23 46 N 0.56528339727633 0.87228518472113 0.05854896720406 14.007 > 23 47 N 0.31528339727633 0.62771481527887 0.94145103279594 14.007 > 24 48 N 0.81528339727633 0.62771481527887 0.94145103279594 14.007 > 24 *49 N 0.43966242146486 0.12636478404331 0.06561271118957 14.007 > 25 50 N 0.93966242146486 0.12636478404331 0.06561271118957 14.007 > 25 51 N 0.18966242146486 0.37363521595669 0.93438728881043 14.007 > 26 52 N 0.68966242146486 0.37363521595669 0.93438728881043 14.007 > 26 53 N 0.06033757853514 0.62636478404331 0.43438728881043 14.007 > 27 54 N 0.56033757853514 0.62636478404331 0.43438728881043 14.007 > 27 55 N 0.31033757853514 0.87363521595669 0.56561271118957 14.007 > 28 56 N 0.81033757853514 0.87363521595669 0.56561271118957 14.007 > 28 *57 N 0.48732527278045 0.33471385679394 0.20487900008724 14.007 > 29 58 N 0.98732527278045 0.33471385679394 0.20487900008724 14.007 > 29 59 N 0.23732527278045 0.16528614320606 0.79512099991276 14.007 > 30 60 N 0.73732527278045 0.16528614320606 0.79512099991276 14.007 > 30 61 N 0.01267472721955 0.83471385679394 0.29512099991276 14.007 > 31 62 N 0.51267472721955 0.83471385679394 0.29512099991276 14.007 > 31 63 N 0.26267472721955 0.66528614320606 0.70487900008724 14.007 > 32 64 N 0.76267472721955 0.66528614320606 0.70487900008724 14.007 > 32 *65 Al 0.25792232402104 0.49171727139455 0.00708512009834 26.982 > 33 66 Al 0.75792232402104 0.49171727139455 0.00708512009834 26.982 > 33 67 Al 0.00792232402104 0.00828272860545 0.99291487990166 26.982 > 34 68 Al 0.50792232402104 0.00828272860545 0.99291487990166 26.982 > 34 69 Al 0.24207767597896 0.99171727139455 0.49291487990166 26.982 > 35 70 Al 0.74207767597896 0.99171727139455 0.49291487990166 26.982 > 35 71 Al 0.49207767597896 0.50828272860545 0.50708512009834 26.982 > 36 72 Al 0.99207767597896 0.50828272860545 0.50708512009834 26.982 > 36 *73 Al 0.37877232219293 0.75103244463877 0.24873857482533 26.982 > 37 74 Al 0.87877232219293 0.75103244463877 0.24873857482533 26.982 > 37 75 Al 0.12877232219293 0.74896755536123 0.75126142517467 26.982 > 38 76 Al 0.62877232219293 0.74896755536123 0.75126142517467 26.982 > 38 77 Al 0.12122767780707 0.25103244463877 0.25126142517467 26.982 > 39 78 Al 0.62122767780707 0.25103244463877 0.25126142517467 26.982 > 39 79 Al 0.37122767780707 0.24896755536123 0.74873857482533 26.982 > 40 80 Al 0.87122767780707 0.24896755536123 0.74873857482533 26.982 > 40 *81 Al 0.38050507814853 0.25622028294566 0.12835253769396 26.982 > 41 82 Al 0.88050507814853 0.25622028294566 0.12835253769396 26.982 > 41 83 Al 0.13050507814853 0.24377971705434 0.87164746230604 26.982 > 42 84 Al 0.63050507814853 0.24377971705434 0.87164746230604 26.982 > 42 85 Al 0.11949492185147 0.75622028294566 0.37164746230604 26.982 > 43 86 Al 0.61949492185147 0.75622028294566 0.37164746230604 26.982 > 43 87 Al 0.36949492185147 0.74377971705434 0.62835253769396 26.982 > 44 88 Al 0.86949492185147 0.74377971705434 0.62835253769396 26.982 > 44 *89 Al 0.49722574258895 0.48215336342142 0.13066536715599 26.982 > 45 90 Al 0.99722574258895 0.48215336342142 0.13066536715599 26.982 > 45 91 Al 0.24722574258895 0.01784663657858 0.86933463284401 26.982 > 46 92 Al 0.74722574258895 0.01784663657858 0.86933463284401 26.982 > 46 93 Al 0.00277425741105 0.98215336342142 0.36933463284401 26.982 > 47 94 Al 0.50277425741105 0.98215336342142 0.36933463284401 26.982 > 47 95 Al 0.25277425741105 0.51784663657858 0.63066536715599 26.982 > 48 96 Al 0.75277425741105 0.51784663657858 0.63066536715599 26.982 > 48 *97 Ca 0.10984690385867 0.26738620941587 0.05821498219535 40.078 > 49 98 Ca 0.60984690385867 0.26738620941587 0.05821498219535 40.078 > 49 99 Ca 0.35984690385867 0.23261379058413 0.94178501780465 40.078 > 50 100 Ca 0.85984690385867 0.23261379058413 0.94178501780465 40.078 > 50 101 Ca 0.39015309614133 0.76738620941587 0.44178501780466 40.078 > 51 102 Ca 0.89015309614133 0.76738620941587 0.44178501780466 40.078 > 51 103 Ca 0.14015309614133 0.73261379058413 0.55821498219535 40.078 > 52 104 Ca 0.64015309614133 0.73261379058413 0.55821498219535 40.078 > 52 *105 Ca 0.24872769084613 0.01128747241438 0.07406068421742 40.078 > 53 106 Ca 0.74872769084613 0.01128747241438 0.07406068421742 40.078 > 53 107 Ca 0.49872769084613 0.48871252758562 0.92593931578258 40.078 > 54 108 Ca 0.99872769084613 0.48871252758562 0.92593931578258 40.078 > 54 109 Ca 0.25127230915387 0.51128747241438 0.42593931578258 40.078 > 55 110 Ca 0.75127230915387 0.51128747241438 0.42593931578258 40.078 > 55 111 Ca 0.00127230915387 0.98871252758562 0.57406068421742 40.078 > 56 112 Ca 0.50127230915387 0.98871252758562 0.57406068421742 40.078 > 56 *113 Ca 0.26980243441180 0.47285136803949 0.20448618607017 40.078 > 57 114 Ca 0.76980243441180 0.47285136803949 0.20448618607017 40.078 > 57 115 Ca 0.01980243441180 0.02714863196051 0.79551381392983 40.078 > 58 116 Ca 0.51980243441180 0.02714863196051 0.79551381392983 40.078 > 58 117 Ca 0.23019756558820 0.97285136803949 0.29551381392983 40.078 > 59 118 Ca 0.73019756558820 0.97285136803949 0.29551381392983 40.078 > 59 119 Ca 0.48019756558820 0.52714863196051 0.70448618607017 40.078 > 60 120 Ca 0.98019756558820 0.52714863196051 0.70448618607017 40.078 > 60 *121 Ca 0.35415895880075 0.25770351263181 0.56201474662585 40.078 > 61 122 Ca 0.85415895880075 0.25770351263181 0.56201474662585 40.078 > 61 123 Ca 0.10415895880075 0.24229648736819 0.43798525337415 40.078 > 62 124 Ca 0.60415895880075 0.24229648736819 0.43798525337415 40.078 > 62 125 Ca 0.14584104119925 0.75770351263181 0.93798525337415 40.078 > 63 126 Ca 0.64584104119925 0.75770351263181 0.93798525337415 40.078 > 63 127 Ca 0.39584104119925 0.74229648736819 0.06201474662585 40.078 > 64 128 Ca 0.89584104119925 0.74229648736819 0.06201474662585 40.078 > 64 *129 Ca 0.36911090461017 0.23634870207722 0.33330417051589 40.078 > 65 130 Ca 0.86911090461017 0.23634870207722 0.33330417051589 40.078 > 65 131 Ca 0.11911090461017 0.26365129792277 0.66669582948411 40.078 > 66 132 Ca 0.61911090461017 0.26365129792277 0.66669582948411 40.078 > 66 133 Ca 0.13088909538983 0.73634870207723 0.16669582948411 40.078 > 67 134 Ca 0.63088909538983 0.73634870207723 0.16669582948411 40.078 > 67 135 Ca 0.38088909538983 0.76365129792277 0.83330417051589 40.078 > 68 136 Ca 0.88088909538983 0.76365129792277 0.83330417051589 40.078 > 68 *137 Ca 0.48401016025447 0.99113125085843 0.17977030815428 40.078 > 69 138 Ca 0.98401016025447 0.99113125085843 0.17977030815428 40.078 > 69 139 Ca 0.23401016025447 0.50886874914157 0.82022969184572 40.078 > 70 140 Ca 0.73401016025447 0.50886874914157 0.82022969184572 40.078 > 70 141 Ca 0.01598983974553 0.49113125085843 0.32022969184572 40.078 > 71 142 Ca 0.51598983974553 0.49113125085843 0.32022969184572 40.078 > 71 143 Ca 0.26598983974553 0.00886874914157 0.67977030815428 40.078 > 72 144 Ca 0.76598983974553 0.00886874914157 0.67977030815428 40.078 > 72 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 5.7745314 0.0000000 0.0000000 0.0000000 5.6975006 0.0000000 0.0000000 0.0000000 5.5985791 -------------------------- Born effective charges -------------------------- 1 N -2.8826153 -0.1154729 -0.0571486 -0.0944449 -2.9799052 -0.3030230 -0.0421344 -0.2367564 -3.0507360 2 N -2.8826153 0.1154729 0.0571486 0.0944449 -2.9799052 -0.3030230 0.0421344 -0.2367564 -3.0507360 3 N -2.8826153 0.1154729 -0.0571486 0.0944449 -2.9799052 0.3030230 -0.0421344 0.2367564 -3.0507360 4 N -2.8826153 -0.1154729 0.0571486 -0.0944449 -2.9799052 0.3030230 0.0421344 0.2367564 -3.0507360 5 N -3.1263787 -0.0980674 0.4441636 -0.0180425 -2.5245353 -0.1777867 0.3218046 -0.0873907 -2.7640854 6 N -3.1263787 0.0980674 -0.4441636 0.0180425 -2.5245353 -0.1777867 -0.3218046 -0.0873907 -2.7640854 7 N -3.1263787 0.0980674 0.4441636 0.0180425 -2.5245353 0.1777867 0.3218046 0.0873907 -2.7640854 8 N -3.1263787 -0.0980674 -0.4441636 -0.0180425 -2.5245353 0.1777867 -0.3218046 0.0873907 -2.7640854 9 N -2.6321716 0.2925456 -0.2937619 0.2591673 -3.3638244 0.4575436 -0.2309561 0.3322153 -2.5179177 10 N -2.6321716 -0.2925456 0.2937619 -0.2591673 -3.3638244 0.4575436 0.2309561 0.3322153 -2.5179177 11 N -2.6321716 -0.2925456 -0.2937619 -0.2591673 -3.3638244 -0.4575436 -0.2309561 -0.3322153 -2.5179177 12 N -2.6321716 0.2925456 0.2937619 0.2591673 -3.3638244 -0.4575436 0.2309561 -0.3322153 -2.5179177 13 N -3.2095991 0.0881865 0.4673689 -0.0403524 -2.5704776 0.1703483 0.3904140 0.0801781 -2.6978328 14 N -3.2095991 -0.0881865 -0.4673689 0.0403524 -2.5704776 0.1703483 -0.3904140 0.0801781 -2.6978328 15 N -3.2095991 -0.0881865 0.4673689 0.0403524 -2.5704776 -0.1703483 0.3904140 -0.0801781 -2.6978328 16 N -3.2095991 0.0881865 -0.4673689 -0.0403524 -2.5704776 -0.1703483 -0.3904140 -0.0801781 -2.6978328 17 N -2.8519576 0.1030194 -0.3509050 -0.0823351 -2.8189765 0.2122764 -0.2461739 0.1647852 -2.9173251 18 N -2.8519576 -0.1030194 0.3509050 0.0823351 -2.8189765 0.2122764 0.2461739 0.1647852 -2.9173251 19 N -2.8519576 -0.1030194 -0.3509050 0.0823351 -2.8189765 -0.2122764 -0.2461739 -0.1647852 -2.9173251 20 N -2.8519576 0.1030194 0.3509050 -0.0823351 -2.8189765 -0.2122764 0.2461739 -0.1647852 -2.9173251 21 N -2.7625875 -0.0836079 -0.0949292 -0.1195725 -3.0638777 -0.3556628 -0.0058926 -0.2476163 -2.9433812 22 N -2.7625875 0.0836079 0.0949292 0.1195725 -3.0638777 -0.3556628 0.0058926 -0.2476163 -2.9433812 23 N -2.7625875 0.0836079 -0.0949292 0.1195725 -3.0638777 0.3556628 -0.0058926 0.2476163 -2.9433812 24 N -2.7625875 -0.0836079 0.0949292 -0.1195725 -3.0638777 0.3556628 0.0058926 0.2476163 -2.9433812 25 N -2.6785168 0.2783435 0.2487062 0.2382983 -3.2096683 -0.3947689 0.2237248 -0.2216816 -2.7361028 26 N -2.6785168 -0.2783435 -0.2487062 -0.2382983 -3.2096683 -0.3947689 -0.2237248 -0.2216816 -2.7361028 27 N -2.6785168 -0.2783435 0.2487062 -0.2382983 -3.2096683 0.3947689 0.2237248 0.2216816 -2.7361028 28 N -2.6785168 0.2783435 -0.2487062 0.2382983 -3.2096683 0.3947689 -0.2237248 0.2216816 -2.7361028 29 N -2.9112776 0.0538148 -0.3939203 -0.0611275 -2.7167004 0.1855826 -0.3263872 0.0831234 -2.9572019 30 N -2.9112776 -0.0538148 0.3939203 0.0611275 -2.7167004 0.1855826 0.3263872 0.0831234 -2.9572019 31 N -2.9112776 -0.0538148 -0.3939203 0.0611275 -2.7167004 -0.1855826 -0.3263872 -0.0831234 -2.9572019 32 N -2.9112776 0.0538148 0.3939203 -0.0611275 -2.7167004 -0.1855826 0.3263872 -0.0831234 -2.9572019 33 Al 2.4862013 0.1173005 -0.1528035 0.1125634 2.3448138 -0.1269221 -0.0494308 -0.1861620 2.4138884 34 Al 2.4862013 -0.1173005 0.1528035 -0.1125634 2.3448138 -0.1269221 0.0494308 -0.1861620 2.4138884 35 Al 2.4862013 -0.1173005 -0.1528035 -0.1125634 2.3448138 0.1269221 -0.0494308 0.1861620 2.4138884 36 Al 2.4862013 0.1173005 0.1528035 0.1125634 2.3448138 0.1269221 0.0494308 0.1861620 2.4138884 37 Al 2.4912305 -0.1047289 -0.1569196 -0.1212146 2.3329964 0.0048280 -0.0627313 0.0227386 2.4075809 38 Al 2.4912305 0.1047289 0.1569196 0.1212146 2.3329964 0.0048280 0.0627313 0.0227386 2.4075809 39 Al 2.4912305 0.1047289 -0.1569196 0.1212146 2.3329964 -0.0048280 -0.0627313 -0.0227386 2.4075809 40 Al 2.4912305 -0.1047289 0.1569196 -0.1212146 2.3329964 -0.0048280 0.0627313 -0.0227386 2.4075809 41 Al 2.3144951 0.1959461 -0.2222600 0.2773336 2.3767697 0.1882540 -0.2958312 0.1848301 1.9637978 42 Al 2.3144951 -0.1959461 0.2222600 -0.2773336 2.3767697 0.1882540 0.2958312 0.1848301 1.9637978 43 Al 2.3144951 -0.1959461 -0.2222600 -0.2773336 2.3767697 -0.1882540 -0.2958312 -0.1848301 1.9637978 44 Al 2.3144951 0.1959461 0.2222600 0.2773336 2.3767697 -0.1882540 0.2958312 -0.1848301 1.9637978 45 Al 2.3368591 0.0987212 -0.2187302 0.2812093 2.4734855 0.2077869 -0.2980523 0.1989554 1.8749408 46 Al 2.3368591 -0.0987212 0.2187302 -0.2812093 2.4734855 0.2077869 0.2980523 0.1989554 1.8749408 47 Al 2.3368591 -0.0987212 -0.2187302 -0.2812093 2.4734855 -0.2077869 -0.2980523 -0.1989554 1.8749408 48 Al 2.3368591 0.0987212 0.2187302 0.2812093 2.4734855 -0.2077869 0.2980523 -0.1989554 1.8749408 49 Ca 2.2282438 0.0948777 -0.0522835 0.0817310 2.1365207 0.1363975 -0.0355654 0.0924821 2.3160183 50 Ca 2.2282438 -0.0948777 0.0522835 -0.0817310 2.1365207 0.1363975 0.0355654 0.0924821 2.3160183 51 Ca 2.2282438 -0.0948777 -0.0522835 -0.0817310 2.1365207 -0.1363975 -0.0355654 -0.0924821 2.3160183 52 Ca 2.2282438 0.0948777 0.0522835 0.0817310 2.1365207 -0.1363975 0.0355654 -0.0924821 2.3160183 53 Ca 2.3801819 0.1167040 0.2082731 0.1067757 2.1739024 -0.2751226 0.2167146 -0.2315576 2.2652844 54 Ca 2.3801819 -0.1167040 -0.2082731 -0.1067757 2.1739024 -0.2751226 -0.2167146 -0.2315576 2.2652844 55 Ca 2.3801819 -0.1167040 0.2082731 -0.1067757 2.1739024 0.2751226 0.2167146 0.2315576 2.2652844 56 Ca 2.3801819 0.1167040 -0.2082731 0.1067757 2.1739024 0.2751226 -0.2167146 0.2315576 2.2652844 57 Ca 2.3070728 0.1119564 -0.0498187 0.1082606 2.3044071 -0.0216015 -0.0932610 -0.0536461 2.2507727 58 Ca 2.3070728 -0.1119564 0.0498187 -0.1082606 2.3044071 -0.0216015 0.0932610 -0.0536461 2.2507727 59 Ca 2.3070728 -0.1119564 -0.0498187 -0.1082606 2.3044071 0.0216015 -0.0932610 0.0536461 2.2507727 60 Ca 2.3070728 0.1119564 0.0498187 0.1082606 2.3044071 0.0216015 0.0932610 0.0536461 2.2507727 61 Ca 2.0616288 0.1107527 -0.0065344 0.0448342 2.5068252 -0.1240242 -0.1161572 -0.0800804 2.3527299 62 Ca 2.0616288 -0.1107527 0.0065344 -0.0448342 2.5068252 -0.1240242 0.1161572 -0.0800804 2.3527299 63 Ca 2.0616288 -0.1107527 -0.0065344 -0.0448342 2.5068252 0.1240242 -0.1161572 0.0800804 2.3527299 64 Ca 2.0616288 0.1107527 0.0065344 0.0448342 2.5068252 0.1240242 0.1161572 0.0800804 2.3527299 65 Ca 2.3335555 -0.1322119 0.0715216 -0.1224453 2.1535777 0.0663335 0.1265855 0.0265416 2.2163243 66 Ca 2.3335555 0.1322119 -0.0715216 0.1224453 2.1535777 0.0663335 -0.1265855 0.0265416 2.2163243 67 Ca 2.3335555 0.1322119 0.0715216 0.1224453 2.1535777 -0.0663335 0.1265855 -0.0265416 2.2163243 68 Ca 2.3335555 -0.1322119 -0.0715216 -0.1224453 2.1535777 -0.0663335 -0.1265855 -0.0265416 2.2163243 69 Ca 2.1156355 0.1143510 0.0290318 0.0317016 2.4446669 -0.0967746 0.1403488 -0.1888860 2.5232455 70 Ca 2.1156355 -0.1143510 -0.0290318 -0.0317016 2.4446669 -0.0967746 -0.1403488 -0.1888860 2.5232455 71 Ca 2.1156355 -0.1143510 0.0290318 -0.0317016 2.4446669 0.0967746 0.1403488 0.1888860 2.5232455 72 Ca 2.1156355 0.1143510 -0.0290318 0.0317016 2.4446669 0.0967746 -0.1403488 0.1888860 2.5232455 ---------------------------------------------------------------------------- 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) 228 eigenvectors found. (2) Complementary block size: 46 (2) Compute compressed projector. (2) Use standard solver. (2) 22 eigenvectors found. (1) 476 eigenvectors found. (1) Block: 2592 / 2592 (2) Block: 250 / 592 (2) 232 eigenvectors found. (2) Block: 500 / 592 (2) 236 eigenvectors found. (2) Block: 592 / 592 (2) 71 eigenvectors found. (2) Complementary block size: 53 (2) Compute compressed projector. (2) Use standard solver. (2) 26 eigenvectors found. (1) 565 eigenvectors found. (1) Complementary block size: 151 (1) Compute compressed projector. (1) Use standard solver. (1) 115 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) 214 eigenvectors found. (2) Complementary block size: 69 (2) Compute compressed projector. (2) Use standard solver. (2) 33 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) 222 eigenvectors found. (2) Complementary block size: 58 (2) Compute compressed projector. (2) Use standard solver. (2) 28 eigenvectors found. (1) 470 eigenvectors found. (1) Block: 2000 / 2592 (2) Block: 250 / 500 (2) 226 eigenvectors found. (2) Block: 500 / 500 (2) 228 eigenvectors found. (2) Complementary block size: 46 (2) Compute compressed projector. (2) Use standard solver. (2) 22 eigenvectors found. (1) 476 eigenvectors found. (1) Block: 2592 / 2592 (2) Block: 250 / 592 (2) 232 eigenvectors found. (2) Block: 500 / 592 (2) 236 eigenvectors found. (2) Block: 592 / 592 (2) 71 eigenvectors found. (2) Complementary block size: 53 (2) Compute compressed projector. (2) Use standard solver. (2) 26 eigenvectors found. (1) 565 eigenvectors found. (1) Complementary block size: 151 (1) Compute compressed projector. (1) Use standard solver. (1) 115 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) 220 eigenvectors found. (2) Block: 500 / 500 (2) 214 eigenvectors found. (2) Complementary block size: 66 (2) Compute compressed projector. (2) Use standard solver. (2) 30 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) 222 eigenvectors found. (2) Complementary block size: 58 (2) Compute compressed projector. (2) Use standard solver. (2) 28 eigenvectors found. (1) 470 eigenvectors found. (1) Block: 2000 / 2592 (2) Block: 250 / 500 (2) 226 eigenvectors found. (2) Block: 500 / 500 (2) 228 eigenvectors found. (2) Complementary block size: 46 (2) Compute compressed projector. (2) Use standard solver. (2) 22 eigenvectors found. (1) 476 eigenvectors found. (1) Block: 2592 / 2592 (2) Block: 250 / 592 (2) 232 eigenvectors found. (2) Block: 500 / 592 (2) 236 eigenvectors found. (2) Block: 592 / 592 (2) 84 eigenvectors found. (2) Complementary block size: 40 (2) Compute compressed projector. (2) Use standard solver. (2) 22 eigenvectors found. (1) 574 eigenvectors found. (1) Complementary block size: 142 (1) Compute compressed projector. (1) Use standard solver. (1) 106 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) 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: 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) 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. Tree of FC basis block matrices: - (11826, 11664), data: False |-- (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 |-- (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 |-- (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, 106), data: (2592, 142) @ (142, 106) |-- (592, 574), data: False |-- (592, 22), data: (592, 40) @ (40, 22) |-- (92, 84), data: True |-- (250, 236), data: True |-- (250, 232), data: True |-- (500, 476), data: False |-- (500, 22), data: (500, 46) @ (46, 22) |-- (250, 228), data: True |-- (250, 226), data: True |-- (500, 470), data: False |-- (500, 28), data: (500, 58) @ (58, 28) |-- (250, 222), 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, 30), data: (500, 66) @ (66, 30) |-- (250, 214), data: True |-- (250, 220), data: True |-- (2592, 2556), data: False |-- (2592, 115), data: (2592, 151) @ (151, 115) |-- (592, 565), data: False |-- (592, 26), data: (592, 53) @ (53, 26) |-- (92, 71), data: True |-- (250, 236), data: True |-- (250, 232), data: True |-- (500, 476), data: False |-- (500, 22), data: (500, 46) @ (46, 22) |-- (250, 228), data: True |-- (250, 226), data: True |-- (500, 470), data: False |-- (500, 28), data: (500, 58) @ (58, 28) |-- (250, 222), 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, 33), data: (500, 69) @ (69, 33) |-- (250, 214), data: True |-- (250, 217), data: True |-- (2592, 2556), data: False |-- (2592, 115), data: (2592, 151) @ (151, 115) |-- (592, 565), data: False |-- (592, 26), data: (592, 53) @ (53, 26) |-- (92, 71), data: True |-- (250, 236), data: True |-- (250, 232), data: True |-- (500, 476), data: False |-- (500, 22), data: (500, 46) @ (46, 22) |-- (250, 228), 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: 4.010 Solver_block: 200 / 2160 - Time: 3.463 Solver_block: 300 / 2160 - Time: 3.469 Solver_block: 400 / 2160 - Time: 3.488 Solver_block: 500 / 2160 - Time: 3.480 Solver_block: 600 / 2160 - Time: 3.482 Solver_block: 700 / 2160 - Time: 3.485 Solver_block: 800 / 2160 - Time: 3.491 Solver_block: 900 / 2160 - Time: 3.483 Solver_block: 1000 / 2160 - Time: 3.472 Solver_block: 1100 / 2160 - Time: 3.471 Solver_block: 1200 / 2160 - Time: 3.490 Solver_block: 1300 / 2160 - Time: 3.479 Solver_block: 1400 / 2160 - Time: 3.473 Solver_block: 1500 / 2160 - Time: 3.484 Solver_block: 1600 / 2160 - Time: 3.472 Solver_block: 1700 / 2160 - Time: 3.476 Solver_block: 1800 / 2160 - Time: 3.500 Solver_block: 1900 / 2160 - Time: 3.490 Solver_block: 2000 / 2160 - Time: 3.477 Solver_block: 2100 / 2160 - Time: 3.487 Solver_block: 2160 / 2160 - Time: 2.219 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 78.305 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (yy) -0.00000000 (yy) 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) 228 eigenvectors found. (2) Complementary block size: 46 (2) Compute compressed projector. (2) Use standard solver. (2) 22 eigenvectors found. (1) 476 eigenvectors found. (1) Block: 2592 / 2592 (2) Block: 250 / 592 (2) 232 eigenvectors found. (2) Block: 500 / 592 (2) 236 eigenvectors found. (2) Block: 592 / 592 (2) 71 eigenvectors found. (2) Complementary block size: 53 (2) Compute compressed projector. (2) Use standard solver. (2) 26 eigenvectors found. (1) 565 eigenvectors found. (1) Complementary block size: 151 (1) Compute compressed projector. (1) Use standard solver. (1) 115 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) 214 eigenvectors found. (2) Complementary block size: 69 (2) Compute compressed projector. (2) Use standard solver. (2) 33 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) 222 eigenvectors found. (2) Complementary block size: 58 (2) Compute compressed projector. (2) Use standard solver. (2) 28 eigenvectors found. (1) 470 eigenvectors found. (1) Block: 2000 / 2592 (2) Block: 250 / 500 (2) 226 eigenvectors found. (2) Block: 500 / 500 (2) 228 eigenvectors found. (2) Complementary block size: 46 (2) Compute compressed projector. (2) Use standard solver. (2) 22 eigenvectors found. (1) 476 eigenvectors found. (1) Block: 2592 / 2592 (2) Block: 250 / 592 (2) 232 eigenvectors found. (2) Block: 500 / 592 (2) 236 eigenvectors found. (2) Block: 592 / 592 (2) 71 eigenvectors found. (2) Complementary block size: 53 (2) Compute compressed projector. (2) Use standard solver. (2) 26 eigenvectors found. (1) 565 eigenvectors found. (1) Complementary block size: 151 (1) Compute compressed projector. (1) Use standard solver. (1) 115 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) 220 eigenvectors found. (2) Block: 500 / 500 (2) 214 eigenvectors found. (2) Complementary block size: 66 (2) Compute compressed projector. (2) Use standard solver. (2) 30 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) 222 eigenvectors found. (2) Complementary block size: 58 (2) Compute compressed projector. (2) Use standard solver. (2) 28 eigenvectors found. (1) 470 eigenvectors found. (1) Block: 2000 / 2592 (2) Block: 250 / 500 (2) 226 eigenvectors found. (2) Block: 500 / 500 (2) 228 eigenvectors found. (2) Complementary block size: 46 (2) Compute compressed projector. (2) Use standard solver. (2) 22 eigenvectors found. (1) 476 eigenvectors found. (1) Block: 2592 / 2592 (2) Block: 250 / 592 (2) 232 eigenvectors found. (2) Block: 500 / 592 (2) 236 eigenvectors found. (2) Block: 592 / 592 (2) 84 eigenvectors found. (2) Complementary block size: 40 (2) Compute compressed projector. (2) Use standard solver. (2) 22 eigenvectors found. (1) 574 eigenvectors found. (1) Complementary block size: 142 (1) Compute compressed projector. (1) Use standard solver. (1) 106 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) 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: 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) 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. Tree of FC basis block matrices: - (11826, 11664), data: False |-- (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 |-- (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 |-- (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, 106), data: (2592, 142) @ (142, 106) |-- (592, 574), data: False |-- (592, 22), data: (592, 40) @ (40, 22) |-- (92, 84), data: True |-- (250, 236), data: True |-- (250, 232), data: True |-- (500, 476), data: False |-- (500, 22), data: (500, 46) @ (46, 22) |-- (250, 228), data: True |-- (250, 226), data: True |-- (500, 470), data: False |-- (500, 28), data: (500, 58) @ (58, 28) |-- (250, 222), 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, 30), data: (500, 66) @ (66, 30) |-- (250, 214), data: True |-- (250, 220), data: True |-- (2592, 2556), data: False |-- (2592, 115), data: (2592, 151) @ (151, 115) |-- (592, 565), data: False |-- (592, 26), data: (592, 53) @ (53, 26) |-- (92, 71), data: True |-- (250, 236), data: True |-- (250, 232), data: True |-- (500, 476), data: False |-- (500, 22), data: (500, 46) @ (46, 22) |-- (250, 228), data: True |-- (250, 226), data: True |-- (500, 470), data: False |-- (500, 28), data: (500, 58) @ (58, 28) |-- (250, 222), 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, 33), data: (500, 69) @ (69, 33) |-- (250, 214), data: True |-- (250, 217), data: True |-- (2592, 2556), data: False |-- (2592, 115), data: (2592, 151) @ (151, 115) |-- (592, 565), data: False |-- (592, 26), data: (592, 53) @ (53, 26) |-- (92, 71), data: True |-- (250, 236), data: True |-- (250, 232), data: True |-- (500, 476), data: False |-- (500, 22), data: (500, 46) @ (46, 22) |-- (250, 228), 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 (yy) -0.00000000 (yy) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 08:26:22]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 08:26:23]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 1 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_12_12_1 (19) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.791500019999999 0.000000000000000 0.000000000000000 b 0.000000000000000 10.642677890000000 0.000000000000000 c 0.000000000000000 0.000000000000000 15.767593989999996 Atomic positions (fractional): 1 N 0.38122456319626 0.36691847091309 0.32751954360373 14.007 2 N 0.88122456319626 0.13308152908691 0.67248045639627 14.007 3 N 0.61877543680374 0.86691847091309 0.17248045639627 14.007 4 N 0.11877543680374 0.63308152908691 0.82751954360373 14.007 5 N 0.47286986932936 0.20721933744263 0.17086512048139 14.007 6 N 0.97286986932936 0.29278066255737 0.82913487951861 14.007 7 N 0.52713013067064 0.70721933744263 0.32913487951861 14.007 8 N 0.02713013067064 0.79278066255737 0.67086512048139 14.007 9 N 0.62869485549836 0.38590517543416 0.68978445677174 14.007 10 N 0.12869485549835 0.11409482456584 0.31021554322826 14.007 11 N 0.37130514450164 0.88590517543416 0.81021554322826 14.007 12 N 0.87130514450164 0.61409482456584 0.18978445677174 14.007 13 N 0.71342781472257 0.02659233614187 0.40971429859500 14.007 14 N 0.21342781472257 0.47340766385813 0.59028570140500 14.007 15 N 0.28657218527743 0.52659233614187 0.09028570140500 14.007 16 N 0.78657218527743 0.97340766385813 0.90971429859500 14.007 17 N 0.77931244118724 0.40335964088375 0.05366307629841 14.007 18 N 0.27931244118724 0.09664035911624 0.94633692370159 14.007 19 N 0.22068755881276 0.90335964088375 0.44633692370159 14.007 20 N 0.72068755881276 0.59664035911625 0.55366307629841 14.007 21 N 0.86943320544734 0.37228518472113 0.44145103279594 14.007 22 N 0.36943320544733 0.12771481527887 0.55854896720406 14.007 23 N 0.13056679455267 0.87228518472113 0.05854896720406 14.007 24 N 0.63056679455266 0.62771481527887 0.94145103279594 14.007 25 N 0.87932484292971 0.12636478404331 0.06561271118957 14.007 26 N 0.37932484292971 0.37363521595669 0.93438728881043 14.007 27 N 0.12067515707029 0.62636478404331 0.43438728881043 14.007 28 N 0.62067515707029 0.87363521595669 0.56561271118957 14.007 29 N 0.97465054556091 0.33471385679394 0.20487900008724 14.007 30 N 0.47465054556091 0.16528614320606 0.79512099991276 14.007 31 N 0.02534945443909 0.83471385679394 0.29512099991276 14.007 32 N 0.52534945443909 0.66528614320606 0.70487900008724 14.007 33 Al 0.51584464804208 0.49171727139455 0.00708512009834 26.982 34 Al 0.01584464804208 0.00828272860545 0.99291487990166 26.982 35 Al 0.48415535195792 0.99171727139455 0.49291487990166 26.982 36 Al 0.98415535195792 0.50828272860545 0.50708512009834 26.982 37 Al 0.75754464438587 0.75103244463877 0.24873857482533 26.982 38 Al 0.25754464438587 0.74896755536123 0.75126142517467 26.982 39 Al 0.24245535561413 0.25103244463877 0.25126142517467 26.982 40 Al 0.74245535561413 0.24896755536123 0.74873857482533 26.982 41 Al 0.76101015629705 0.25622028294566 0.12835253769396 26.982 42 Al 0.26101015629705 0.24377971705434 0.87164746230604 26.982 43 Al 0.23898984370295 0.75622028294566 0.37164746230604 26.982 44 Al 0.73898984370295 0.74377971705434 0.62835253769396 26.982 45 Al 0.99445148517789 0.48215336342142 0.13066536715599 26.982 46 Al 0.49445148517789 0.01784663657858 0.86933463284401 26.982 47 Al 0.00554851482211 0.98215336342142 0.36933463284401 26.982 48 Al 0.50554851482211 0.51784663657858 0.63066536715599 26.982 49 Ca 0.21969380771735 0.26738620941587 0.05821498219535 40.078 50 Ca 0.71969380771735 0.23261379058413 0.94178501780465 40.078 51 Ca 0.78030619228265 0.76738620941587 0.44178501780466 40.078 52 Ca 0.28030619228265 0.73261379058413 0.55821498219535 40.078 53 Ca 0.49745538169225 0.01128747241438 0.07406068421742 40.078 54 Ca 0.99745538169225 0.48871252758562 0.92593931578258 40.078 55 Ca 0.50254461830775 0.51128747241438 0.42593931578258 40.078 56 Ca 0.00254461830775 0.98871252758562 0.57406068421742 40.078 57 Ca 0.53960486882361 0.47285136803949 0.20448618607017 40.078 58 Ca 0.03960486882361 0.02714863196051 0.79551381392983 40.078 59 Ca 0.46039513117639 0.97285136803949 0.29551381392983 40.078 60 Ca 0.96039513117639 0.52714863196051 0.70448618607017 40.078 61 Ca 0.70831791760151 0.25770351263181 0.56201474662585 40.078 62 Ca 0.20831791760151 0.24229648736819 0.43798525337415 40.078 63 Ca 0.29168208239849 0.75770351263181 0.93798525337415 40.078 64 Ca 0.79168208239849 0.74229648736819 0.06201474662585 40.078 65 Ca 0.73822180922034 0.23634870207722 0.33330417051589 40.078 66 Ca 0.23822180922034 0.26365129792277 0.66669582948411 40.078 67 Ca 0.26177819077966 0.73634870207723 0.16669582948411 40.078 68 Ca 0.76177819077966 0.76365129792277 0.83330417051589 40.078 69 Ca 0.96802032050893 0.99113125085843 0.17977030815428 40.078 70 Ca 0.46802032050893 0.50886874914157 0.82022969184572 40.078 71 Ca 0.03197967949107 0.49113125085843 0.32022969184572 40.078 72 Ca 0.53197967949107 0.00886874914157 0.67977030815428 40.078 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.583000039999998 0.000000000000000 0.000000000000000 b 0.000000000000000 10.642677890000000 0.000000000000000 c 0.000000000000000 0.000000000000000 15.767593989999996 Atomic positions (fractional): 1 N 0.19061228159813 0.36691847091309 0.32751954360373 14.007 > 1 2 N 0.69061228159813 0.36691847091309 0.32751954360373 14.007 > 1 3 N 0.44061228159813 0.13308152908691 0.67248045639627 14.007 > 3 4 N 0.94061228159813 0.13308152908691 0.67248045639627 14.007 > 3 5 N 0.30938771840187 0.86691847091309 0.17248045639627 14.007 > 5 6 N 0.80938771840187 0.86691847091309 0.17248045639627 14.007 > 5 7 N 0.05938771840187 0.63308152908691 0.82751954360373 14.007 > 7 8 N 0.55938771840187 0.63308152908691 0.82751954360373 14.007 > 7 9 N 0.23643493466468 0.20721933744263 0.17086512048139 14.007 > 9 10 N 0.73643493466468 0.20721933744263 0.17086512048139 14.007 > 9 11 N 0.48643493466468 0.29278066255737 0.82913487951861 14.007 > 11 12 N 0.98643493466468 0.29278066255737 0.82913487951861 14.007 > 11 13 N 0.26356506533532 0.70721933744263 0.32913487951861 14.007 > 13 14 N 0.76356506533532 0.70721933744263 0.32913487951861 14.007 > 13 15 N 0.01356506533532 0.79278066255737 0.67086512048139 14.007 > 15 16 N 0.51356506533532 0.79278066255737 0.67086512048139 14.007 > 15 17 N 0.31434742774918 0.38590517543416 0.68978445677174 14.007 > 17 18 N 0.81434742774918 0.38590517543416 0.68978445677174 14.007 > 17 19 N 0.06434742774918 0.11409482456584 0.31021554322826 14.007 > 19 20 N 0.56434742774918 0.11409482456584 0.31021554322826 14.007 > 19 21 N 0.18565257225082 0.88590517543416 0.81021554322826 14.007 > 21 22 N 0.68565257225082 0.88590517543416 0.81021554322826 14.007 > 21 23 N 0.43565257225082 0.61409482456584 0.18978445677174 14.007 > 23 24 N 0.93565257225082 0.61409482456584 0.18978445677174 14.007 > 23 25 N 0.35671390736128 0.02659233614187 0.40971429859500 14.007 > 25 26 N 0.85671390736129 0.02659233614187 0.40971429859500 14.007 > 25 27 N 0.10671390736128 0.47340766385813 0.59028570140500 14.007 > 27 28 N 0.60671390736129 0.47340766385813 0.59028570140500 14.007 > 27 29 N 0.14328609263872 0.52659233614187 0.09028570140500 14.007 > 29 30 N 0.64328609263871 0.52659233614187 0.09028570140500 14.007 > 29 31 N 0.39328609263872 0.97340766385813 0.90971429859500 14.007 > 31 32 N 0.89328609263871 0.97340766385813 0.90971429859500 14.007 > 31 33 N 0.38965622059362 0.40335964088375 0.05366307629841 14.007 > 33 34 N 0.88965622059362 0.40335964088375 0.05366307629841 14.007 > 33 35 N 0.13965622059362 0.09664035911624 0.94633692370159 14.007 > 35 36 N 0.63965622059362 0.09664035911624 0.94633692370159 14.007 > 35 37 N 0.11034377940638 0.90335964088375 0.44633692370159 14.007 > 37 38 N 0.61034377940638 0.90335964088375 0.44633692370159 14.007 > 37 39 N 0.36034377940638 0.59664035911625 0.55366307629841 14.007 > 39 40 N 0.86034377940638 0.59664035911625 0.55366307629841 14.007 > 39 41 N 0.43471660272367 0.37228518472113 0.44145103279594 14.007 > 41 42 N 0.93471660272367 0.37228518472113 0.44145103279594 14.007 > 41 43 N 0.18471660272367 0.12771481527887 0.55854896720406 14.007 > 43 44 N 0.68471660272367 0.12771481527887 0.55854896720406 14.007 > 43 45 N 0.06528339727633 0.87228518472113 0.05854896720406 14.007 > 45 46 N 0.56528339727633 0.87228518472113 0.05854896720406 14.007 > 45 47 N 0.31528339727633 0.62771481527887 0.94145103279594 14.007 > 47 48 N 0.81528339727633 0.62771481527887 0.94145103279594 14.007 > 47 49 N 0.43966242146486 0.12636478404331 0.06561271118957 14.007 > 49 50 N 0.93966242146486 0.12636478404331 0.06561271118957 14.007 > 49 51 N 0.18966242146486 0.37363521595669 0.93438728881043 14.007 > 51 52 N 0.68966242146486 0.37363521595669 0.93438728881043 14.007 > 51 53 N 0.06033757853514 0.62636478404331 0.43438728881043 14.007 > 53 54 N 0.56033757853514 0.62636478404331 0.43438728881043 14.007 > 53 55 N 0.31033757853514 0.87363521595669 0.56561271118957 14.007 > 55 56 N 0.81033757853514 0.87363521595669 0.56561271118957 14.007 > 55 57 N 0.48732527278045 0.33471385679394 0.20487900008724 14.007 > 57 58 N 0.98732527278045 0.33471385679394 0.20487900008724 14.007 > 57 59 N 0.23732527278045 0.16528614320606 0.79512099991276 14.007 > 59 60 N 0.73732527278045 0.16528614320606 0.79512099991276 14.007 > 59 61 N 0.01267472721955 0.83471385679394 0.29512099991276 14.007 > 61 62 N 0.51267472721955 0.83471385679394 0.29512099991276 14.007 > 61 63 N 0.26267472721955 0.66528614320606 0.70487900008724 14.007 > 63 64 N 0.76267472721955 0.66528614320606 0.70487900008724 14.007 > 63 65 Al 0.25792232402104 0.49171727139455 0.00708512009834 26.982 > 65 66 Al 0.75792232402104 0.49171727139455 0.00708512009834 26.982 > 65 67 Al 0.00792232402104 0.00828272860545 0.99291487990166 26.982 > 67 68 Al 0.50792232402104 0.00828272860545 0.99291487990166 26.982 > 67 69 Al 0.24207767597896 0.99171727139455 0.49291487990166 26.982 > 69 70 Al 0.74207767597896 0.99171727139455 0.49291487990166 26.982 > 69 71 Al 0.49207767597896 0.50828272860545 0.50708512009834 26.982 > 71 72 Al 0.99207767597896 0.50828272860545 0.50708512009834 26.982 > 71 73 Al 0.37877232219293 0.75103244463877 0.24873857482533 26.982 > 73 74 Al 0.87877232219293 0.75103244463877 0.24873857482533 26.982 > 73 75 Al 0.12877232219293 0.74896755536123 0.75126142517467 26.982 > 75 76 Al 0.62877232219293 0.74896755536123 0.75126142517467 26.982 > 75 77 Al 0.12122767780707 0.25103244463877 0.25126142517467 26.982 > 77 78 Al 0.62122767780707 0.25103244463877 0.25126142517467 26.982 > 77 79 Al 0.37122767780707 0.24896755536123 0.74873857482533 26.982 > 79 80 Al 0.87122767780707 0.24896755536123 0.74873857482533 26.982 > 79 81 Al 0.38050507814853 0.25622028294566 0.12835253769396 26.982 > 81 82 Al 0.88050507814853 0.25622028294566 0.12835253769396 26.982 > 81 83 Al 0.13050507814853 0.24377971705434 0.87164746230604 26.982 > 83 84 Al 0.63050507814853 0.24377971705434 0.87164746230604 26.982 > 83 85 Al 0.11949492185147 0.75622028294566 0.37164746230604 26.982 > 85 86 Al 0.61949492185147 0.75622028294566 0.37164746230604 26.982 > 85 87 Al 0.36949492185147 0.74377971705434 0.62835253769396 26.982 > 87 88 Al 0.86949492185147 0.74377971705434 0.62835253769396 26.982 > 87 89 Al 0.49722574258895 0.48215336342142 0.13066536715599 26.982 > 89 90 Al 0.99722574258895 0.48215336342142 0.13066536715599 26.982 > 89 91 Al 0.24722574258895 0.01784663657858 0.86933463284401 26.982 > 91 92 Al 0.74722574258895 0.01784663657858 0.86933463284401 26.982 > 91 93 Al 0.00277425741105 0.98215336342142 0.36933463284401 26.982 > 93 94 Al 0.50277425741105 0.98215336342142 0.36933463284401 26.982 > 93 95 Al 0.25277425741105 0.51784663657858 0.63066536715599 26.982 > 95 96 Al 0.75277425741105 0.51784663657858 0.63066536715599 26.982 > 95 97 Ca 0.10984690385867 0.26738620941587 0.05821498219535 40.078 > 97 98 Ca 0.60984690385867 0.26738620941587 0.05821498219535 40.078 > 97 99 Ca 0.35984690385867 0.23261379058413 0.94178501780465 40.078 > 99 100 Ca 0.85984690385867 0.23261379058413 0.94178501780465 40.078 > 99 101 Ca 0.39015309614133 0.76738620941587 0.44178501780466 40.078 > 101 102 Ca 0.89015309614133 0.76738620941587 0.44178501780466 40.078 > 101 103 Ca 0.14015309614133 0.73261379058413 0.55821498219535 40.078 > 103 104 Ca 0.64015309614133 0.73261379058413 0.55821498219535 40.078 > 103 105 Ca 0.24872769084613 0.01128747241438 0.07406068421742 40.078 > 105 106 Ca 0.74872769084613 0.01128747241438 0.07406068421742 40.078 > 105 107 Ca 0.49872769084613 0.48871252758562 0.92593931578258 40.078 > 107 108 Ca 0.99872769084613 0.48871252758562 0.92593931578258 40.078 > 107 109 Ca 0.25127230915387 0.51128747241438 0.42593931578258 40.078 > 109 110 Ca 0.75127230915387 0.51128747241438 0.42593931578258 40.078 > 109 111 Ca 0.00127230915387 0.98871252758562 0.57406068421742 40.078 > 111 112 Ca 0.50127230915387 0.98871252758562 0.57406068421742 40.078 > 111 113 Ca 0.26980243441180 0.47285136803949 0.20448618607017 40.078 > 113 114 Ca 0.76980243441180 0.47285136803949 0.20448618607017 40.078 > 113 115 Ca 0.01980243441180 0.02714863196051 0.79551381392983 40.078 > 115 116 Ca 0.51980243441180 0.02714863196051 0.79551381392983 40.078 > 115 117 Ca 0.23019756558820 0.97285136803949 0.29551381392983 40.078 > 117 118 Ca 0.73019756558820 0.97285136803949 0.29551381392983 40.078 > 117 119 Ca 0.48019756558820 0.52714863196051 0.70448618607017 40.078 > 119 120 Ca 0.98019756558820 0.52714863196051 0.70448618607017 40.078 > 119 121 Ca 0.35415895880075 0.25770351263181 0.56201474662585 40.078 > 121 122 Ca 0.85415895880075 0.25770351263181 0.56201474662585 40.078 > 121 123 Ca 0.10415895880075 0.24229648736819 0.43798525337415 40.078 > 123 124 Ca 0.60415895880075 0.24229648736819 0.43798525337415 40.078 > 123 125 Ca 0.14584104119925 0.75770351263181 0.93798525337415 40.078 > 125 126 Ca 0.64584104119925 0.75770351263181 0.93798525337415 40.078 > 125 127 Ca 0.39584104119925 0.74229648736819 0.06201474662585 40.078 > 127 128 Ca 0.89584104119925 0.74229648736819 0.06201474662585 40.078 > 127 129 Ca 0.36911090461017 0.23634870207722 0.33330417051589 40.078 > 129 130 Ca 0.86911090461017 0.23634870207722 0.33330417051589 40.078 > 129 131 Ca 0.11911090461017 0.26365129792277 0.66669582948411 40.078 > 131 132 Ca 0.61911090461017 0.26365129792277 0.66669582948411 40.078 > 131 133 Ca 0.13088909538983 0.73634870207723 0.16669582948411 40.078 > 133 134 Ca 0.63088909538983 0.73634870207723 0.16669582948411 40.078 > 133 135 Ca 0.38088909538983 0.76365129792277 0.83330417051589 40.078 > 135 136 Ca 0.88088909538983 0.76365129792277 0.83330417051589 40.078 > 135 137 Ca 0.48401016025447 0.99113125085843 0.17977030815428 40.078 > 137 138 Ca 0.98401016025447 0.99113125085843 0.17977030815428 40.078 > 137 139 Ca 0.23401016025447 0.50886874914157 0.82022969184572 40.078 > 139 140 Ca 0.73401016025447 0.50886874914157 0.82022969184572 40.078 > 139 141 Ca 0.01598983974553 0.49113125085843 0.32022969184572 40.078 > 141 142 Ca 0.51598983974553 0.49113125085843 0.32022969184572 40.078 > 141 143 Ca 0.26598983974553 0.00886874914157 0.67977030815428 40.078 > 143 144 Ca 0.76598983974553 0.00886874914157 0.67977030815428 40.078 > 143 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 5.7745314 0.0000000 0.0000000 0.0000000 5.6975006 0.0000000 0.0000000 0.0000000 5.5985791 -------------------------- Born effective charges -------------------------- 1 N -2.8826153 -0.1154729 -0.0571486 -0.0944449 -2.9799052 -0.3030230 -0.0421344 -0.2367564 -3.0507360 2 N -2.8826153 0.1154729 0.0571486 0.0944449 -2.9799052 -0.3030230 0.0421344 -0.2367564 -3.0507360 3 N -2.8826153 0.1154729 -0.0571486 0.0944449 -2.9799052 0.3030230 -0.0421344 0.2367564 -3.0507360 4 N -2.8826153 -0.1154729 0.0571486 -0.0944449 -2.9799052 0.3030230 0.0421344 0.2367564 -3.0507360 5 N -3.1263787 -0.0980674 0.4441636 -0.0180425 -2.5245353 -0.1777867 0.3218046 -0.0873907 -2.7640854 6 N -3.1263787 0.0980674 -0.4441636 0.0180425 -2.5245353 -0.1777867 -0.3218046 -0.0873907 -2.7640854 7 N -3.1263787 0.0980674 0.4441636 0.0180425 -2.5245353 0.1777867 0.3218046 0.0873907 -2.7640854 8 N -3.1263787 -0.0980674 -0.4441636 -0.0180425 -2.5245353 0.1777867 -0.3218046 0.0873907 -2.7640854 9 N -2.6321716 0.2925456 -0.2937619 0.2591673 -3.3638244 0.4575436 -0.2309561 0.3322153 -2.5179177 10 N -2.6321716 -0.2925456 0.2937619 -0.2591673 -3.3638244 0.4575436 0.2309561 0.3322153 -2.5179177 11 N -2.6321716 -0.2925456 -0.2937619 -0.2591673 -3.3638244 -0.4575436 -0.2309561 -0.3322153 -2.5179177 12 N -2.6321716 0.2925456 0.2937619 0.2591673 -3.3638244 -0.4575436 0.2309561 -0.3322153 -2.5179177 13 N -3.2095991 0.0881865 0.4673689 -0.0403524 -2.5704776 0.1703483 0.3904140 0.0801781 -2.6978328 14 N -3.2095991 -0.0881865 -0.4673689 0.0403524 -2.5704776 0.1703483 -0.3904140 0.0801781 -2.6978328 15 N -3.2095991 -0.0881865 0.4673689 0.0403524 -2.5704776 -0.1703483 0.3904140 -0.0801781 -2.6978328 16 N -3.2095991 0.0881865 -0.4673689 -0.0403524 -2.5704776 -0.1703483 -0.3904140 -0.0801781 -2.6978328 17 N -2.8519576 0.1030194 -0.3509050 -0.0823351 -2.8189765 0.2122764 -0.2461739 0.1647852 -2.9173251 18 N -2.8519576 -0.1030194 0.3509050 0.0823351 -2.8189765 0.2122764 0.2461739 0.1647852 -2.9173251 19 N -2.8519576 -0.1030194 -0.3509050 0.0823351 -2.8189765 -0.2122764 -0.2461739 -0.1647852 -2.9173251 20 N -2.8519576 0.1030194 0.3509050 -0.0823351 -2.8189765 -0.2122764 0.2461739 -0.1647852 -2.9173251 21 N -2.7625875 -0.0836079 -0.0949292 -0.1195725 -3.0638777 -0.3556628 -0.0058926 -0.2476163 -2.9433812 22 N -2.7625875 0.0836079 0.0949292 0.1195725 -3.0638777 -0.3556628 0.0058926 -0.2476163 -2.9433812 23 N -2.7625875 0.0836079 -0.0949292 0.1195725 -3.0638777 0.3556628 -0.0058926 0.2476163 -2.9433812 24 N -2.7625875 -0.0836079 0.0949292 -0.1195725 -3.0638777 0.3556628 0.0058926 0.2476163 -2.9433812 25 N -2.6785168 0.2783435 0.2487062 0.2382983 -3.2096683 -0.3947689 0.2237248 -0.2216816 -2.7361028 26 N -2.6785168 -0.2783435 -0.2487062 -0.2382983 -3.2096683 -0.3947689 -0.2237248 -0.2216816 -2.7361028 27 N -2.6785168 -0.2783435 0.2487062 -0.2382983 -3.2096683 0.3947689 0.2237248 0.2216816 -2.7361028 28 N -2.6785168 0.2783435 -0.2487062 0.2382983 -3.2096683 0.3947689 -0.2237248 0.2216816 -2.7361028 29 N -2.9112776 0.0538148 -0.3939203 -0.0611275 -2.7167004 0.1855826 -0.3263872 0.0831234 -2.9572019 30 N -2.9112776 -0.0538148 0.3939203 0.0611275 -2.7167004 0.1855826 0.3263872 0.0831234 -2.9572019 31 N -2.9112776 -0.0538148 -0.3939203 0.0611275 -2.7167004 -0.1855826 -0.3263872 -0.0831234 -2.9572019 32 N -2.9112776 0.0538148 0.3939203 -0.0611275 -2.7167004 -0.1855826 0.3263872 -0.0831234 -2.9572019 33 Al 2.4862013 0.1173005 -0.1528035 0.1125634 2.3448138 -0.1269221 -0.0494308 -0.1861620 2.4138884 34 Al 2.4862013 -0.1173005 0.1528035 -0.1125634 2.3448138 -0.1269221 0.0494308 -0.1861620 2.4138884 35 Al 2.4862013 -0.1173005 -0.1528035 -0.1125634 2.3448138 0.1269221 -0.0494308 0.1861620 2.4138884 36 Al 2.4862013 0.1173005 0.1528035 0.1125634 2.3448138 0.1269221 0.0494308 0.1861620 2.4138884 37 Al 2.4912305 -0.1047289 -0.1569196 -0.1212146 2.3329964 0.0048280 -0.0627313 0.0227386 2.4075809 38 Al 2.4912305 0.1047289 0.1569196 0.1212146 2.3329964 0.0048280 0.0627313 0.0227386 2.4075809 39 Al 2.4912305 0.1047289 -0.1569196 0.1212146 2.3329964 -0.0048280 -0.0627313 -0.0227386 2.4075809 40 Al 2.4912305 -0.1047289 0.1569196 -0.1212146 2.3329964 -0.0048280 0.0627313 -0.0227386 2.4075809 41 Al 2.3144951 0.1959461 -0.2222600 0.2773336 2.3767697 0.1882540 -0.2958312 0.1848301 1.9637978 42 Al 2.3144951 -0.1959461 0.2222600 -0.2773336 2.3767697 0.1882540 0.2958312 0.1848301 1.9637978 43 Al 2.3144951 -0.1959461 -0.2222600 -0.2773336 2.3767697 -0.1882540 -0.2958312 -0.1848301 1.9637978 44 Al 2.3144951 0.1959461 0.2222600 0.2773336 2.3767697 -0.1882540 0.2958312 -0.1848301 1.9637978 45 Al 2.3368591 0.0987212 -0.2187302 0.2812093 2.4734855 0.2077869 -0.2980523 0.1989554 1.8749408 46 Al 2.3368591 -0.0987212 0.2187302 -0.2812093 2.4734855 0.2077869 0.2980523 0.1989554 1.8749408 47 Al 2.3368591 -0.0987212 -0.2187302 -0.2812093 2.4734855 -0.2077869 -0.2980523 -0.1989554 1.8749408 48 Al 2.3368591 0.0987212 0.2187302 0.2812093 2.4734855 -0.2077869 0.2980523 -0.1989554 1.8749408 49 Ca 2.2282438 0.0948777 -0.0522835 0.0817310 2.1365207 0.1363975 -0.0355654 0.0924821 2.3160183 50 Ca 2.2282438 -0.0948777 0.0522835 -0.0817310 2.1365207 0.1363975 0.0355654 0.0924821 2.3160183 51 Ca 2.2282438 -0.0948777 -0.0522835 -0.0817310 2.1365207 -0.1363975 -0.0355654 -0.0924821 2.3160183 52 Ca 2.2282438 0.0948777 0.0522835 0.0817310 2.1365207 -0.1363975 0.0355654 -0.0924821 2.3160183 53 Ca 2.3801819 0.1167040 0.2082731 0.1067757 2.1739024 -0.2751226 0.2167146 -0.2315576 2.2652844 54 Ca 2.3801819 -0.1167040 -0.2082731 -0.1067757 2.1739024 -0.2751226 -0.2167146 -0.2315576 2.2652844 55 Ca 2.3801819 -0.1167040 0.2082731 -0.1067757 2.1739024 0.2751226 0.2167146 0.2315576 2.2652844 56 Ca 2.3801819 0.1167040 -0.2082731 0.1067757 2.1739024 0.2751226 -0.2167146 0.2315576 2.2652844 57 Ca 2.3070728 0.1119564 -0.0498187 0.1082606 2.3044071 -0.0216015 -0.0932610 -0.0536461 2.2507727 58 Ca 2.3070728 -0.1119564 0.0498187 -0.1082606 2.3044071 -0.0216015 0.0932610 -0.0536461 2.2507727 59 Ca 2.3070728 -0.1119564 -0.0498187 -0.1082606 2.3044071 0.0216015 -0.0932610 0.0536461 2.2507727 60 Ca 2.3070728 0.1119564 0.0498187 0.1082606 2.3044071 0.0216015 0.0932610 0.0536461 2.2507727 61 Ca 2.0616288 0.1107527 -0.0065344 0.0448342 2.5068252 -0.1240242 -0.1161572 -0.0800804 2.3527299 62 Ca 2.0616288 -0.1107527 0.0065344 -0.0448342 2.5068252 -0.1240242 0.1161572 -0.0800804 2.3527299 63 Ca 2.0616288 -0.1107527 -0.0065344 -0.0448342 2.5068252 0.1240242 -0.1161572 0.0800804 2.3527299 64 Ca 2.0616288 0.1107527 0.0065344 0.0448342 2.5068252 0.1240242 0.1161572 0.0800804 2.3527299 65 Ca 2.3335555 -0.1322119 0.0715216 -0.1224453 2.1535777 0.0663335 0.1265855 0.0265416 2.2163243 66 Ca 2.3335555 0.1322119 -0.0715216 0.1224453 2.1535777 0.0663335 -0.1265855 0.0265416 2.2163243 67 Ca 2.3335555 0.1322119 0.0715216 0.1224453 2.1535777 -0.0663335 0.1265855 -0.0265416 2.2163243 68 Ca 2.3335555 -0.1322119 -0.0715216 -0.1224453 2.1535777 -0.0663335 -0.1265855 -0.0265416 2.2163243 69 Ca 2.1156355 0.1143510 0.0290318 0.0317016 2.4446669 -0.0967746 0.1403488 -0.1888860 2.5232455 70 Ca 2.1156355 -0.1143510 -0.0290318 -0.0317016 2.4446669 -0.0967746 -0.1403488 -0.1888860 2.5232455 71 Ca 2.1156355 -0.1143510 0.0290318 -0.0317016 2.4446669 0.0967746 0.1403488 0.1888860 2.5232455 72 Ca 2.1156355 0.1143510 -0.0290318 0.0317016 2.4446669 0.0967746 -0.1403488 0.1888860 2.5232455 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 9, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 17, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 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] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 33, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 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] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 57, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 65, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 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] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 81, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 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] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 97, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] 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] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] 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] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] 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] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] 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] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] 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] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000000 (zzz) -0.00000000 (zzz) -0.00000000 (zzz) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000000 (xy) 0.00000000 (xy) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 08:28:25]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 08:28:26]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 1 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_12_12_1 (19) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.791500019999999 0.000000000000000 0.000000000000000 b 0.000000000000000 10.642677890000000 0.000000000000000 c 0.000000000000000 0.000000000000000 15.767593989999996 Atomic positions (fractional): 1 N 0.38122456319626 0.36691847091309 0.32751954360373 14.007 2 N 0.88122456319626 0.13308152908691 0.67248045639627 14.007 3 N 0.61877543680374 0.86691847091309 0.17248045639627 14.007 4 N 0.11877543680374 0.63308152908691 0.82751954360373 14.007 5 N 0.47286986932936 0.20721933744263 0.17086512048139 14.007 6 N 0.97286986932936 0.29278066255737 0.82913487951861 14.007 7 N 0.52713013067064 0.70721933744263 0.32913487951861 14.007 8 N 0.02713013067064 0.79278066255737 0.67086512048139 14.007 9 N 0.62869485549836 0.38590517543416 0.68978445677174 14.007 10 N 0.12869485549835 0.11409482456584 0.31021554322826 14.007 11 N 0.37130514450164 0.88590517543416 0.81021554322826 14.007 12 N 0.87130514450164 0.61409482456584 0.18978445677174 14.007 13 N 0.71342781472257 0.02659233614187 0.40971429859500 14.007 14 N 0.21342781472257 0.47340766385813 0.59028570140500 14.007 15 N 0.28657218527743 0.52659233614187 0.09028570140500 14.007 16 N 0.78657218527743 0.97340766385813 0.90971429859500 14.007 17 N 0.77931244118724 0.40335964088375 0.05366307629841 14.007 18 N 0.27931244118724 0.09664035911624 0.94633692370159 14.007 19 N 0.22068755881276 0.90335964088375 0.44633692370159 14.007 20 N 0.72068755881276 0.59664035911625 0.55366307629841 14.007 21 N 0.86943320544734 0.37228518472113 0.44145103279594 14.007 22 N 0.36943320544733 0.12771481527887 0.55854896720406 14.007 23 N 0.13056679455267 0.87228518472113 0.05854896720406 14.007 24 N 0.63056679455266 0.62771481527887 0.94145103279594 14.007 25 N 0.87932484292971 0.12636478404331 0.06561271118957 14.007 26 N 0.37932484292971 0.37363521595669 0.93438728881043 14.007 27 N 0.12067515707029 0.62636478404331 0.43438728881043 14.007 28 N 0.62067515707029 0.87363521595669 0.56561271118957 14.007 29 N 0.97465054556091 0.33471385679394 0.20487900008724 14.007 30 N 0.47465054556091 0.16528614320606 0.79512099991276 14.007 31 N 0.02534945443909 0.83471385679394 0.29512099991276 14.007 32 N 0.52534945443909 0.66528614320606 0.70487900008724 14.007 33 Al 0.51584464804208 0.49171727139455 0.00708512009834 26.982 34 Al 0.01584464804208 0.00828272860545 0.99291487990166 26.982 35 Al 0.48415535195792 0.99171727139455 0.49291487990166 26.982 36 Al 0.98415535195792 0.50828272860545 0.50708512009834 26.982 37 Al 0.75754464438587 0.75103244463877 0.24873857482533 26.982 38 Al 0.25754464438587 0.74896755536123 0.75126142517467 26.982 39 Al 0.24245535561413 0.25103244463877 0.25126142517467 26.982 40 Al 0.74245535561413 0.24896755536123 0.74873857482533 26.982 41 Al 0.76101015629705 0.25622028294566 0.12835253769396 26.982 42 Al 0.26101015629705 0.24377971705434 0.87164746230604 26.982 43 Al 0.23898984370295 0.75622028294566 0.37164746230604 26.982 44 Al 0.73898984370295 0.74377971705434 0.62835253769396 26.982 45 Al 0.99445148517789 0.48215336342142 0.13066536715599 26.982 46 Al 0.49445148517789 0.01784663657858 0.86933463284401 26.982 47 Al 0.00554851482211 0.98215336342142 0.36933463284401 26.982 48 Al 0.50554851482211 0.51784663657858 0.63066536715599 26.982 49 Ca 0.21969380771735 0.26738620941587 0.05821498219535 40.078 50 Ca 0.71969380771735 0.23261379058413 0.94178501780465 40.078 51 Ca 0.78030619228265 0.76738620941587 0.44178501780466 40.078 52 Ca 0.28030619228265 0.73261379058413 0.55821498219535 40.078 53 Ca 0.49745538169225 0.01128747241438 0.07406068421742 40.078 54 Ca 0.99745538169225 0.48871252758562 0.92593931578258 40.078 55 Ca 0.50254461830775 0.51128747241438 0.42593931578258 40.078 56 Ca 0.00254461830775 0.98871252758562 0.57406068421742 40.078 57 Ca 0.53960486882361 0.47285136803949 0.20448618607017 40.078 58 Ca 0.03960486882361 0.02714863196051 0.79551381392983 40.078 59 Ca 0.46039513117639 0.97285136803949 0.29551381392983 40.078 60 Ca 0.96039513117639 0.52714863196051 0.70448618607017 40.078 61 Ca 0.70831791760151 0.25770351263181 0.56201474662585 40.078 62 Ca 0.20831791760151 0.24229648736819 0.43798525337415 40.078 63 Ca 0.29168208239849 0.75770351263181 0.93798525337415 40.078 64 Ca 0.79168208239849 0.74229648736819 0.06201474662585 40.078 65 Ca 0.73822180922034 0.23634870207722 0.33330417051589 40.078 66 Ca 0.23822180922034 0.26365129792277 0.66669582948411 40.078 67 Ca 0.26177819077966 0.73634870207723 0.16669582948411 40.078 68 Ca 0.76177819077966 0.76365129792277 0.83330417051589 40.078 69 Ca 0.96802032050893 0.99113125085843 0.17977030815428 40.078 70 Ca 0.46802032050893 0.50886874914157 0.82022969184572 40.078 71 Ca 0.03197967949107 0.49113125085843 0.32022969184572 40.078 72 Ca 0.53197967949107 0.00886874914157 0.67977030815428 40.078 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.583000039999998 0.000000000000000 0.000000000000000 b 0.000000000000000 10.642677890000000 0.000000000000000 c 0.000000000000000 0.000000000000000 15.767593989999996 Atomic positions (fractional): 1 N 0.19061228159813 0.36691847091309 0.32751954360373 14.007 > 1 2 N 0.69061228159813 0.36691847091309 0.32751954360373 14.007 > 1 3 N 0.44061228159813 0.13308152908691 0.67248045639627 14.007 > 3 4 N 0.94061228159813 0.13308152908691 0.67248045639627 14.007 > 3 5 N 0.30938771840187 0.86691847091309 0.17248045639627 14.007 > 5 6 N 0.80938771840187 0.86691847091309 0.17248045639627 14.007 > 5 7 N 0.05938771840187 0.63308152908691 0.82751954360373 14.007 > 7 8 N 0.55938771840187 0.63308152908691 0.82751954360373 14.007 > 7 9 N 0.23643493466468 0.20721933744263 0.17086512048139 14.007 > 9 10 N 0.73643493466468 0.20721933744263 0.17086512048139 14.007 > 9 11 N 0.48643493466468 0.29278066255737 0.82913487951861 14.007 > 11 12 N 0.98643493466468 0.29278066255737 0.82913487951861 14.007 > 11 13 N 0.26356506533532 0.70721933744263 0.32913487951861 14.007 > 13 14 N 0.76356506533532 0.70721933744263 0.32913487951861 14.007 > 13 15 N 0.01356506533532 0.79278066255737 0.67086512048139 14.007 > 15 16 N 0.51356506533532 0.79278066255737 0.67086512048139 14.007 > 15 17 N 0.31434742774918 0.38590517543416 0.68978445677174 14.007 > 17 18 N 0.81434742774918 0.38590517543416 0.68978445677174 14.007 > 17 19 N 0.06434742774918 0.11409482456584 0.31021554322826 14.007 > 19 20 N 0.56434742774918 0.11409482456584 0.31021554322826 14.007 > 19 21 N 0.18565257225082 0.88590517543416 0.81021554322826 14.007 > 21 22 N 0.68565257225082 0.88590517543416 0.81021554322826 14.007 > 21 23 N 0.43565257225082 0.61409482456584 0.18978445677174 14.007 > 23 24 N 0.93565257225082 0.61409482456584 0.18978445677174 14.007 > 23 25 N 0.35671390736128 0.02659233614187 0.40971429859500 14.007 > 25 26 N 0.85671390736129 0.02659233614187 0.40971429859500 14.007 > 25 27 N 0.10671390736128 0.47340766385813 0.59028570140500 14.007 > 27 28 N 0.60671390736129 0.47340766385813 0.59028570140500 14.007 > 27 29 N 0.14328609263872 0.52659233614187 0.09028570140500 14.007 > 29 30 N 0.64328609263871 0.52659233614187 0.09028570140500 14.007 > 29 31 N 0.39328609263872 0.97340766385813 0.90971429859500 14.007 > 31 32 N 0.89328609263871 0.97340766385813 0.90971429859500 14.007 > 31 33 N 0.38965622059362 0.40335964088375 0.05366307629841 14.007 > 33 34 N 0.88965622059362 0.40335964088375 0.05366307629841 14.007 > 33 35 N 0.13965622059362 0.09664035911624 0.94633692370159 14.007 > 35 36 N 0.63965622059362 0.09664035911624 0.94633692370159 14.007 > 35 37 N 0.11034377940638 0.90335964088375 0.44633692370159 14.007 > 37 38 N 0.61034377940638 0.90335964088375 0.44633692370159 14.007 > 37 39 N 0.36034377940638 0.59664035911625 0.55366307629841 14.007 > 39 40 N 0.86034377940638 0.59664035911625 0.55366307629841 14.007 > 39 41 N 0.43471660272367 0.37228518472113 0.44145103279594 14.007 > 41 42 N 0.93471660272367 0.37228518472113 0.44145103279594 14.007 > 41 43 N 0.18471660272367 0.12771481527887 0.55854896720406 14.007 > 43 44 N 0.68471660272367 0.12771481527887 0.55854896720406 14.007 > 43 45 N 0.06528339727633 0.87228518472113 0.05854896720406 14.007 > 45 46 N 0.56528339727633 0.87228518472113 0.05854896720406 14.007 > 45 47 N 0.31528339727633 0.62771481527887 0.94145103279594 14.007 > 47 48 N 0.81528339727633 0.62771481527887 0.94145103279594 14.007 > 47 49 N 0.43966242146486 0.12636478404331 0.06561271118957 14.007 > 49 50 N 0.93966242146486 0.12636478404331 0.06561271118957 14.007 > 49 51 N 0.18966242146486 0.37363521595669 0.93438728881043 14.007 > 51 52 N 0.68966242146486 0.37363521595669 0.93438728881043 14.007 > 51 53 N 0.06033757853514 0.62636478404331 0.43438728881043 14.007 > 53 54 N 0.56033757853514 0.62636478404331 0.43438728881043 14.007 > 53 55 N 0.31033757853514 0.87363521595669 0.56561271118957 14.007 > 55 56 N 0.81033757853514 0.87363521595669 0.56561271118957 14.007 > 55 57 N 0.48732527278045 0.33471385679394 0.20487900008724 14.007 > 57 58 N 0.98732527278045 0.33471385679394 0.20487900008724 14.007 > 57 59 N 0.23732527278045 0.16528614320606 0.79512099991276 14.007 > 59 60 N 0.73732527278045 0.16528614320606 0.79512099991276 14.007 > 59 61 N 0.01267472721955 0.83471385679394 0.29512099991276 14.007 > 61 62 N 0.51267472721955 0.83471385679394 0.29512099991276 14.007 > 61 63 N 0.26267472721955 0.66528614320606 0.70487900008724 14.007 > 63 64 N 0.76267472721955 0.66528614320606 0.70487900008724 14.007 > 63 65 Al 0.25792232402104 0.49171727139455 0.00708512009834 26.982 > 65 66 Al 0.75792232402104 0.49171727139455 0.00708512009834 26.982 > 65 67 Al 0.00792232402104 0.00828272860545 0.99291487990166 26.982 > 67 68 Al 0.50792232402104 0.00828272860545 0.99291487990166 26.982 > 67 69 Al 0.24207767597896 0.99171727139455 0.49291487990166 26.982 > 69 70 Al 0.74207767597896 0.99171727139455 0.49291487990166 26.982 > 69 71 Al 0.49207767597896 0.50828272860545 0.50708512009834 26.982 > 71 72 Al 0.99207767597896 0.50828272860545 0.50708512009834 26.982 > 71 73 Al 0.37877232219293 0.75103244463877 0.24873857482533 26.982 > 73 74 Al 0.87877232219293 0.75103244463877 0.24873857482533 26.982 > 73 75 Al 0.12877232219293 0.74896755536123 0.75126142517467 26.982 > 75 76 Al 0.62877232219293 0.74896755536123 0.75126142517467 26.982 > 75 77 Al 0.12122767780707 0.25103244463877 0.25126142517467 26.982 > 77 78 Al 0.62122767780707 0.25103244463877 0.25126142517467 26.982 > 77 79 Al 0.37122767780707 0.24896755536123 0.74873857482533 26.982 > 79 80 Al 0.87122767780707 0.24896755536123 0.74873857482533 26.982 > 79 81 Al 0.38050507814853 0.25622028294566 0.12835253769396 26.982 > 81 82 Al 0.88050507814853 0.25622028294566 0.12835253769396 26.982 > 81 83 Al 0.13050507814853 0.24377971705434 0.87164746230604 26.982 > 83 84 Al 0.63050507814853 0.24377971705434 0.87164746230604 26.982 > 83 85 Al 0.11949492185147 0.75622028294566 0.37164746230604 26.982 > 85 86 Al 0.61949492185147 0.75622028294566 0.37164746230604 26.982 > 85 87 Al 0.36949492185147 0.74377971705434 0.62835253769396 26.982 > 87 88 Al 0.86949492185147 0.74377971705434 0.62835253769396 26.982 > 87 89 Al 0.49722574258895 0.48215336342142 0.13066536715599 26.982 > 89 90 Al 0.99722574258895 0.48215336342142 0.13066536715599 26.982 > 89 91 Al 0.24722574258895 0.01784663657858 0.86933463284401 26.982 > 91 92 Al 0.74722574258895 0.01784663657858 0.86933463284401 26.982 > 91 93 Al 0.00277425741105 0.98215336342142 0.36933463284401 26.982 > 93 94 Al 0.50277425741105 0.98215336342142 0.36933463284401 26.982 > 93 95 Al 0.25277425741105 0.51784663657858 0.63066536715599 26.982 > 95 96 Al 0.75277425741105 0.51784663657858 0.63066536715599 26.982 > 95 97 Ca 0.10984690385867 0.26738620941587 0.05821498219535 40.078 > 97 98 Ca 0.60984690385867 0.26738620941587 0.05821498219535 40.078 > 97 99 Ca 0.35984690385867 0.23261379058413 0.94178501780465 40.078 > 99 100 Ca 0.85984690385867 0.23261379058413 0.94178501780465 40.078 > 99 101 Ca 0.39015309614133 0.76738620941587 0.44178501780466 40.078 > 101 102 Ca 0.89015309614133 0.76738620941587 0.44178501780466 40.078 > 101 103 Ca 0.14015309614133 0.73261379058413 0.55821498219535 40.078 > 103 104 Ca 0.64015309614133 0.73261379058413 0.55821498219535 40.078 > 103 105 Ca 0.24872769084613 0.01128747241438 0.07406068421742 40.078 > 105 106 Ca 0.74872769084613 0.01128747241438 0.07406068421742 40.078 > 105 107 Ca 0.49872769084613 0.48871252758562 0.92593931578258 40.078 > 107 108 Ca 0.99872769084613 0.48871252758562 0.92593931578258 40.078 > 107 109 Ca 0.25127230915387 0.51128747241438 0.42593931578258 40.078 > 109 110 Ca 0.75127230915387 0.51128747241438 0.42593931578258 40.078 > 109 111 Ca 0.00127230915387 0.98871252758562 0.57406068421742 40.078 > 111 112 Ca 0.50127230915387 0.98871252758562 0.57406068421742 40.078 > 111 113 Ca 0.26980243441180 0.47285136803949 0.20448618607017 40.078 > 113 114 Ca 0.76980243441180 0.47285136803949 0.20448618607017 40.078 > 113 115 Ca 0.01980243441180 0.02714863196051 0.79551381392983 40.078 > 115 116 Ca 0.51980243441180 0.02714863196051 0.79551381392983 40.078 > 115 117 Ca 0.23019756558820 0.97285136803949 0.29551381392983 40.078 > 117 118 Ca 0.73019756558820 0.97285136803949 0.29551381392983 40.078 > 117 119 Ca 0.48019756558820 0.52714863196051 0.70448618607017 40.078 > 119 120 Ca 0.98019756558820 0.52714863196051 0.70448618607017 40.078 > 119 121 Ca 0.35415895880075 0.25770351263181 0.56201474662585 40.078 > 121 122 Ca 0.85415895880075 0.25770351263181 0.56201474662585 40.078 > 121 123 Ca 0.10415895880075 0.24229648736819 0.43798525337415 40.078 > 123 124 Ca 0.60415895880075 0.24229648736819 0.43798525337415 40.078 > 123 125 Ca 0.14584104119925 0.75770351263181 0.93798525337415 40.078 > 125 126 Ca 0.64584104119925 0.75770351263181 0.93798525337415 40.078 > 125 127 Ca 0.39584104119925 0.74229648736819 0.06201474662585 40.078 > 127 128 Ca 0.89584104119925 0.74229648736819 0.06201474662585 40.078 > 127 129 Ca 0.36911090461017 0.23634870207722 0.33330417051589 40.078 > 129 130 Ca 0.86911090461017 0.23634870207722 0.33330417051589 40.078 > 129 131 Ca 0.11911090461017 0.26365129792277 0.66669582948411 40.078 > 131 132 Ca 0.61911090461017 0.26365129792277 0.66669582948411 40.078 > 131 133 Ca 0.13088909538983 0.73634870207723 0.16669582948411 40.078 > 133 134 Ca 0.63088909538983 0.73634870207723 0.16669582948411 40.078 > 133 135 Ca 0.38088909538983 0.76365129792277 0.83330417051589 40.078 > 135 136 Ca 0.88088909538983 0.76365129792277 0.83330417051589 40.078 > 135 137 Ca 0.48401016025447 0.99113125085843 0.17977030815428 40.078 > 137 138 Ca 0.98401016025447 0.99113125085843 0.17977030815428 40.078 > 137 139 Ca 0.23401016025447 0.50886874914157 0.82022969184572 40.078 > 139 140 Ca 0.73401016025447 0.50886874914157 0.82022969184572 40.078 > 139 141 Ca 0.01598983974553 0.49113125085843 0.32022969184572 40.078 > 141 142 Ca 0.51598983974553 0.49113125085843 0.32022969184572 40.078 > 141 143 Ca 0.26598983974553 0.00886874914157 0.67977030815428 40.078 > 143 144 Ca 0.76598983974553 0.00886874914157 0.67977030815428 40.078 > 143 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 5.7745314 0.0000000 0.0000000 0.0000000 5.6975006 0.0000000 0.0000000 0.0000000 5.5985791 -------------------------- Born effective charges -------------------------- 1 N -2.8826153 -0.1154729 -0.0571486 -0.0944449 -2.9799052 -0.3030230 -0.0421344 -0.2367564 -3.0507360 2 N -2.8826153 0.1154729 0.0571486 0.0944449 -2.9799052 -0.3030230 0.0421344 -0.2367564 -3.0507360 3 N -2.8826153 0.1154729 -0.0571486 0.0944449 -2.9799052 0.3030230 -0.0421344 0.2367564 -3.0507360 4 N -2.8826153 -0.1154729 0.0571486 -0.0944449 -2.9799052 0.3030230 0.0421344 0.2367564 -3.0507360 5 N -3.1263787 -0.0980674 0.4441636 -0.0180425 -2.5245353 -0.1777867 0.3218046 -0.0873907 -2.7640854 6 N -3.1263787 0.0980674 -0.4441636 0.0180425 -2.5245353 -0.1777867 -0.3218046 -0.0873907 -2.7640854 7 N -3.1263787 0.0980674 0.4441636 0.0180425 -2.5245353 0.1777867 0.3218046 0.0873907 -2.7640854 8 N -3.1263787 -0.0980674 -0.4441636 -0.0180425 -2.5245353 0.1777867 -0.3218046 0.0873907 -2.7640854 9 N -2.6321716 0.2925456 -0.2937619 0.2591673 -3.3638244 0.4575436 -0.2309561 0.3322153 -2.5179177 10 N -2.6321716 -0.2925456 0.2937619 -0.2591673 -3.3638244 0.4575436 0.2309561 0.3322153 -2.5179177 11 N -2.6321716 -0.2925456 -0.2937619 -0.2591673 -3.3638244 -0.4575436 -0.2309561 -0.3322153 -2.5179177 12 N -2.6321716 0.2925456 0.2937619 0.2591673 -3.3638244 -0.4575436 0.2309561 -0.3322153 -2.5179177 13 N -3.2095991 0.0881865 0.4673689 -0.0403524 -2.5704776 0.1703483 0.3904140 0.0801781 -2.6978328 14 N -3.2095991 -0.0881865 -0.4673689 0.0403524 -2.5704776 0.1703483 -0.3904140 0.0801781 -2.6978328 15 N -3.2095991 -0.0881865 0.4673689 0.0403524 -2.5704776 -0.1703483 0.3904140 -0.0801781 -2.6978328 16 N -3.2095991 0.0881865 -0.4673689 -0.0403524 -2.5704776 -0.1703483 -0.3904140 -0.0801781 -2.6978328 17 N -2.8519576 0.1030194 -0.3509050 -0.0823351 -2.8189765 0.2122764 -0.2461739 0.1647852 -2.9173251 18 N -2.8519576 -0.1030194 0.3509050 0.0823351 -2.8189765 0.2122764 0.2461739 0.1647852 -2.9173251 19 N -2.8519576 -0.1030194 -0.3509050 0.0823351 -2.8189765 -0.2122764 -0.2461739 -0.1647852 -2.9173251 20 N -2.8519576 0.1030194 0.3509050 -0.0823351 -2.8189765 -0.2122764 0.2461739 -0.1647852 -2.9173251 21 N -2.7625875 -0.0836079 -0.0949292 -0.1195725 -3.0638777 -0.3556628 -0.0058926 -0.2476163 -2.9433812 22 N -2.7625875 0.0836079 0.0949292 0.1195725 -3.0638777 -0.3556628 0.0058926 -0.2476163 -2.9433812 23 N -2.7625875 0.0836079 -0.0949292 0.1195725 -3.0638777 0.3556628 -0.0058926 0.2476163 -2.9433812 24 N -2.7625875 -0.0836079 0.0949292 -0.1195725 -3.0638777 0.3556628 0.0058926 0.2476163 -2.9433812 25 N -2.6785168 0.2783435 0.2487062 0.2382983 -3.2096683 -0.3947689 0.2237248 -0.2216816 -2.7361028 26 N -2.6785168 -0.2783435 -0.2487062 -0.2382983 -3.2096683 -0.3947689 -0.2237248 -0.2216816 -2.7361028 27 N -2.6785168 -0.2783435 0.2487062 -0.2382983 -3.2096683 0.3947689 0.2237248 0.2216816 -2.7361028 28 N -2.6785168 0.2783435 -0.2487062 0.2382983 -3.2096683 0.3947689 -0.2237248 0.2216816 -2.7361028 29 N -2.9112776 0.0538148 -0.3939203 -0.0611275 -2.7167004 0.1855826 -0.3263872 0.0831234 -2.9572019 30 N -2.9112776 -0.0538148 0.3939203 0.0611275 -2.7167004 0.1855826 0.3263872 0.0831234 -2.9572019 31 N -2.9112776 -0.0538148 -0.3939203 0.0611275 -2.7167004 -0.1855826 -0.3263872 -0.0831234 -2.9572019 32 N -2.9112776 0.0538148 0.3939203 -0.0611275 -2.7167004 -0.1855826 0.3263872 -0.0831234 -2.9572019 33 Al 2.4862013 0.1173005 -0.1528035 0.1125634 2.3448138 -0.1269221 -0.0494308 -0.1861620 2.4138884 34 Al 2.4862013 -0.1173005 0.1528035 -0.1125634 2.3448138 -0.1269221 0.0494308 -0.1861620 2.4138884 35 Al 2.4862013 -0.1173005 -0.1528035 -0.1125634 2.3448138 0.1269221 -0.0494308 0.1861620 2.4138884 36 Al 2.4862013 0.1173005 0.1528035 0.1125634 2.3448138 0.1269221 0.0494308 0.1861620 2.4138884 37 Al 2.4912305 -0.1047289 -0.1569196 -0.1212146 2.3329964 0.0048280 -0.0627313 0.0227386 2.4075809 38 Al 2.4912305 0.1047289 0.1569196 0.1212146 2.3329964 0.0048280 0.0627313 0.0227386 2.4075809 39 Al 2.4912305 0.1047289 -0.1569196 0.1212146 2.3329964 -0.0048280 -0.0627313 -0.0227386 2.4075809 40 Al 2.4912305 -0.1047289 0.1569196 -0.1212146 2.3329964 -0.0048280 0.0627313 -0.0227386 2.4075809 41 Al 2.3144951 0.1959461 -0.2222600 0.2773336 2.3767697 0.1882540 -0.2958312 0.1848301 1.9637978 42 Al 2.3144951 -0.1959461 0.2222600 -0.2773336 2.3767697 0.1882540 0.2958312 0.1848301 1.9637978 43 Al 2.3144951 -0.1959461 -0.2222600 -0.2773336 2.3767697 -0.1882540 -0.2958312 -0.1848301 1.9637978 44 Al 2.3144951 0.1959461 0.2222600 0.2773336 2.3767697 -0.1882540 0.2958312 -0.1848301 1.9637978 45 Al 2.3368591 0.0987212 -0.2187302 0.2812093 2.4734855 0.2077869 -0.2980523 0.1989554 1.8749408 46 Al 2.3368591 -0.0987212 0.2187302 -0.2812093 2.4734855 0.2077869 0.2980523 0.1989554 1.8749408 47 Al 2.3368591 -0.0987212 -0.2187302 -0.2812093 2.4734855 -0.2077869 -0.2980523 -0.1989554 1.8749408 48 Al 2.3368591 0.0987212 0.2187302 0.2812093 2.4734855 -0.2077869 0.2980523 -0.1989554 1.8749408 49 Ca 2.2282438 0.0948777 -0.0522835 0.0817310 2.1365207 0.1363975 -0.0355654 0.0924821 2.3160183 50 Ca 2.2282438 -0.0948777 0.0522835 -0.0817310 2.1365207 0.1363975 0.0355654 0.0924821 2.3160183 51 Ca 2.2282438 -0.0948777 -0.0522835 -0.0817310 2.1365207 -0.1363975 -0.0355654 -0.0924821 2.3160183 52 Ca 2.2282438 0.0948777 0.0522835 0.0817310 2.1365207 -0.1363975 0.0355654 -0.0924821 2.3160183 53 Ca 2.3801819 0.1167040 0.2082731 0.1067757 2.1739024 -0.2751226 0.2167146 -0.2315576 2.2652844 54 Ca 2.3801819 -0.1167040 -0.2082731 -0.1067757 2.1739024 -0.2751226 -0.2167146 -0.2315576 2.2652844 55 Ca 2.3801819 -0.1167040 0.2082731 -0.1067757 2.1739024 0.2751226 0.2167146 0.2315576 2.2652844 56 Ca 2.3801819 0.1167040 -0.2082731 0.1067757 2.1739024 0.2751226 -0.2167146 0.2315576 2.2652844 57 Ca 2.3070728 0.1119564 -0.0498187 0.1082606 2.3044071 -0.0216015 -0.0932610 -0.0536461 2.2507727 58 Ca 2.3070728 -0.1119564 0.0498187 -0.1082606 2.3044071 -0.0216015 0.0932610 -0.0536461 2.2507727 59 Ca 2.3070728 -0.1119564 -0.0498187 -0.1082606 2.3044071 0.0216015 -0.0932610 0.0536461 2.2507727 60 Ca 2.3070728 0.1119564 0.0498187 0.1082606 2.3044071 0.0216015 0.0932610 0.0536461 2.2507727 61 Ca 2.0616288 0.1107527 -0.0065344 0.0448342 2.5068252 -0.1240242 -0.1161572 -0.0800804 2.3527299 62 Ca 2.0616288 -0.1107527 0.0065344 -0.0448342 2.5068252 -0.1240242 0.1161572 -0.0800804 2.3527299 63 Ca 2.0616288 -0.1107527 -0.0065344 -0.0448342 2.5068252 0.1240242 -0.1161572 0.0800804 2.3527299 64 Ca 2.0616288 0.1107527 0.0065344 0.0448342 2.5068252 0.1240242 0.1161572 0.0800804 2.3527299 65 Ca 2.3335555 -0.1322119 0.0715216 -0.1224453 2.1535777 0.0663335 0.1265855 0.0265416 2.2163243 66 Ca 2.3335555 0.1322119 -0.0715216 0.1224453 2.1535777 0.0663335 -0.1265855 0.0265416 2.2163243 67 Ca 2.3335555 0.1322119 0.0715216 0.1224453 2.1535777 -0.0663335 0.1265855 -0.0265416 2.2163243 68 Ca 2.3335555 -0.1322119 -0.0715216 -0.1224453 2.1535777 -0.0663335 -0.1265855 -0.0265416 2.2163243 69 Ca 2.1156355 0.1143510 0.0290318 0.0317016 2.4446669 -0.0967746 0.1403488 -0.1888860 2.5232455 70 Ca 2.1156355 -0.1143510 -0.0290318 -0.0317016 2.4446669 -0.0967746 -0.1403488 -0.1888860 2.5232455 71 Ca 2.1156355 -0.1143510 0.0290318 -0.0317016 2.4446669 0.0967746 0.1403488 0.1888860 2.5232455 72 Ca 2.1156355 0.1143510 -0.0290318 0.0317016 2.4446669 0.0967746 -0.1403488 0.1888860 2.5232455 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000000 (zzz) -0.00000000 (zzz) -0.00000000 (zzz) Max drift of fc2: -0.00000000 (yy) -0.00000000 (yy) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 9 5 3 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.42, Number of G-points: 313, Lambda: 0.10 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/30) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-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 2.98e-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 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| 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 2.337 ( 0.000 0.000 0.000) 0.000 2.491 ( 0.000 0.000 0.000) 0.000 2.936 ( 0.000 0.000 0.000) 0.000 2.953 ( 0.000 0.000 0.000) 0.000 2.972 ( 0.000 0.000 0.000) 0.000 3.052 ( 0.000 0.000 0.000) 0.000 3.152 ( 0.000 0.000 0.000) 0.000 3.316 ( 0.000 0.000 0.000) 0.000 3.394 ( 0.000 0.000 0.000) 0.000 3.541 ( 0.000 0.000 0.000) 0.000 3.576 ( 0.000 0.000 0.000) 0.000 3.655 ( 0.000 0.000 0.000) 0.000 3.889 ( 0.000 0.000 0.000) 0.000 3.970 ( 0.000 0.000 0.000) 0.000 3.987 ( 0.000 0.000 0.000) 0.000 4.071 ( 0.000 0.000 0.000) 0.000 4.099 ( 0.000 0.000 0.000) 0.000 4.215 ( 0.000 0.000 0.000) 0.000 4.248 ( 0.000 0.000 0.000) 0.000 4.428 ( 0.000 0.000 0.000) 0.000 4.597 ( 0.000 0.000 0.000) 0.000 4.633 ( 0.000 0.000 0.000) 0.000 4.729 ( 0.000 0.000 0.000) 0.000 4.771 ( 0.000 0.000 0.000) 0.000 4.878 ( 0.000 0.000 0.000) 0.000 4.879 ( 0.000 0.000 0.000) 0.000 4.985 ( 0.000 0.000 0.000) 0.000 4.997 ( 0.000 0.000 0.000) 0.000 5.013 ( 0.000 0.000 0.000) 0.000 5.112 ( 0.000 0.000 0.000) 0.000 5.130 ( 0.000 0.000 0.000) 0.000 5.153 ( 0.000 0.000 0.000) 0.000 5.173 ( 0.000 0.000 0.000) 0.000 5.194 ( 0.000 0.000 0.000) 0.000 5.281 ( 0.000 0.000 0.000) 0.000 5.283 ( 0.000 0.000 0.000) 0.000 5.495 ( 0.000 0.000 0.000) 0.000 5.548 ( 0.000 0.000 0.000) 0.000 5.652 ( 0.000 0.000 0.000) 0.000 5.708 ( 0.000 0.000 0.000) 0.000 5.798 ( 0.000 0.000 0.000) 0.000 5.847 ( 0.000 0.000 0.000) 0.000 5.864 ( 0.000 0.000 0.000) 0.000 5.912 ( 0.000 0.000 0.000) 0.000 6.052 ( 0.000 0.000 0.000) 0.000 6.103 ( 0.000 0.000 0.000) 0.000 6.145 ( 0.000 0.000 0.000) 0.000 6.200 ( 0.000 0.000 0.000) 0.000 6.227 ( 0.000 0.000 0.000) 0.000 6.242 ( 0.000 0.000 0.000) 0.000 6.304 ( 0.000 0.000 0.000) 0.000 6.342 ( 0.000 0.000 0.000) 0.000 6.351 ( 0.000 0.000 0.000) 0.000 6.357 ( 0.000 0.000 0.000) 0.000 6.444 ( 0.000 0.000 0.000) 0.000 6.527 ( 0.000 0.000 0.000) 0.000 6.584 ( 0.000 0.000 0.000) 0.000 6.609 ( 0.000 0.000 0.000) 0.000 6.684 ( 0.000 0.000 0.000) 0.000 6.743 ( 0.000 0.000 0.000) 0.000 6.750 ( 0.000 0.000 0.000) 0.000 6.819 ( 0.000 0.000 0.000) 0.000 6.983 ( 0.000 0.000 0.000) 0.000 7.178 ( 0.000 0.000 0.000) 0.000 7.186 ( 0.000 0.000 0.000) 0.000 7.206 ( 0.000 0.000 0.000) 0.000 7.286 ( 0.000 0.000 0.000) 0.000 7.404 ( 0.000 0.000 0.000) 0.000 7.494 ( 0.000 0.000 0.000) 0.000 7.502 ( 0.000 0.000 0.000) 0.000 7.640 ( 0.000 0.000 0.000) 0.000 7.641 ( 0.000 0.000 0.000) 0.000 7.698 ( 0.000 0.000 0.000) 0.000 7.770 ( 0.000 0.000 0.000) 0.000 7.874 ( 0.000 0.000 0.000) 0.000 7.880 ( 0.000 0.000 0.000) 0.000 7.895 ( 0.000 0.000 0.000) 0.000 7.990 ( 0.000 0.000 0.000) 0.000 8.079 ( 0.000 0.000 0.000) 0.000 8.183 ( 0.000 0.000 0.000) 0.000 8.201 ( 0.000 0.000 0.000) 0.000 8.276 ( 0.000 0.000 0.000) 0.000 8.377 ( 0.000 0.000 0.000) 0.000 8.417 ( 0.000 0.000 0.000) 0.000 8.427 ( 0.000 0.000 0.000) 0.000 8.494 ( 0.000 0.000 0.000) 0.000 8.546 ( 0.000 0.000 0.000) 0.000 8.587 ( 0.000 0.000 0.000) 0.000 8.612 ( 0.000 0.000 0.000) 0.000 8.698 ( 0.000 0.000 0.000) 0.000 8.776 ( 0.000 0.000 0.000) 0.000 8.908 ( 0.000 0.000 0.000) 0.000 8.924 ( 0.000 0.000 0.000) 0.000 8.991 ( 0.000 0.000 0.000) 0.000 9.006 ( 0.000 0.000 0.000) 0.000 9.092 ( 0.000 0.000 0.000) 0.000 9.177 ( 0.000 0.000 0.000) 0.000 9.231 ( 0.000 0.000 0.000) 0.000 9.276 ( 0.000 0.000 0.000) 0.000 9.370 ( 0.000 0.000 0.000) 0.000 9.372 ( 0.000 0.000 0.000) 0.000 9.470 ( 0.000 0.000 0.000) 0.000 9.484 ( 0.000 0.000 0.000) 0.000 9.541 ( 0.000 0.000 0.000) 0.000 9.755 ( 0.000 0.000 0.000) 0.000 9.823 ( 0.000 0.000 0.000) 0.000 9.876 ( 0.000 0.000 0.000) 0.000 9.944 ( 0.000 0.000 0.000) 0.000 10.050 ( 0.000 0.000 0.000) 0.000 10.279 ( 0.000 0.000 0.000) 0.000 10.370 ( 0.000 0.000 0.000) 0.000 10.439 ( 0.000 0.000 0.000) 0.000 10.484 ( 0.000 0.000 0.000) 0.000 10.535 ( 0.000 0.000 0.000) 0.000 10.569 ( 0.000 0.000 0.000) 0.000 10.855 ( 0.000 0.000 0.000) 0.000 10.949 ( 0.000 0.000 0.000) 0.000 10.967 ( 0.000 0.000 0.000) 0.000 10.999 ( 0.000 0.000 0.000) 0.000 11.068 ( 0.000 0.000 0.000) 0.000 11.092 ( 0.000 0.000 0.000) 0.000 11.100 ( 0.000 0.000 0.000) 0.000 11.198 ( 0.000 0.000 0.000) 0.000 11.232 ( 0.000 0.000 0.000) 0.000 11.246 ( 0.000 0.000 0.000) 0.000 11.465 ( 0.000 0.000 0.000) 0.000 11.521 ( 0.000 0.000 0.000) 0.000 11.556 ( 0.000 0.000 0.000) 0.000 11.588 ( 0.000 0.000 0.000) 0.000 11.666 ( 0.000 0.000 0.000) 0.000 11.755 ( 0.000 0.000 0.000) 0.000 11.871 ( 0.000 0.000 0.000) 0.000 11.897 ( 0.000 0.000 0.000) 0.000 11.979 ( 0.000 0.000 0.000) 0.000 12.075 ( 0.000 0.000 0.000) 0.000 12.149 ( 0.000 0.000 0.000) 0.000 12.282 ( 0.000 0.000 0.000) 0.000 12.436 ( 0.000 0.000 0.000) 0.000 12.539 ( 0.000 0.000 0.000) 0.000 12.628 ( 0.000 0.000 0.000) 0.000 12.694 ( 0.000 0.000 0.000) 0.000 12.878 ( 0.000 0.000 0.000) 0.000 13.017 ( 0.000 0.000 0.000) 0.000 13.110 ( 0.000 0.000 0.000) 0.000 13.308 ( 0.000 0.000 0.000) 0.000 13.414 ( 0.000 0.000 0.000) 0.000 13.446 ( 0.000 0.000 0.000) 0.000 13.492 ( 0.000 0.000 0.000) 0.000 13.645 ( 0.000 0.000 0.000) 0.000 13.684 ( 0.000 0.000 0.000) 0.000 13.703 ( 0.000 0.000 0.000) 0.000 13.961 ( 0.000 0.000 0.000) 0.000 13.972 ( 0.000 0.000 0.000) 0.000 14.428 ( 0.000 0.000 0.000) 0.000 14.591 ( 0.000 0.000 0.000) 0.000 14.695 ( 0.000 0.000 0.000) 0.000 14.833 ( 0.000 0.000 0.000) 0.000 14.905 ( 0.000 0.000 0.000) 0.000 15.046 ( 0.000 0.000 0.000) 0.000 15.131 ( 0.000 0.000 0.000) 0.000 15.158 ( 0.000 0.000 0.000) 0.000 15.316 ( 0.000 0.000 0.000) 0.000 15.349 ( 0.000 0.000 0.000) 0.000 15.556 ( 0.000 0.000 0.000) 0.000 15.592 ( 0.000 0.000 0.000) 0.000 15.644 ( 0.000 0.000 0.000) 0.000 15.685 ( 0.000 0.000 0.000) 0.000 15.806 ( 0.000 0.000 0.000) 0.000 15.806 ( 0.000 0.000 0.000) 0.000 16.073 ( 0.000 0.000 0.000) 0.000 16.212 ( 0.000 0.000 0.000) 0.000 16.226 ( 0.000 0.000 0.000) 0.000 16.298 ( 0.000 0.000 0.000) 0.000 16.766 ( 0.000 0.000 0.000) 0.000 16.871 ( 0.000 0.000 0.000) 0.000 16.918 ( 0.000 0.000 0.000) 0.000 16.977 ( 0.000 0.000 0.000) 0.000 17.487 ( 0.000 0.000 0.000) 0.000 17.992 ( 0.000 0.000 0.000) 0.000 18.032 ( 0.000 0.000 0.000) 0.000 18.517 ( 0.000 0.000 0.000) 0.000 18.586 ( 0.000 0.000 0.000) 0.000 19.171 ( 0.000 0.000 0.000) 0.000 19.382 ( 0.000 0.000 0.000) 0.000 19.384 ( 0.000 0.000 0.000) 0.000 19.465 ( 0.000 0.000 0.000) 0.000 19.471 ( 0.000 0.000 0.000) 0.000 19.512 ( 0.000 0.000 0.000) 0.000 19.554 ( 0.000 0.000 0.000) 0.000 19.915 ( 0.000 0.000 0.000) 0.000 19.969 ( 0.000 0.000 0.000) 0.000 20.349 ( 0.000 0.000 0.000) 0.000 20.864 ( 0.000 0.000 0.000) 0.000 21.782 ( 0.000 0.000 0.000) 0.000 21.857 ( 0.000 0.000 0.000) 0.000 21.904 ( 0.000 0.000 0.000) 0.000 21.925 ( 0.000 0.000 0.000) 0.000 22.336 ( 0.000 0.000 0.000) 0.000 22.336 ( 0.000 0.000 0.000) 0.000 22.681 ( 0.000 0.000 0.000) 0.000 22.687 ( 0.000 0.000 0.000) 0.000 23.027 ( 0.000 0.000 0.000) 0.000 23.117 ( 0.000 0.000 0.000) 0.000 23.250 ( 0.000 0.000 0.000) 0.000 23.266 ( 0.000 0.000 0.000) 0.000 25.559 ( 0.000 0.000 0.000) 0.000 25.604 ( 0.000 0.000 0.000) 0.000 25.622 ( 0.000 0.000 0.000) 0.000 25.976 ( 0.000 0.000 0.000) 0.000 26.438 ( 0.000 0.000 0.000) 0.000 26.514 ( 0.000 0.000 0.000) 0.000 27.068 ( 0.000 0.000 0.000) 0.000 27.131 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/30) ======================= q-point: ( 0.11 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-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 2.98e-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 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| 0.824 ( 42.837 0.000 0.000) 42.837 0.996 ( 49.788 0.000 0.000) 49.788 1.423 ( 72.742 0.000 0.000) 72.742 2.411 ( 7.749 0.000 0.000) 7.749 2.531 ( 3.963 0.000 0.000) 3.963 2.894 ( -4.050 0.000 0.000) 4.050 2.906 ( -4.648 0.000 0.000) 4.648 2.991 ( -2.780 0.000 0.000) 2.780 3.076 ( -6.783 0.000 0.000) 6.783 3.104 ( 6.663 0.000 0.000) 6.663 3.483 ( 15.743 0.000 0.000) 15.743 3.579 ( 1.168 0.000 0.000) 1.168 3.586 ( 18.079 0.000 0.000) 18.079 3.774 ( 10.500 0.000 0.000) 10.500 3.860 ( 27.049 0.000 0.000) 27.049 3.911 ( -3.585 0.000 0.000) 3.585 3.959 ( 0.336 0.000 0.000) 0.336 4.128 ( 6.571 0.000 0.000) 6.571 4.128 ( 4.363 0.000 0.000) 4.363 4.188 ( 5.195 0.000 0.000) 5.195 4.205 ( 5.673 0.000 0.000) 5.673 4.312 ( 0.406 0.000 0.000) 0.406 4.461 ( 4.574 0.000 0.000) 4.574 4.518 ( -0.300 0.000 0.000) 0.300 4.625 ( -6.831 0.000 0.000) 6.831 4.769 ( 2.917 0.000 0.000) 2.917 4.799 ( 2.562 0.000 0.000) 2.562 4.878 ( -0.302 0.000 0.000) 0.302 4.894 ( -4.787 0.000 0.000) 4.787 4.934 ( -1.790 0.000 0.000) 1.790 5.024 ( 0.558 0.000 0.000) 0.558 5.078 ( 7.787 0.000 0.000) 7.787 5.142 ( 2.065 0.000 0.000) 2.065 5.147 ( 3.705 0.000 0.000) 3.705 5.169 ( 0.863 0.000 0.000) 0.863 5.275 ( 6.189 0.000 0.000) 6.189 5.281 ( 7.932 0.000 0.000) 7.932 5.330 ( 4.403 0.000 0.000) 4.403 5.419 ( 6.806 0.000 0.000) 6.806 5.483 ( -0.873 0.000 0.000) 0.873 5.540 ( 3.660 0.000 0.000) 3.660 5.662 ( -2.309 0.000 0.000) 2.309 5.737 ( -5.206 0.000 0.000) 5.206 5.790 ( -0.302 0.000 0.000) 0.302 5.817 ( 4.599 0.000 0.000) 4.599 5.892 ( 1.151 0.000 0.000) 1.151 5.913 ( -2.121 0.000 0.000) 2.121 6.032 ( -4.652 0.000 0.000) 4.652 6.090 ( -8.601 0.000 0.000) 8.601 6.107 ( -1.189 0.000 0.000) 1.189 6.116 ( -4.721 0.000 0.000) 4.721 6.171 ( 0.366 0.000 0.000) 0.366 6.249 ( -1.631 0.000 0.000) 1.631 6.281 ( -2.532 0.000 0.000) 2.532 6.291 ( -0.099 0.000 0.000) 0.099 6.353 ( -0.210 0.000 0.000) 0.210 6.389 ( -3.126 0.000 0.000) 3.126 6.459 ( 3.535 0.000 0.000) 3.535 6.514 ( 0.386 0.000 0.000) 0.386 6.585 ( -3.813 0.000 0.000) 3.813 6.644 ( -1.429 0.000 0.000) 1.429 6.662 ( 6.918 0.000 0.000) 6.918 6.682 ( -3.911 0.000 0.000) 3.911 6.869 ( 7.600 0.000 0.000) 7.600 6.920 ( 7.202 0.000 0.000) 7.202 7.088 ( -4.080 0.000 0.000) 4.080 7.135 ( -2.309 0.000 0.000) 2.309 7.221 ( -2.181 0.000 0.000) 2.181 7.228 ( 2.347 0.000 0.000) 2.347 7.389 ( -4.088 0.000 0.000) 4.088 7.400 ( -1.088 0.000 0.000) 1.088 7.475 ( -0.532 0.000 0.000) 0.532 7.577 ( -6.797 0.000 0.000) 6.797 7.588 ( -3.643 0.000 0.000) 3.643 7.654 ( -2.730 0.000 0.000) 2.730 7.677 ( -8.029 0.000 0.000) 8.029 7.822 ( -0.227 0.000 0.000) 0.227 7.867 ( 0.001 0.000 0.000) 0.001 7.867 ( 5.467 0.000 0.000) 5.467 7.904 ( 1.807 0.000 0.000) 1.807 7.978 ( -0.690 0.000 0.000) 0.690 8.105 ( -8.689 0.000 0.000) 8.689 8.135 ( -4.020 0.000 0.000) 4.020 8.173 ( -0.706 0.000 0.000) 0.706 8.283 ( 2.207 0.000 0.000) 2.207 8.350 ( -5.010 0.000 0.000) 5.010 8.407 ( -2.159 0.000 0.000) 2.159 8.454 ( -6.448 0.000 0.000) 6.448 8.476 ( -0.040 0.000 0.000) 0.040 8.481 ( -4.868 0.000 0.000) 4.868 8.557 ( 5.470 0.000 0.000) 5.470 8.657 ( 5.113 0.000 0.000) 5.113 8.728 ( 3.041 0.000 0.000) 3.041 8.818 ( -0.820 0.000 0.000) 0.820 8.970 ( -2.977 0.000 0.000) 2.977 8.985 ( -9.027 0.000 0.000) 9.027 8.987 ( 0.961 0.000 0.000) 0.961 9.031 ( -2.386 0.000 0.000) 2.386 9.102 ( 8.800 0.000 0.000) 8.800 9.206 ( -1.905 0.000 0.000) 1.905 9.248 ( -2.188 0.000 0.000) 2.188 9.270 ( 3.611 0.000 0.000) 3.611 9.445 ( -1.018 0.000 0.000) 1.018 9.480 ( 7.703 0.000 0.000) 7.703 9.569 ( 7.329 0.000 0.000) 7.329 9.634 ( 5.876 0.000 0.000) 5.876 9.735 ( -0.761 0.000 0.000) 0.761 9.766 ( 1.009 0.000 0.000) 1.009 9.821 ( 0.388 0.000 0.000) 0.388 9.877 ( 0.404 0.000 0.000) 0.404 10.010 ( 3.858 0.000 0.000) 3.858 10.040 ( -1.096 0.000 0.000) 1.096 10.220 ( -5.478 0.000 0.000) 5.478 10.375 ( -11.066 0.000 0.000) 11.066 10.407 ( 3.209 0.000 0.000) 3.209 10.420 ( 3.182 0.000 0.000) 3.182 10.522 ( -5.124 0.000 0.000) 5.124 10.613 ( -1.808 0.000 0.000) 1.808 10.794 ( -1.419 0.000 0.000) 1.419 10.824 ( -3.136 0.000 0.000) 3.136 10.904 ( -12.812 0.000 0.000) 12.812 10.934 ( -4.254 0.000 0.000) 4.254 11.050 ( 1.138 0.000 0.000) 1.138 11.107 ( 2.920 0.000 0.000) 2.920 11.189 ( 4.386 0.000 0.000) 4.386 11.247 ( -1.779 0.000 0.000) 1.779 11.279 ( 5.413 0.000 0.000) 5.413 11.427 ( 5.923 0.000 0.000) 5.923 11.440 ( -3.102 0.000 0.000) 3.102 11.533 ( -6.679 0.000 0.000) 6.679 11.581 ( 1.051 0.000 0.000) 1.051 11.664 ( 5.457 0.000 0.000) 5.457 11.710 ( 2.922 0.000 0.000) 2.922 11.764 ( 1.450 0.000 0.000) 1.450 11.852 ( -9.550 0.000 0.000) 9.550 11.958 ( 5.169 0.000 0.000) 5.169 11.980 ( -10.040 0.000 0.000) 10.040 11.989 ( -9.095 0.000 0.000) 9.095 12.093 ( 1.984 0.000 0.000) 1.984 12.353 ( -7.179 0.000 0.000) 7.179 12.414 ( 1.783 0.000 0.000) 1.783 12.489 ( -2.198 0.000 0.000) 2.198 12.737 ( 5.358 0.000 0.000) 5.358 12.781 ( 3.002 0.000 0.000) 3.002 12.870 ( -0.633 0.000 0.000) 0.633 13.112 ( -1.114 0.000 0.000) 1.114 13.189 ( -5.506 0.000 0.000) 5.506 13.246 ( -4.494 0.000 0.000) 4.494 13.461 ( -0.167 0.000 0.000) 0.167 13.481 ( -6.657 0.000 0.000) 6.657 13.561 ( -1.264 0.000 0.000) 1.264 13.681 ( -0.442 0.000 0.000) 0.442 13.752 ( 1.887 0.000 0.000) 1.887 13.851 ( -7.274 0.000 0.000) 7.274 13.938 ( -1.201 0.000 0.000) 1.201 14.200 ( -4.340 0.000 0.000) 4.340 14.239 ( -11.959 0.000 0.000) 11.959 14.534 ( -8.260 0.000 0.000) 8.260 14.643 ( -11.302 0.000 0.000) 11.302 14.761 ( -6.791 0.000 0.000) 6.791 14.792 ( -10.595 0.000 0.000) 10.595 15.061 ( -8.495 0.000 0.000) 8.495 15.134 ( 6.619 0.000 0.000) 6.619 15.224 ( 0.435 0.000 0.000) 0.435 15.403 ( 3.410 0.000 0.000) 3.410 15.498 ( -0.353 0.000 0.000) 0.353 15.547 ( -4.370 0.000 0.000) 4.370 15.622 ( -2.831 0.000 0.000) 2.831 15.663 ( 4.958 0.000 0.000) 4.958 15.685 ( -0.206 0.000 0.000) 0.206 15.757 ( -4.426 0.000 0.000) 4.426 15.858 ( 9.660 0.000 0.000) 9.660 16.226 ( 0.735 0.000 0.000) 0.735 16.282 ( 11.708 0.000 0.000) 11.708 16.432 ( 11.247 0.000 0.000) 11.247 16.581 ( 17.814 0.000 0.000) 17.814 16.769 ( -0.737 0.000 0.000) 0.737 16.797 ( -4.609 0.000 0.000) 4.609 16.983 ( 0.757 0.000 0.000) 0.757 17.017 ( 6.146 0.000 0.000) 6.146 17.500 ( 1.112 0.000 0.000) 1.112 17.978 ( -1.268 0.000 0.000) 1.268 17.998 ( -3.411 0.000 0.000) 3.411 18.493 ( -3.249 0.000 0.000) 3.249 18.582 ( -0.208 0.000 0.000) 0.208 19.133 ( -4.345 0.000 0.000) 4.345 19.278 ( -9.936 0.000 0.000) 9.936 19.318 ( -11.459 0.000 0.000) 11.459 19.404 ( 0.814 0.000 0.000) 0.814 19.487 ( 0.869 0.000 0.000) 0.869 19.557 ( 3.906 0.000 0.000) 3.906 19.730 ( -3.418 0.000 0.000) 3.418 20.000 ( 6.356 0.000 0.000) 6.356 20.052 ( 6.944 0.000 0.000) 6.944 20.683 ( -16.532 0.000 0.000) 16.532 21.301 ( -10.772 0.000 0.000) 10.772 21.794 ( 1.085 0.000 0.000) 1.085 21.911 ( 0.588 0.000 0.000) 0.588 21.984 ( 3.477 0.000 0.000) 3.477 22.011 ( 7.104 0.000 0.000) 7.104 22.354 ( 1.649 0.000 0.000) 1.649 22.360 ( 2.453 0.000 0.000) 2.453 22.742 ( 5.701 0.000 0.000) 5.701 22.867 ( 3.690 0.000 0.000) 3.690 23.032 ( -4.606 0.000 0.000) 4.606 23.044 ( 1.717 0.000 0.000) 1.717 23.399 ( 9.650 0.000 0.000) 9.650 23.959 ( -0.317 0.000 0.000) 0.317 25.580 ( 2.046 0.000 0.000) 2.046 25.619 ( 1.529 0.000 0.000) 1.529 25.872 ( -1.090 0.000 0.000) 1.090 25.954 ( -2.121 0.000 0.000) 2.121 26.440 ( 0.231 0.000 0.000) 0.231 26.518 ( 0.361 0.000 0.000) 0.361 27.105 ( -2.785 0.000 0.000) 2.785 27.107 ( -3.257 0.000 0.000) 3.257 ======================= Grid point 2 (3/30) ======================= q-point: ( 0.22 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-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 2.98e-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 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| 1.630 ( 40.456 0.000 0.000) 40.456 1.869 ( 40.098 0.000 0.000) 40.098 2.600 ( 17.587 0.000 0.000) 17.587 2.632 ( 14.647 0.000 0.000) 14.647 2.715 ( 30.446 0.000 0.000) 30.446 2.830 ( -2.494 0.000 0.000) 2.494 2.833 ( 7.515 0.000 0.000) 7.515 3.032 ( 4.725 0.000 0.000) 4.725 3.057 ( 14.094 0.000 0.000) 14.094 3.287 ( 13.870 0.000 0.000) 13.870 3.602 ( 1.610 0.000 0.000) 1.610 3.731 ( 7.547 0.000 0.000) 7.547 3.820 ( -5.013 0.000 0.000) 5.013 3.950 ( -1.546 0.000 0.000) 1.546 3.973 ( 9.111 0.000 0.000) 9.111 3.982 ( 19.485 0.000 0.000) 19.485 4.136 ( -5.986 0.000 0.000) 5.986 4.178 ( -0.469 0.000 0.000) 0.469 4.258 ( 6.736 0.000 0.000) 6.736 4.278 ( 1.181 0.000 0.000) 1.181 4.333 ( 3.899 0.000 0.000) 3.899 4.473 ( 18.169 0.000 0.000) 18.169 4.553 ( 5.334 0.000 0.000) 5.334 4.586 ( 13.009 0.000 0.000) 13.009 4.696 ( 10.546 0.000 0.000) 10.546 4.740 ( -6.992 0.000 0.000) 6.992 4.814 ( -0.496 0.000 0.000) 0.496 4.881 ( 1.604 0.000 0.000) 1.604 4.884 ( 4.182 0.000 0.000) 4.182 4.959 ( 4.327 0.000 0.000) 4.327 5.071 ( 1.158 0.000 0.000) 1.158 5.072 ( 0.631 0.000 0.000) 0.631 5.169 ( -2.493 0.000 0.000) 2.493 5.196 ( 0.239 0.000 0.000) 0.239 5.215 ( 1.104 0.000 0.000) 1.104 5.369 ( 4.244 0.000 0.000) 4.244 5.380 ( 0.112 0.000 0.000) 0.112 5.471 ( 5.572 0.000 0.000) 5.572 5.519 ( 12.734 0.000 0.000) 12.734 5.543 ( -7.433 0.000 0.000) 7.433 5.577 ( -8.352 0.000 0.000) 8.352 5.611 ( 7.986 0.000 0.000) 7.986 5.694 ( 3.415 0.000 0.000) 3.415 5.734 ( -4.157 0.000 0.000) 4.157 5.824 ( 1.120 0.000 0.000) 1.120 5.856 ( -3.567 0.000 0.000) 3.567 5.897 ( 0.098 0.000 0.000) 0.098 5.998 ( 1.810 0.000 0.000) 1.810 6.014 ( -1.644 0.000 0.000) 1.644 6.079 ( -1.311 0.000 0.000) 1.311 6.084 ( -1.248 0.000 0.000) 1.248 6.126 ( 3.783 0.000 0.000) 3.783 6.211 ( -2.062 0.000 0.000) 2.062 6.311 ( 2.075 0.000 0.000) 2.075 6.320 ( 4.241 0.000 0.000) 4.241 6.344 ( -0.939 0.000 0.000) 0.939 6.384 ( -0.820 0.000 0.000) 0.820 6.473 ( 0.451 0.000 0.000) 0.451 6.533 ( 2.328 0.000 0.000) 2.328 6.574 ( 3.339 0.000 0.000) 3.339 6.598 ( -1.242 0.000 0.000) 1.242 6.690 ( 3.571 0.000 0.000) 3.571 6.807 ( 5.570 0.000 0.000) 5.570 6.952 ( 2.182 0.000 0.000) 2.182 6.958 ( -6.382 0.000 0.000) 6.382 7.037 ( 0.581 0.000 0.000) 0.581 7.118 ( -7.722 0.000 0.000) 7.722 7.136 ( -6.684 0.000 0.000) 6.684 7.169 ( 2.316 0.000 0.000) 2.316 7.335 ( -6.925 0.000 0.000) 6.925 7.336 ( -6.261 0.000 0.000) 6.261 7.374 ( -8.967 0.000 0.000) 8.967 7.457 ( 3.433 0.000 0.000) 3.433 7.531 ( 2.381 0.000 0.000) 2.381 7.665 ( -1.477 0.000 0.000) 1.477 7.681 ( 4.294 0.000 0.000) 4.294 7.819 ( 8.101 0.000 0.000) 8.101 7.826 ( -9.927 0.000 0.000) 9.927 7.897 ( -3.638 0.000 0.000) 3.638 7.926 ( 0.159 0.000 0.000) 0.159 7.958 ( -0.392 0.000 0.000) 0.392 8.048 ( 1.257 0.000 0.000) 1.257 8.112 ( 0.287 0.000 0.000) 0.287 8.166 ( -1.636 0.000 0.000) 1.636 8.220 ( -1.896 0.000 0.000) 1.896 8.249 ( -10.043 0.000 0.000) 10.043 8.382 ( 7.212 0.000 0.000) 7.212 8.422 ( -0.524 0.000 0.000) 0.524 8.435 ( 1.310 0.000 0.000) 1.310 8.474 ( -2.032 0.000 0.000) 2.032 8.674 ( 0.536 0.000 0.000) 0.536 8.709 ( 6.468 0.000 0.000) 6.468 8.795 ( -7.035 0.000 0.000) 7.035 8.824 ( 6.024 0.000 0.000) 6.024 8.848 ( 0.312 0.000 0.000) 0.312 8.866 ( -3.396 0.000 0.000) 3.396 8.936 ( -5.400 0.000 0.000) 5.400 9.018 ( 4.590 0.000 0.000) 4.590 9.143 ( -2.723 0.000 0.000) 2.723 9.231 ( 1.741 0.000 0.000) 1.741 9.233 ( -0.337 0.000 0.000) 0.337 9.352 ( -2.383 0.000 0.000) 2.383 9.450 ( 6.002 0.000 0.000) 6.002 9.513 ( -5.537 0.000 0.000) 5.537 9.619 ( -0.647 0.000 0.000) 0.647 9.731 ( -0.808 0.000 0.000) 0.808 9.747 ( 0.726 0.000 0.000) 0.726 9.758 ( 7.946 0.000 0.000) 7.946 9.857 ( 4.571 0.000 0.000) 4.571 9.956 ( -13.255 0.000 0.000) 13.255 9.968 ( 3.972 0.000 0.000) 3.972 10.123 ( -1.719 0.000 0.000) 1.719 10.135 ( 1.775 0.000 0.000) 1.775 10.232 ( 10.427 0.000 0.000) 10.427 10.427 ( -5.128 0.000 0.000) 5.128 10.437 ( -0.844 0.000 0.000) 0.844 10.525 ( 3.173 0.000 0.000) 3.173 10.540 ( 1.848 0.000 0.000) 1.848 10.661 ( -9.861 0.000 0.000) 9.861 10.799 ( -2.309 0.000 0.000) 2.309 10.848 ( 4.196 0.000 0.000) 4.196 10.905 ( 0.619 0.000 0.000) 0.619 11.044 ( -2.061 0.000 0.000) 2.061 11.176 ( -3.773 0.000 0.000) 3.773 11.181 ( 1.473 0.000 0.000) 1.473 11.198 ( -4.556 0.000 0.000) 4.556 11.292 ( -6.314 0.000 0.000) 6.314 11.363 ( -3.580 0.000 0.000) 3.580 11.442 ( -1.782 0.000 0.000) 1.782 11.481 ( -6.667 0.000 0.000) 6.667 11.547 ( -1.928 0.000 0.000) 1.928 11.641 ( -9.302 0.000 0.000) 9.302 11.671 ( -11.796 0.000 0.000) 11.796 11.742 ( 1.778 0.000 0.000) 1.778 11.767 ( 1.414 0.000 0.000) 1.414 11.837 ( -7.528 0.000 0.000) 7.528 11.874 ( -0.321 0.000 0.000) 0.321 11.995 ( 0.561 0.000 0.000) 0.561 12.094 ( -8.945 0.000 0.000) 8.945 12.204 ( -1.951 0.000 0.000) 1.951 12.353 ( -10.234 0.000 0.000) 10.234 12.414 ( -1.654 0.000 0.000) 1.654 12.728 ( -7.250 0.000 0.000) 7.250 12.859 ( 0.037 0.000 0.000) 0.037 12.890 ( 7.692 0.000 0.000) 7.692 13.026 ( -6.696 0.000 0.000) 6.696 13.122 ( -9.826 0.000 0.000) 9.826 13.144 ( -8.331 0.000 0.000) 8.331 13.209 ( -10.918 0.000 0.000) 10.918 13.420 ( -12.053 0.000 0.000) 12.053 13.443 ( -0.759 0.000 0.000) 0.759 13.656 ( -2.967 0.000 0.000) 2.967 13.695 ( -1.312 0.000 0.000) 1.312 13.854 ( -8.896 0.000 0.000) 8.896 13.937 ( 9.103 0.000 0.000) 9.103 14.059 ( -8.356 0.000 0.000) 8.356 14.102 ( -2.589 0.000 0.000) 2.589 14.365 ( -6.249 0.000 0.000) 6.249 14.487 ( -4.195 0.000 0.000) 4.195 14.638 ( -4.701 0.000 0.000) 4.701 14.667 ( -1.131 0.000 0.000) 1.131 14.840 ( -8.130 0.000 0.000) 8.130 15.219 ( 2.428 0.000 0.000) 2.428 15.243 ( -2.386 0.000 0.000) 2.386 15.413 ( 1.394 0.000 0.000) 1.394 15.458 ( -0.487 0.000 0.000) 0.487 15.604 ( -0.834 0.000 0.000) 0.834 15.627 ( 8.997 0.000 0.000) 8.997 15.727 ( 4.562 0.000 0.000) 4.562 15.794 ( 8.192 0.000 0.000) 8.192 15.813 ( 6.769 0.000 0.000) 6.769 16.056 ( 9.093 0.000 0.000) 9.093 16.259 ( 2.481 0.000 0.000) 2.481 16.455 ( 5.445 0.000 0.000) 5.445 16.639 ( 9.550 0.000 0.000) 9.550 16.690 ( -7.111 0.000 0.000) 7.111 16.701 ( -5.186 0.000 0.000) 5.186 16.841 ( 10.620 0.000 0.000) 10.620 17.058 ( 5.174 0.000 0.000) 5.174 17.123 ( 5.069 0.000 0.000) 5.069 17.516 ( 0.212 0.000 0.000) 0.212 17.907 ( -5.992 0.000 0.000) 5.992 17.952 ( -1.127 0.000 0.000) 1.127 18.396 ( -6.119 0.000 0.000) 6.119 18.595 ( 1.095 0.000 0.000) 1.095 18.984 ( -11.203 0.000 0.000) 11.203 19.048 ( -12.884 0.000 0.000) 12.884 19.108 ( -8.704 0.000 0.000) 8.704 19.405 ( -1.326 0.000 0.000) 1.326 19.474 ( -2.592 0.000 0.000) 2.592 19.670 ( 7.451 0.000 0.000) 7.451 19.688 ( -0.571 0.000 0.000) 0.571 20.106 ( 4.062 0.000 0.000) 4.062 20.188 ( 6.044 0.000 0.000) 6.044 20.330 ( -17.410 0.000 0.000) 17.410 21.057 ( -13.620 0.000 0.000) 13.620 21.824 ( 2.095 0.000 0.000) 2.095 21.925 ( 0.783 0.000 0.000) 0.783 22.052 ( 3.400 0.000 0.000) 3.400 22.130 ( 4.489 0.000 0.000) 4.489 22.391 ( 1.962 0.000 0.000) 1.962 22.414 ( 2.562 0.000 0.000) 2.562 22.867 ( 6.660 0.000 0.000) 6.660 22.952 ( 4.657 0.000 0.000) 4.657 22.995 ( 0.965 0.000 0.000) 0.965 23.087 ( 2.501 0.000 0.000) 2.501 23.584 ( 9.252 0.000 0.000) 9.252 23.953 ( -0.325 0.000 0.000) 0.325 25.629 ( 2.856 0.000 0.000) 2.856 25.660 ( 2.609 0.000 0.000) 2.609 25.850 ( -0.999 0.000 0.000) 0.999 25.903 ( -2.982 0.000 0.000) 2.982 26.446 ( 0.426 0.000 0.000) 0.426 26.527 ( 0.511 0.000 0.000) 0.511 27.025 ( -4.956 0.000 0.000) 4.956 27.028 ( -4.985 0.000 0.000) 4.985 ======================= Grid point 3 (4/30) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-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 2.98e-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 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| 2.283 ( 21.989 0.000 0.000) 21.989 2.522 ( 30.014 0.000 0.000) 30.014 2.659 ( -3.544 0.000 0.000) 3.544 2.881 ( 10.356 0.000 0.000) 10.356 2.883 ( 10.930 0.000 0.000) 10.930 2.906 ( 12.451 0.000 0.000) 12.451 3.184 ( 15.047 0.000 0.000) 15.047 3.296 ( 20.844 0.000 0.000) 20.844 3.322 ( 4.360 0.000 0.000) 4.360 3.644 ( 3.416 0.000 0.000) 3.416 3.741 ( -2.964 0.000 0.000) 2.964 3.776 ( -2.320 0.000 0.000) 2.320 3.825 ( 17.287 0.000 0.000) 17.287 3.922 ( -1.626 0.000 0.000) 1.626 4.029 ( -2.640 0.000 0.000) 2.640 4.057 ( -1.925 0.000 0.000) 1.925 4.124 ( 6.207 0.000 0.000) 6.207 4.203 ( 1.826 0.000 0.000) 1.826 4.291 ( -2.685 0.000 0.000) 2.685 4.347 ( 6.038 0.000 0.000) 6.038 4.491 ( 12.513 0.000 0.000) 12.513 4.608 ( 0.312 0.000 0.000) 0.312 4.621 ( -1.208 0.000 0.000) 1.208 4.712 ( 6.820 0.000 0.000) 6.820 4.732 ( 2.702 0.000 0.000) 2.702 4.821 ( 2.044 0.000 0.000) 2.044 4.868 ( 3.949 0.000 0.000) 3.949 4.904 ( -3.432 0.000 0.000) 3.432 4.956 ( 4.988 0.000 0.000) 4.988 5.054 ( -2.959 0.000 0.000) 2.959 5.087 ( 0.127 0.000 0.000) 0.127 5.133 ( 8.371 0.000 0.000) 8.371 5.149 ( 3.129 0.000 0.000) 3.129 5.167 ( -3.764 0.000 0.000) 3.764 5.247 ( 0.128 0.000 0.000) 0.128 5.261 ( -5.217 0.000 0.000) 5.217 5.432 ( 5.291 0.000 0.000) 5.291 5.484 ( -4.115 0.000 0.000) 4.115 5.485 ( 2.129 0.000 0.000) 2.129 5.550 ( -0.426 0.000 0.000) 0.426 5.624 ( -2.274 0.000 0.000) 2.274 5.644 ( 3.460 0.000 0.000) 3.460 5.656 ( 1.452 0.000 0.000) 1.452 5.738 ( 0.339 0.000 0.000) 0.339 5.870 ( -4.552 0.000 0.000) 4.552 5.879 ( 0.676 0.000 0.000) 0.676 5.986 ( 2.210 0.000 0.000) 2.210 6.006 ( 2.914 0.000 0.000) 2.914 6.025 ( 2.937 0.000 0.000) 2.937 6.116 ( 3.501 0.000 0.000) 3.501 6.152 ( 1.217 0.000 0.000) 1.217 6.152 ( 8.751 0.000 0.000) 8.751 6.286 ( 7.470 0.000 0.000) 7.470 6.289 ( -4.726 0.000 0.000) 4.726 6.306 ( -0.090 0.000 0.000) 0.090 6.364 ( 2.276 0.000 0.000) 2.276 6.403 ( 1.473 0.000 0.000) 1.473 6.507 ( 3.315 0.000 0.000) 3.315 6.548 ( -2.225 0.000 0.000) 2.225 6.629 ( 2.913 0.000 0.000) 2.913 6.670 ( -1.034 0.000 0.000) 1.034 6.799 ( 7.519 0.000 0.000) 7.519 6.823 ( 0.974 0.000 0.000) 0.974 6.856 ( 1.020 0.000 0.000) 1.020 6.894 ( -9.027 0.000 0.000) 9.027 6.981 ( -6.770 0.000 0.000) 6.770 7.026 ( 0.104 0.000 0.000) 0.104 7.132 ( 7.888 0.000 0.000) 7.888 7.174 ( -2.112 0.000 0.000) 2.112 7.204 ( -4.817 0.000 0.000) 4.817 7.289 ( 3.097 0.000 0.000) 3.097 7.306 ( -0.737 0.000 0.000) 0.737 7.532 ( -2.028 0.000 0.000) 2.028 7.559 ( -10.489 0.000 0.000) 10.489 7.626 ( 9.716 0.000 0.000) 9.716 7.708 ( 1.260 0.000 0.000) 1.260 7.715 ( -10.937 0.000 0.000) 10.937 7.774 ( -3.012 0.000 0.000) 3.012 7.822 ( -3.257 0.000 0.000) 3.257 7.924 ( -3.268 0.000 0.000) 3.268 7.975 ( -0.509 0.000 0.000) 0.509 8.029 ( 4.196 0.000 0.000) 4.196 8.056 ( -2.464 0.000 0.000) 2.464 8.164 ( -1.491 0.000 0.000) 1.491 8.207 ( 3.695 0.000 0.000) 3.695 8.281 ( -8.716 0.000 0.000) 8.716 8.314 ( 10.593 0.000 0.000) 10.593 8.490 ( 0.169 0.000 0.000) 0.169 8.560 ( 5.442 0.000 0.000) 5.442 8.570 ( 9.753 0.000 0.000) 9.753 8.630 ( -3.647 0.000 0.000) 3.647 8.713 ( -4.114 0.000 0.000) 4.114 8.787 ( 2.785 0.000 0.000) 2.785 8.799 ( 3.868 0.000 0.000) 3.868 8.844 ( -1.002 0.000 0.000) 1.002 8.941 ( -0.117 0.000 0.000) 0.117 8.969 ( 9.871 0.000 0.000) 9.871 9.081 ( -4.079 0.000 0.000) 4.079 9.139 ( 0.275 0.000 0.000) 0.275 9.231 ( 5.089 0.000 0.000) 5.089 9.296 ( 0.211 0.000 0.000) 0.211 9.359 ( 16.578 0.000 0.000) 16.578 9.422 ( -2.316 0.000 0.000) 2.316 9.554 ( 3.305 0.000 0.000) 3.305 9.572 ( -1.006 0.000 0.000) 1.006 9.633 ( -8.498 0.000 0.000) 8.498 9.734 ( 0.030 0.000 0.000) 0.030 9.833 ( 8.101 0.000 0.000) 8.101 9.930 ( 9.333 0.000 0.000) 9.333 10.012 ( 5.765 0.000 0.000) 5.765 10.029 ( 2.290 0.000 0.000) 2.290 10.087 ( -5.253 0.000 0.000) 5.253 10.223 ( 3.676 0.000 0.000) 3.676 10.249 ( -5.230 0.000 0.000) 5.230 10.442 ( -10.801 0.000 0.000) 10.801 10.466 ( 1.839 0.000 0.000) 1.839 10.494 ( 7.801 0.000 0.000) 7.801 10.528 ( -4.220 0.000 0.000) 4.220 10.590 ( -0.142 0.000 0.000) 0.142 10.720 ( -6.131 0.000 0.000) 6.131 10.901 ( -3.002 0.000 0.000) 3.002 10.923 ( 0.001 0.000 0.000) 0.001 10.983 ( -1.671 0.000 0.000) 1.671 11.043 ( -9.276 0.000 0.000) 9.276 11.071 ( -8.715 0.000 0.000) 8.715 11.083 ( -7.504 0.000 0.000) 7.504 11.190 ( -2.179 0.000 0.000) 2.179 11.215 ( -10.761 0.000 0.000) 10.761 11.300 ( -15.279 0.000 0.000) 15.279 11.370 ( -1.078 0.000 0.000) 1.078 11.430 ( -7.967 0.000 0.000) 7.967 11.523 ( -3.698 0.000 0.000) 3.698 11.575 ( -0.565 0.000 0.000) 0.565 11.593 ( -14.478 0.000 0.000) 14.478 11.681 ( -10.619 0.000 0.000) 10.619 11.713 ( -2.736 0.000 0.000) 2.736 11.902 ( 1.786 0.000 0.000) 1.786 11.999 ( -4.610 0.000 0.000) 4.610 12.002 ( 1.580 0.000 0.000) 1.580 12.060 ( -10.601 0.000 0.000) 10.601 12.156 ( -6.931 0.000 0.000) 6.931 12.393 ( -6.498 0.000 0.000) 6.498 12.612 ( -1.695 0.000 0.000) 1.695 12.779 ( -11.780 0.000 0.000) 11.780 12.826 ( -14.938 0.000 0.000) 14.938 12.872 ( -3.691 0.000 0.000) 3.691 12.912 ( -5.475 0.000 0.000) 5.475 13.013 ( 2.574 0.000 0.000) 2.574 13.176 ( 1.363 0.000 0.000) 1.363 13.362 ( 3.472 0.000 0.000) 3.472 13.430 ( -2.209 0.000 0.000) 2.209 13.525 ( -7.608 0.000 0.000) 7.608 13.675 ( -1.101 0.000 0.000) 1.101 13.709 ( -4.301 0.000 0.000) 4.301 13.950 ( -2.829 0.000 0.000) 2.829 14.017 ( -1.692 0.000 0.000) 1.692 14.153 ( 6.929 0.000 0.000) 6.929 14.357 ( 5.309 0.000 0.000) 5.309 14.429 ( -3.003 0.000 0.000) 3.003 14.593 ( -0.190 0.000 0.000) 0.190 14.654 ( -2.235 0.000 0.000) 2.235 14.825 ( 2.788 0.000 0.000) 2.788 15.161 ( -1.760 0.000 0.000) 1.760 15.288 ( 5.444 0.000 0.000) 5.444 15.447 ( 0.786 0.000 0.000) 0.786 15.531 ( 5.749 0.000 0.000) 5.749 15.581 ( -1.666 0.000 0.000) 1.666 15.715 ( 0.888 0.000 0.000) 0.888 15.889 ( 10.789 0.000 0.000) 10.789 15.941 ( 6.814 0.000 0.000) 6.814 15.971 ( 9.058 0.000 0.000) 9.058 16.175 ( 2.977 0.000 0.000) 2.977 16.290 ( 0.049 0.000 0.000) 0.049 16.494 ( -3.447 0.000 0.000) 3.447 16.541 ( -4.988 0.000 0.000) 4.988 16.607 ( -4.184 0.000 0.000) 4.184 16.800 ( 7.356 0.000 0.000) 7.356 17.012 ( 6.450 0.000 0.000) 6.450 17.121 ( 1.787 0.000 0.000) 1.787 17.223 ( 5.278 0.000 0.000) 5.278 17.499 ( -1.729 0.000 0.000) 1.729 17.775 ( -7.580 0.000 0.000) 7.580 17.951 ( 1.431 0.000 0.000) 1.431 18.271 ( -6.930 0.000 0.000) 6.930 18.604 ( -0.706 0.000 0.000) 0.706 18.767 ( -10.039 0.000 0.000) 10.039 18.839 ( -7.421 0.000 0.000) 7.421 18.966 ( -6.693 0.000 0.000) 6.693 19.356 ( -3.157 0.000 0.000) 3.157 19.399 ( -4.407 0.000 0.000) 4.407 19.701 ( 1.483 0.000 0.000) 1.483 19.816 ( 6.687 0.000 0.000) 6.687 20.022 ( -10.961 0.000 0.000) 10.961 20.143 ( -0.276 0.000 0.000) 0.276 20.330 ( 6.357 0.000 0.000) 6.357 20.806 ( -12.105 0.000 0.000) 12.105 21.869 ( 2.390 0.000 0.000) 2.390 21.937 ( 0.339 0.000 0.000) 0.339 22.113 ( 2.920 0.000 0.000) 2.920 22.183 ( 1.319 0.000 0.000) 1.319 22.424 ( 1.407 0.000 0.000) 1.407 22.445 ( 0.761 0.000 0.000) 0.761 22.982 ( 5.070 0.000 0.000) 5.070 23.031 ( 3.262 0.000 0.000) 3.262 23.049 ( 3.819 0.000 0.000) 3.819 23.129 ( 1.677 0.000 0.000) 1.677 23.744 ( 7.194 0.000 0.000) 7.194 23.945 ( -0.683 0.000 0.000) 0.683 25.682 ( 2.559 0.000 0.000) 2.559 25.714 ( 2.757 0.000 0.000) 2.757 25.836 ( -0.560 0.000 0.000) 0.560 25.847 ( -2.718 0.000 0.000) 2.718 26.460 ( 1.145 0.000 0.000) 1.145 26.534 ( 0.145 0.000 0.000) 0.145 26.927 ( -5.044 0.000 0.000) 5.044 26.930 ( -4.615 0.000 0.000) 4.615 ======================= Grid point 4 (5/30) ======================= q-point: ( 0.44 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-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 2.98e-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 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| 2.484 ( 4.959 0.000 0.000) 4.959 2.573 ( -4.721 0.000 0.000) 4.721 2.960 ( 11.030 0.000 0.000) 11.030 3.026 ( 2.937 0.000 0.000) 2.937 3.143 ( 12.809 0.000 0.000) 12.809 3.237 ( 22.638 0.000 0.000) 22.638 3.293 ( -3.586 0.000 0.000) 3.586 3.464 ( 7.204 0.000 0.000) 7.204 3.572 ( 3.750 0.000 0.000) 3.750 3.675 ( -8.916 0.000 0.000) 8.916 3.709 ( -1.038 0.000 0.000) 1.038 3.764 ( -7.201 0.000 0.000) 7.201 3.862 ( 17.585 0.000 0.000) 17.585 3.892 ( -2.819 0.000 0.000) 2.819 3.965 ( -4.506 0.000 0.000) 4.506 3.994 ( 3.107 0.000 0.000) 3.107 4.184 ( -5.161 0.000 0.000) 5.161 4.240 ( -6.107 0.000 0.000) 6.107 4.286 ( 9.350 0.000 0.000) 9.350 4.426 ( -1.597 0.000 0.000) 1.597 4.515 ( -0.473 0.000 0.000) 0.473 4.593 ( -2.820 0.000 0.000) 2.820 4.711 ( -1.132 0.000 0.000) 1.132 4.734 ( 6.127 0.000 0.000) 6.127 4.791 ( -2.698 0.000 0.000) 2.698 4.843 ( -3.140 0.000 0.000) 3.140 4.908 ( 0.215 0.000 0.000) 0.215 4.909 ( 4.356 0.000 0.000) 4.356 5.015 ( -0.700 0.000 0.000) 0.700 5.017 ( 3.596 0.000 0.000) 3.596 5.103 ( -0.959 0.000 0.000) 0.959 5.104 ( -4.490 0.000 0.000) 4.490 5.209 ( 9.633 0.000 0.000) 9.633 5.212 ( 2.031 0.000 0.000) 2.031 5.214 ( -2.298 0.000 0.000) 2.298 5.320 ( 9.032 0.000 0.000) 9.032 5.454 ( 0.799 0.000 0.000) 0.799 5.462 ( -8.413 0.000 0.000) 8.413 5.550 ( -3.834 0.000 0.000) 3.834 5.553 ( 4.543 0.000 0.000) 4.543 5.583 ( -3.269 0.000 0.000) 3.269 5.616 ( -0.550 0.000 0.000) 0.550 5.711 ( 1.501 0.000 0.000) 1.501 5.758 ( 4.623 0.000 0.000) 4.623 5.848 ( 2.771 0.000 0.000) 2.771 5.919 ( 0.443 0.000 0.000) 0.443 5.968 ( 6.456 0.000 0.000) 6.456 6.022 ( -6.664 0.000 0.000) 6.664 6.045 ( 0.955 0.000 0.000) 0.955 6.063 ( -1.497 0.000 0.000) 1.497 6.208 ( -2.968 0.000 0.000) 2.968 6.238 ( 2.748 0.000 0.000) 2.748 6.246 ( -6.179 0.000 0.000) 6.179 6.353 ( 1.973 0.000 0.000) 1.973 6.365 ( 0.826 0.000 0.000) 0.826 6.374 ( 1.645 0.000 0.000) 1.645 6.443 ( -4.816 0.000 0.000) 4.816 6.479 ( 1.905 0.000 0.000) 1.905 6.568 ( 6.468 0.000 0.000) 6.468 6.650 ( -0.360 0.000 0.000) 0.360 6.697 ( 4.818 0.000 0.000) 4.818 6.800 ( -3.356 0.000 0.000) 3.356 6.824 ( 2.924 0.000 0.000) 2.924 6.884 ( 1.089 0.000 0.000) 1.089 6.890 ( 3.406 0.000 0.000) 3.406 6.919 ( -5.106 0.000 0.000) 5.106 7.118 ( -0.129 0.000 0.000) 0.129 7.147 ( 4.279 0.000 0.000) 4.279 7.175 ( 3.523 0.000 0.000) 3.523 7.241 ( -7.157 0.000 0.000) 7.157 7.261 ( -2.110 0.000 0.000) 2.110 7.320 ( 6.393 0.000 0.000) 6.393 7.442 ( -4.734 0.000 0.000) 4.734 7.501 ( -6.459 0.000 0.000) 6.459 7.527 ( 1.426 0.000 0.000) 1.426 7.590 ( -1.625 0.000 0.000) 1.625 7.672 ( -2.246 0.000 0.000) 2.246 7.730 ( -7.028 0.000 0.000) 7.028 7.934 ( 8.191 0.000 0.000) 8.191 7.937 ( 2.268 0.000 0.000) 2.268 8.033 ( 10.246 0.000 0.000) 10.246 8.055 ( -0.539 0.000 0.000) 0.539 8.088 ( -4.144 0.000 0.000) 4.144 8.131 ( 4.323 0.000 0.000) 4.323 8.190 ( 3.426 0.000 0.000) 3.426 8.367 ( 9.581 0.000 0.000) 9.581 8.379 ( -7.708 0.000 0.000) 7.708 8.451 ( -13.666 0.000 0.000) 13.666 8.474 ( 2.016 0.000 0.000) 2.016 8.581 ( -4.319 0.000 0.000) 4.319 8.651 ( -0.268 0.000 0.000) 0.268 8.697 ( -7.471 0.000 0.000) 7.471 8.724 ( 6.359 0.000 0.000) 6.359 8.882 ( -4.855 0.000 0.000) 4.855 8.901 ( 6.621 0.000 0.000) 6.621 8.961 ( -2.016 0.000 0.000) 2.016 9.050 ( 10.114 0.000 0.000) 10.114 9.123 ( 1.654 0.000 0.000) 1.654 9.267 ( 11.309 0.000 0.000) 11.309 9.291 ( 3.308 0.000 0.000) 3.308 9.371 ( 4.296 0.000 0.000) 4.296 9.479 ( -0.226 0.000 0.000) 0.226 9.552 ( -2.955 0.000 0.000) 2.955 9.574 ( -3.254 0.000 0.000) 3.254 9.666 ( 21.719 0.000 0.000) 21.719 9.730 ( 12.212 0.000 0.000) 12.212 9.795 ( 2.097 0.000 0.000) 2.097 9.931 ( -4.138 0.000 0.000) 4.138 9.998 ( 5.358 0.000 0.000) 5.358 9.999 ( -6.692 0.000 0.000) 6.692 10.099 ( -3.525 0.000 0.000) 3.525 10.111 ( -2.597 0.000 0.000) 2.597 10.147 ( -0.352 0.000 0.000) 0.352 10.190 ( 14.660 0.000 0.000) 14.660 10.298 ( -5.886 0.000 0.000) 5.886 10.369 ( -4.868 0.000 0.000) 4.868 10.474 ( -11.467 0.000 0.000) 11.467 10.486 ( -8.216 0.000 0.000) 8.216 10.598 ( -5.421 0.000 0.000) 5.421 10.606 ( 5.357 0.000 0.000) 5.357 10.765 ( -12.689 0.000 0.000) 12.689 10.783 ( -7.985 0.000 0.000) 7.985 10.888 ( -3.204 0.000 0.000) 3.204 10.937 ( -4.066 0.000 0.000) 4.066 10.974 ( 2.496 0.000 0.000) 2.496 11.032 ( 2.331 0.000 0.000) 2.331 11.083 ( -2.761 0.000 0.000) 2.761 11.130 ( -3.250 0.000 0.000) 3.250 11.146 ( -0.437 0.000 0.000) 0.437 11.314 ( -9.200 0.000 0.000) 9.200 11.324 ( -5.783 0.000 0.000) 5.783 11.353 ( -9.795 0.000 0.000) 9.795 11.456 ( -1.118 0.000 0.000) 1.118 11.473 ( 3.784 0.000 0.000) 3.784 11.691 ( -0.764 0.000 0.000) 0.764 11.693 ( 8.700 0.000 0.000) 8.700 11.766 ( -11.352 0.000 0.000) 11.352 11.888 ( -4.717 0.000 0.000) 4.717 12.021 ( -1.534 0.000 0.000) 1.534 12.045 ( 3.617 0.000 0.000) 3.617 12.070 ( -2.568 0.000 0.000) 2.568 12.164 ( -10.010 0.000 0.000) 10.010 12.625 ( -2.704 0.000 0.000) 2.704 12.649 ( 3.338 0.000 0.000) 3.338 12.691 ( -7.951 0.000 0.000) 7.951 12.701 ( -1.963 0.000 0.000) 1.963 12.964 ( 3.945 0.000 0.000) 3.945 13.022 ( -1.549 0.000 0.000) 1.549 13.221 ( 3.218 0.000 0.000) 3.218 13.311 ( -6.386 0.000 0.000) 6.386 13.452 ( 4.684 0.000 0.000) 4.684 13.497 ( 0.303 0.000 0.000) 0.303 13.648 ( -2.072 0.000 0.000) 2.072 13.648 ( -1.483 0.000 0.000) 1.483 13.938 ( 1.039 0.000 0.000) 1.039 13.973 ( -2.336 0.000 0.000) 2.336 14.266 ( 5.160 0.000 0.000) 5.160 14.358 ( -4.345 0.000 0.000) 4.345 14.508 ( 7.834 0.000 0.000) 7.834 14.604 ( -3.078 0.000 0.000) 3.078 14.628 ( 4.353 0.000 0.000) 4.353 14.763 ( -7.736 0.000 0.000) 7.736 15.259 ( 8.916 0.000 0.000) 8.916 15.386 ( -0.375 0.000 0.000) 0.375 15.435 ( 1.895 0.000 0.000) 1.895 15.522 ( -4.090 0.000 0.000) 4.090 15.641 ( 4.626 0.000 0.000) 4.626 15.703 ( -1.899 0.000 0.000) 1.899 16.060 ( 5.425 0.000 0.000) 5.425 16.085 ( 7.747 0.000 0.000) 7.747 16.132 ( 7.216 0.000 0.000) 7.216 16.178 ( -0.818 0.000 0.000) 0.818 16.255 ( -3.350 0.000 0.000) 3.350 16.327 ( -9.798 0.000 0.000) 9.798 16.530 ( 0.428 0.000 0.000) 0.428 16.549 ( -1.836 0.000 0.000) 1.836 16.929 ( 6.117 0.000 0.000) 6.117 17.027 ( -3.655 0.000 0.000) 3.655 17.200 ( 5.770 0.000 0.000) 5.770 17.281 ( -1.077 0.000 0.000) 1.077 17.499 ( 3.605 0.000 0.000) 3.605 17.623 ( -7.912 0.000 0.000) 7.912 18.013 ( 4.958 0.000 0.000) 4.958 18.133 ( -7.149 0.000 0.000) 7.149 18.580 ( -0.461 0.000 0.000) 0.461 18.621 ( -4.963 0.000 0.000) 4.963 18.787 ( 1.147 0.000 0.000) 1.147 18.850 ( -5.027 0.000 0.000) 5.027 19.312 ( -0.936 0.000 0.000) 0.936 19.328 ( -2.576 0.000 0.000) 2.576 19.740 ( 2.732 0.000 0.000) 2.732 19.814 ( -4.954 0.000 0.000) 4.954 19.996 ( 5.718 0.000 0.000) 5.718 20.099 ( -4.182 0.000 0.000) 4.182 20.454 ( 6.805 0.000 0.000) 6.805 20.603 ( -9.006 0.000 0.000) 9.006 21.910 ( 1.781 0.000 0.000) 1.781 21.934 ( -0.685 0.000 0.000) 0.685 22.162 ( 2.042 0.000 0.000) 2.042 22.188 ( -0.636 0.000 0.000) 0.636 22.444 ( 0.668 0.000 0.000) 0.668 22.451 ( -0.088 0.000 0.000) 0.088 23.054 ( 2.354 0.000 0.000) 2.354 23.070 ( 0.707 0.000 0.000) 0.707 23.115 ( 2.619 0.000 0.000) 2.619 23.143 ( -0.330 0.000 0.000) 0.330 23.856 ( 4.545 0.000 0.000) 4.545 23.920 ( -2.135 0.000 0.000) 2.135 25.726 ( 2.051 0.000 0.000) 2.051 25.750 ( 0.319 0.000 0.000) 0.319 25.810 ( -0.480 0.000 0.000) 0.480 25.823 ( -0.929 0.000 0.000) 0.929 26.492 ( 1.988 0.000 0.000) 1.988 26.525 ( -1.209 0.000 0.000) 1.209 26.856 ( -1.912 0.000 0.000) 1.912 26.861 ( -2.255 0.000 0.000) 2.255 ======================= Grid point 9 (6/30) ======================= q-point: ( 0.00 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-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 2.98e-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 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| 0.834 ( 0.000 44.998 0.000) 44.998 0.856 ( 0.000 43.522 0.000) 43.522 1.554 ( 0.000 80.089 0.000) 80.089 2.525 ( 0.000 17.738 0.000) 17.738 2.606 ( 0.000 -0.046 0.000) 0.046 2.871 ( 0.000 1.854 0.000) 1.854 2.988 ( 0.000 4.039 0.000) 4.039 3.046 ( 0.000 -25.144 0.000) 25.144 3.101 ( 0.000 7.555 0.000) 7.555 3.209 ( 0.000 4.503 0.000) 4.503 3.233 ( 0.000 11.358 0.000) 11.358 3.375 ( 0.000 6.226 0.000) 6.226 3.518 ( 0.000 -7.229 0.000) 7.229 3.548 ( 0.000 -5.152 0.000) 5.152 3.749 ( 0.000 7.795 0.000) 7.795 3.877 ( 0.000 -0.379 0.000) 0.379 3.982 ( 0.000 -7.047 0.000) 7.047 4.007 ( 0.000 2.280 0.000) 2.280 4.131 ( 0.000 10.909 0.000) 10.909 4.198 ( 0.000 -6.273 0.000) 6.273 4.230 ( 0.000 10.605 0.000) 10.605 4.359 ( 0.000 -7.225 0.000) 7.225 4.468 ( 0.000 -5.029 0.000) 5.029 4.533 ( 0.000 -9.555 0.000) 9.555 4.597 ( 0.000 -3.668 0.000) 3.668 4.685 ( 0.000 -4.715 0.000) 4.715 4.689 ( 0.000 -3.811 0.000) 3.811 4.823 ( 0.000 -2.697 0.000) 2.697 4.825 ( 0.000 -2.950 0.000) 2.950 4.918 ( 0.000 0.507 0.000) 0.507 5.074 ( 0.000 1.742 0.000) 1.742 5.074 ( 0.000 1.534 0.000) 1.534 5.118 ( 0.000 -4.524 0.000) 4.524 5.128 ( 0.000 -6.367 0.000) 6.367 5.166 ( 0.000 3.658 0.000) 3.658 5.199 ( 0.000 6.626 0.000) 6.626 5.236 ( 0.000 -0.787 0.000) 0.787 5.324 ( 0.000 3.327 0.000) 3.327 5.336 ( 0.000 4.423 0.000) 4.423 5.513 ( 0.000 1.231 0.000) 1.231 5.593 ( 0.000 0.513 0.000) 0.513 5.687 ( 0.000 3.469 0.000) 3.469 5.720 ( 0.000 -0.492 0.000) 0.492 5.796 ( 0.000 4.244 0.000) 4.244 5.821 ( 0.000 -0.862 0.000) 0.862 5.871 ( 0.000 -3.144 0.000) 3.144 5.905 ( 0.000 -1.835 0.000) 1.835 5.916 ( 0.000 -7.559 0.000) 7.559 6.028 ( 0.000 -16.473 0.000) 16.473 6.126 ( 0.000 -3.183 0.000) 3.183 6.136 ( 0.000 -5.056 0.000) 5.056 6.204 ( 0.000 -0.056 0.000) 0.056 6.218 ( 0.000 3.641 0.000) 3.641 6.292 ( 0.000 -2.142 0.000) 2.142 6.324 ( 0.000 -1.596 0.000) 1.596 6.381 ( 0.000 8.268 0.000) 8.268 6.410 ( 0.000 -1.689 0.000) 1.689 6.442 ( 0.000 6.191 0.000) 6.191 6.535 ( 0.000 -6.597 0.000) 6.597 6.583 ( 0.000 2.550 0.000) 2.550 6.672 ( 0.000 -5.911 0.000) 5.911 6.711 ( 0.000 5.061 0.000) 5.061 6.743 ( 0.000 0.864 0.000) 0.864 6.950 ( 0.000 -3.673 0.000) 3.673 6.974 ( 0.000 -2.999 0.000) 2.999 7.002 ( 0.000 12.719 0.000) 12.719 7.061 ( 0.000 -6.669 0.000) 6.669 7.182 ( 0.000 -2.631 0.000) 2.631 7.353 ( 0.000 -1.737 0.000) 1.737 7.390 ( 0.000 -3.013 0.000) 3.013 7.399 ( 0.000 -2.395 0.000) 2.395 7.525 ( 0.000 -7.453 0.000) 7.453 7.541 ( 0.000 0.538 0.000) 0.538 7.623 ( 0.000 2.701 0.000) 2.701 7.717 ( 0.000 -2.628 0.000) 2.628 7.798 ( 0.000 9.311 0.000) 9.311 7.809 ( 0.000 -0.197 0.000) 0.197 7.857 ( 0.000 -0.398 0.000) 0.398 7.858 ( 0.000 -0.656 0.000) 0.656 8.008 ( 0.000 -4.389 0.000) 4.389 8.059 ( 0.000 3.765 0.000) 3.765 8.083 ( 0.000 -4.255 0.000) 4.255 8.194 ( 0.000 -0.424 0.000) 0.424 8.247 ( 0.000 7.232 0.000) 7.232 8.309 ( 0.000 1.344 0.000) 1.344 8.345 ( 0.000 -5.448 0.000) 5.448 8.372 ( 0.000 -2.584 0.000) 2.584 8.454 ( 0.000 -2.359 0.000) 2.359 8.465 ( 0.000 0.951 0.000) 0.951 8.537 ( 0.000 -3.611 0.000) 3.611 8.633 ( 0.000 -3.284 0.000) 3.284 8.647 ( 0.000 2.589 0.000) 2.589 8.681 ( 0.000 -3.833 0.000) 3.833 8.786 ( 0.000 0.636 0.000) 0.636 8.853 ( 0.000 -1.269 0.000) 1.269 8.899 ( 0.000 0.246 0.000) 0.246 9.026 ( 0.000 1.726 0.000) 1.726 9.062 ( 0.000 6.452 0.000) 6.452 9.136 ( 0.000 0.106 0.000) 0.106 9.204 ( 0.000 2.241 0.000) 2.241 9.224 ( 0.000 -1.936 0.000) 1.936 9.316 ( 0.000 -0.883 0.000) 0.883 9.382 ( 0.000 -5.857 0.000) 5.857 9.391 ( 0.000 1.700 0.000) 1.700 9.440 ( 0.000 -0.922 0.000) 0.922 9.544 ( 0.000 6.714 0.000) 6.714 9.684 ( 0.000 3.274 0.000) 3.274 9.768 ( 0.000 -1.965 0.000) 1.965 9.787 ( 0.000 -0.822 0.000) 0.822 9.915 ( 0.000 -2.082 0.000) 2.082 9.972 ( 0.000 8.972 0.000) 8.972 10.117 ( 0.000 4.587 0.000) 4.587 10.291 ( 0.000 -9.027 0.000) 9.027 10.346 ( 0.000 -0.441 0.000) 0.441 10.440 ( 0.000 -1.089 0.000) 1.089 10.443 ( 0.000 1.732 0.000) 1.732 10.570 ( 0.000 4.852 0.000) 4.852 10.623 ( 0.000 -2.416 0.000) 2.416 10.781 ( 0.000 -2.441 0.000) 2.441 10.817 ( 0.000 -6.883 0.000) 6.883 10.922 ( 0.000 -8.161 0.000) 8.161 11.018 ( 0.000 -4.100 0.000) 4.100 11.028 ( 0.000 -3.892 0.000) 3.892 11.037 ( 0.000 -2.225 0.000) 2.225 11.158 ( 0.000 -2.751 0.000) 2.751 11.167 ( 0.000 2.690 0.000) 2.690 11.281 ( 0.000 1.289 0.000) 1.289 11.437 ( 0.000 1.989 0.000) 1.989 11.470 ( 0.000 1.454 0.000) 1.454 11.496 ( 0.000 0.912 0.000) 0.912 11.687 ( 0.000 9.973 0.000) 9.973 11.710 ( 0.000 -1.685 0.000) 1.685 11.792 ( 0.000 12.888 0.000) 12.888 11.866 ( 0.000 4.093 0.000) 4.093 11.897 ( 0.000 0.643 0.000) 0.643 12.031 ( 0.000 1.839 0.000) 1.839 12.078 ( 0.000 8.019 0.000) 8.019 12.130 ( 0.000 3.383 0.000) 3.383 12.279 ( 0.000 1.122 0.000) 1.122 12.345 ( 0.000 14.590 0.000) 14.590 12.445 ( 0.000 1.819 0.000) 1.819 12.565 ( 0.000 2.757 0.000) 2.757 12.657 ( 0.000 3.046 0.000) 3.046 12.862 ( 0.000 -2.134 0.000) 2.134 12.900 ( 0.000 0.503 0.000) 0.503 12.971 ( 0.000 -4.247 0.000) 4.247 13.135 ( 0.000 1.102 0.000) 1.102 13.272 ( 0.000 -4.302 0.000) 4.302 13.325 ( 0.000 -6.717 0.000) 6.717 13.458 ( 0.000 -0.347 0.000) 0.347 13.499 ( 0.000 0.275 0.000) 0.275 13.625 ( 0.000 -2.894 0.000) 2.894 13.676 ( 0.000 1.111 0.000) 1.111 13.726 ( 0.000 2.710 0.000) 2.710 13.976 ( 0.000 -3.138 0.000) 3.138 14.084 ( 0.000 9.315 0.000) 9.315 14.459 ( 0.000 -14.942 0.000) 14.942 14.515 ( 0.000 -8.380 0.000) 8.380 14.580 ( 0.000 -8.430 0.000) 8.430 14.820 ( 0.000 -8.400 0.000) 8.400 14.825 ( 0.000 2.481 0.000) 2.481 14.996 ( 0.000 -4.167 0.000) 4.167 15.056 ( 0.000 -5.825 0.000) 5.825 15.181 ( 0.000 2.191 0.000) 2.191 15.325 ( 0.000 -6.163 0.000) 6.163 15.404 ( 0.000 6.049 0.000) 6.049 15.491 ( 0.000 -2.965 0.000) 2.965 15.603 ( 0.000 -2.154 0.000) 2.154 15.624 ( 0.000 -0.843 0.000) 0.843 15.696 ( 0.000 -6.801 0.000) 6.801 15.815 ( 0.000 -3.005 0.000) 3.005 15.852 ( 0.000 3.032 0.000) 3.032 16.117 ( 0.000 2.355 0.000) 2.355 16.125 ( 0.000 -2.553 0.000) 2.553 16.219 ( 0.000 -3.965 0.000) 3.965 16.304 ( 0.000 1.700 0.000) 1.700 16.839 ( 0.000 3.581 0.000) 3.581 16.917 ( 0.000 1.041 0.000) 1.041 17.024 ( 0.000 9.400 0.000) 9.400 17.097 ( 0.000 8.777 0.000) 8.777 17.994 ( 0.000 0.873 0.000) 0.873 18.102 ( 0.000 4.064 0.000) 4.064 18.605 ( 0.000 9.745 0.000) 9.745 18.654 ( 0.000 6.628 0.000) 6.628 19.038 ( 0.000 -3.729 0.000) 3.729 19.143 ( 0.000 -3.238 0.000) 3.238 19.372 ( 0.000 -0.777 0.000) 0.777 19.378 ( 0.000 -0.108 0.000) 0.108 19.477 ( 0.000 0.284 0.000) 0.284 19.482 ( 0.000 0.820 0.000) 0.820 19.582 ( 0.000 3.061 0.000) 3.061 19.720 ( 0.000 6.554 0.000) 6.554 19.875 ( 0.000 -3.994 0.000) 3.994 20.289 ( 0.000 -6.297 0.000) 6.297 20.854 ( 0.000 -0.448 0.000) 0.448 20.859 ( 0.000 -0.415 0.000) 0.415 21.790 ( 0.000 0.838 0.000) 0.838 21.850 ( 0.000 -0.743 0.000) 0.743 21.904 ( 0.000 -0.087 0.000) 0.087 21.921 ( 0.000 -0.339 0.000) 0.339 22.334 ( 0.000 -0.123 0.000) 0.123 22.335 ( 0.000 -0.089 0.000) 0.089 22.725 ( 0.000 3.838 0.000) 3.838 22.729 ( 0.000 4.417 0.000) 4.417 23.033 ( 0.000 0.722 0.000) 0.722 23.089 ( 0.000 -3.169 0.000) 3.169 23.191 ( 0.000 -5.305 0.000) 5.305 23.223 ( 0.000 -8.259 0.000) 8.259 25.531 ( 0.000 -2.599 0.000) 2.599 25.550 ( 0.000 -0.883 0.000) 0.883 25.743 ( 0.000 7.320 0.000) 7.320 26.136 ( 0.000 -7.394 0.000) 7.394 26.580 ( 0.000 10.668 0.000) 10.668 27.031 ( 0.000 -3.806 0.000) 3.806 27.078 ( 0.000 0.724 0.000) 0.724 27.130 ( 0.000 -0.351 0.000) 0.351 ======================= Grid point 10 (7/30) ======================= q-point: ( 0.11 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-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 2.98e-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 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 46 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.283 ( 36.282 26.931 0.000) 45.185 1.349 ( 33.795 34.620 0.000) 48.381 1.971 ( 43.141 54.296 0.000) 69.348 2.582 ( 5.395 16.491 0.000) 17.351 2.642 ( 3.305 0.147 0.000) 3.308 2.826 ( -2.263 6.342 0.000) 6.734 3.022 ( -1.351 2.350 0.000) 2.710 3.055 ( 6.499 -1.529 0.000) 6.676 3.110 ( 0.058 3.280 0.000) 3.281 3.185 ( -4.597 14.801 0.000) 15.498 3.332 ( 11.835 -13.850 0.000) 18.218 3.506 ( 12.196 0.393 0.000) 12.203 3.548 ( 1.402 -6.875 0.000) 7.016 3.674 ( 10.771 -6.541 0.000) 12.602 3.903 ( 7.926 2.430 0.000) 8.290 3.938 ( 10.603 0.891 0.000) 10.641 4.015 ( 4.614 0.658 0.000) 4.660 4.059 ( 6.621 -2.526 0.000) 7.087 4.151 ( 2.157 0.787 0.000) 2.296 4.209 ( 0.635 2.495 0.000) 2.575 4.271 ( 2.861 4.799 0.000) 5.587 4.340 ( 0.059 -1.752 0.000) 1.753 4.490 ( -2.097 2.346 0.000) 3.147 4.529 ( 4.250 0.246 0.000) 4.257 4.566 ( 3.446 -11.008 0.000) 11.535 4.621 ( -5.674 -3.224 0.000) 6.526 4.752 ( 5.850 -7.632 0.000) 9.616 4.804 ( -1.276 -1.317 0.000) 1.834 4.944 ( 5.143 -0.501 0.000) 5.167 4.981 ( 3.580 -0.974 0.000) 3.710 5.006 ( -3.430 1.022 0.000) 3.579 5.040 ( -1.891 -2.010 0.000) 2.759 5.113 ( 5.574 -0.567 0.000) 5.603 5.148 ( 4.000 -1.173 0.000) 4.169 5.223 ( 1.979 1.181 0.000) 2.305 5.232 ( 4.520 2.042 0.000) 4.960 5.341 ( 3.095 4.058 0.000) 5.103 5.353 ( 5.245 -1.471 0.000) 5.448 5.415 ( 5.398 -0.566 0.000) 5.427 5.526 ( -1.226 2.766 0.000) 3.026 5.605 ( 1.055 2.567 0.000) 2.775 5.639 ( -0.954 -0.937 0.000) 1.337 5.709 ( -3.125 -1.808 0.000) 3.610 5.762 ( -3.140 -1.377 0.000) 3.428 5.816 ( 2.945 -3.010 0.000) 4.211 5.875 ( -2.788 -6.048 0.000) 6.660 5.888 ( -2.828 -1.562 0.000) 3.231 5.942 ( 1.701 -2.104 0.000) 2.706 5.983 ( 0.289 -1.740 0.000) 1.764 6.082 ( -3.240 -4.546 0.000) 5.582 6.129 ( -2.496 -1.275 0.000) 2.803 6.167 ( -0.561 -1.244 0.000) 1.364 6.259 ( 0.267 -3.172 0.000) 3.183 6.322 ( 1.417 0.967 0.000) 1.715 6.329 ( -3.056 6.155 0.000) 6.872 6.348 ( 0.833 -1.637 0.000) 1.837 6.394 ( -1.030 8.739 0.000) 8.799 6.446 ( 3.812 1.220 0.000) 4.003 6.512 ( -2.404 -2.862 0.000) 3.738 6.595 ( -1.122 2.372 0.000) 2.624 6.630 ( -1.077 -2.811 0.000) 3.010 6.708 ( -1.517 2.648 0.000) 3.052 6.806 ( 5.092 3.889 0.000) 6.407 6.837 ( 0.780 0.654 0.000) 1.018 7.015 ( 1.467 5.352 0.000) 5.549 7.040 ( 2.194 -6.207 0.000) 6.584 7.089 ( -0.925 -2.064 0.000) 2.262 7.188 ( -0.085 -1.739 0.000) 1.741 7.248 ( -8.184 -0.887 0.000) 8.232 7.340 ( -1.101 -1.958 0.000) 2.246 7.419 ( -0.491 1.373 0.000) 1.458 7.486 ( -3.576 -4.621 0.000) 5.843 7.520 ( -4.380 -2.854 0.000) 5.228 7.609 ( -0.958 4.569 0.000) 4.669 7.639 ( -5.129 -1.837 0.000) 5.449 7.689 ( -6.169 -1.066 0.000) 6.261 7.801 ( -1.255 -2.924 0.000) 3.182 7.846 ( -2.074 -0.284 0.000) 2.094 7.891 ( -0.139 4.138 0.000) 4.141 7.972 ( -4.844 1.635 0.000) 5.112 8.026 ( 2.395 2.802 0.000) 3.686 8.059 ( -2.803 0.161 0.000) 2.808 8.093 ( -0.088 1.436 0.000) 1.439 8.198 ( -0.879 0.210 0.000) 0.903 8.260 ( -4.398 1.139 0.000) 4.543 8.343 ( -3.438 -2.877 0.000) 4.483 8.389 ( -2.000 -1.774 0.000) 2.674 8.438 ( -3.826 0.213 0.000) 3.832 8.522 ( -0.835 -1.053 0.000) 1.344 8.532 ( 4.434 -1.285 0.000) 4.616 8.562 ( 1.888 1.026 0.000) 2.148 8.640 ( -1.710 -5.135 0.000) 5.412 8.731 ( 3.336 1.418 0.000) 3.625 8.818 ( -0.098 2.746 0.000) 2.748 8.877 ( -2.786 -4.025 0.000) 4.895 8.898 ( 1.042 -2.408 0.000) 2.624 8.980 ( -2.125 0.228 0.000) 2.137 9.105 ( 2.790 4.349 0.000) 5.167 9.124 ( -5.005 3.229 0.000) 5.956 9.208 ( 3.288 0.704 0.000) 3.363 9.267 ( -0.657 -2.637 0.000) 2.718 9.341 ( 2.468 5.243 0.000) 5.795 9.392 ( 7.868 0.018 0.000) 7.868 9.506 ( 7.620 -4.188 0.000) 8.695 9.532 ( 4.063 2.357 0.000) 4.698 9.586 ( 4.665 -1.828 0.000) 5.010 9.701 ( 0.162 -6.516 0.000) 6.518 9.774 ( 5.798 0.257 0.000) 5.804 9.828 ( 0.166 1.112 0.000) 1.124 9.921 ( -2.790 4.600 0.000) 5.380 9.963 ( 0.714 3.647 0.000) 3.716 10.160 ( -0.929 2.177 0.000) 2.367 10.233 ( -0.427 -0.182 0.000) 0.465 10.356 ( -0.911 -4.784 0.000) 4.870 10.385 ( -4.281 2.618 0.000) 5.018 10.440 ( -1.802 -2.462 0.000) 3.051 10.537 ( -5.696 9.037 0.000) 10.682 10.613 ( -3.425 -5.100 0.000) 6.143 10.712 ( -3.437 -1.919 0.000) 3.936 10.728 ( -7.408 -8.937 0.000) 11.608 10.877 ( -4.911 -3.968 0.000) 6.314 10.909 ( 0.628 -2.782 0.000) 2.852 11.023 ( 1.920 -3.734 0.000) 4.199 11.055 ( -4.503 -3.291 0.000) 5.578 11.215 ( 2.717 -1.336 0.000) 3.028 11.231 ( 0.999 -2.277 0.000) 2.487 11.254 ( -1.155 -1.965 0.000) 2.280 11.387 ( 0.626 -4.629 0.000) 4.671 11.444 ( -2.987 1.381 0.000) 3.290 11.559 ( -1.216 2.417 0.000) 2.706 11.662 ( 1.300 1.307 0.000) 1.843 11.678 ( 2.538 12.289 0.000) 12.548 11.733 ( 0.748 -3.549 0.000) 3.627 11.856 ( 0.182 7.942 0.000) 7.944 11.917 ( -8.786 5.348 0.000) 10.286 11.929 ( -3.103 7.341 0.000) 7.970 12.035 ( -11.070 5.218 0.000) 12.239 12.130 ( -3.521 5.772 0.000) 6.761 12.180 ( 1.397 7.059 0.000) 7.196 12.389 ( -0.882 4.784 0.000) 4.864 12.463 ( -3.889 2.896 0.000) 4.849 12.525 ( -3.401 6.104 0.000) 6.987 12.635 ( 7.776 -5.586 0.000) 9.574 12.814 ( 0.128 0.847 0.000) 0.856 12.894 ( -1.112 1.392 0.000) 1.781 13.108 ( -3.225 -0.762 0.000) 3.313 13.196 ( -1.804 0.553 0.000) 1.886 13.211 ( 0.340 -3.322 0.000) 3.340 13.424 ( -0.883 -3.182 0.000) 3.302 13.430 ( -1.975 -4.484 0.000) 4.900 13.606 ( -0.838 3.566 0.000) 3.664 13.633 ( 0.941 -5.507 0.000) 5.586 13.724 ( 2.567 -3.332 0.000) 4.206 13.783 ( 5.927 -6.003 0.000) 8.436 13.868 ( -4.867 -7.849 0.000) 9.236 14.062 ( -4.262 9.434 0.000) 10.352 14.364 ( -6.356 -8.731 0.000) 10.799 14.397 ( -6.108 -6.970 0.000) 9.268 14.588 ( -2.743 -2.931 0.000) 4.014 14.684 ( -8.430 -8.324 0.000) 11.847 14.745 ( -11.871 0.800 0.000) 11.898 14.977 ( -1.166 -11.305 0.000) 11.365 15.002 ( -6.153 -5.988 0.000) 8.586 15.155 ( -4.418 -5.634 0.000) 7.160 15.331 ( 3.407 -5.804 0.000) 6.730 15.396 ( 2.095 -1.771 0.000) 2.743 15.529 ( 3.309 -2.089 0.000) 3.913 15.613 ( 1.188 0.086 0.000) 1.191 15.682 ( 4.238 1.413 0.000) 4.467 15.705 ( 3.786 -0.699 0.000) 3.850 15.790 ( -0.624 4.561 0.000) 4.603 15.907 ( 6.692 0.203 0.000) 6.695 16.112 ( 2.976 -1.684 0.000) 3.420 16.297 ( 13.008 -0.869 0.000) 13.037 16.393 ( 13.214 -2.832 0.000) 13.514 16.530 ( 15.780 -1.435 0.000) 15.845 16.783 ( -4.865 3.061 0.000) 5.748 16.860 ( -3.247 2.416 0.000) 4.047 17.024 ( -3.936 6.392 0.000) 7.507 17.116 ( 4.064 4.475 0.000) 6.045 17.976 ( -2.281 1.964 0.000) 3.011 18.070 ( -3.675 5.614 0.000) 6.710 18.272 ( -35.367 35.371 0.000) 50.020 18.565 ( -4.872 7.037 0.000) 8.559 18.662 ( -1.543 8.651 0.000) 8.788 19.111 ( -4.181 -2.585 0.000) 4.915 19.277 ( -10.307 -0.009 0.000) 10.307 19.325 ( -10.176 0.080 0.000) 10.176 19.418 ( -0.471 1.750 0.000) 1.812 19.495 ( 1.293 0.560 0.000) 1.409 19.545 ( 2.243 -0.142 0.000) 2.248 19.738 ( -2.595 -1.474 0.000) 2.985 19.939 ( 10.634 1.273 0.000) 10.710 20.198 ( -0.635 7.985 0.000) 8.010 20.664 ( -16.953 -1.755 0.000) 17.044 21.072 ( -0.951 -19.058 0.000) 19.082 21.798 ( 1.084 0.652 0.000) 1.265 21.879 ( 2.071 -2.054 0.000) 2.917 21.985 ( 5.704 0.088 0.000) 5.705 22.011 ( 6.094 -0.345 0.000) 6.104 22.353 ( 1.969 0.014 0.000) 1.969 22.362 ( 2.466 0.063 0.000) 2.466 22.747 ( 4.262 0.679 0.000) 4.316 22.873 ( 7.350 1.963 0.000) 7.607 22.963 ( -4.023 -3.529 0.000) 5.351 23.068 ( 1.123 0.624 0.000) 1.285 23.334 ( 9.846 -6.083 0.000) 11.573 23.553 ( 18.585 -22.115 0.000) 28.888 25.557 ( 2.355 -2.133 0.000) 3.177 25.583 ( 2.944 -1.920 0.000) 3.515 25.768 ( 1.962 3.726 0.000) 4.211 26.080 ( -5.123 -3.617 0.000) 6.271 26.571 ( -0.892 10.320 0.000) 10.358 26.778 ( -13.377 15.058 0.000) 20.142 27.055 ( -2.785 -4.404 0.000) 5.210 27.098 ( -3.389 -1.185 0.000) 3.591 ======================= Grid point 11 (8/30) ======================= q-point: ( 0.22 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-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 2.98e-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 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 46 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.939 ( 29.913 25.719 0.000) 39.449 2.013 ( 35.646 15.701 0.000) 38.951 2.669 ( 2.683 3.234 0.000) 4.202 2.725 ( 5.094 5.672 0.000) 7.623 2.759 ( 14.611 10.835 0.000) 18.190 2.944 ( 18.429 19.108 0.000) 26.547 3.078 ( 6.272 6.098 0.000) 8.748 3.103 ( 1.282 10.295 0.000) 10.374 3.173 ( 12.067 8.077 0.000) 14.521 3.310 ( 26.439 12.719 0.000) 29.340 3.523 ( 5.643 -10.056 0.000) 11.532 3.586 ( 3.618 -10.147 0.000) 10.773 3.753 ( 7.044 -10.150 0.000) 12.355 3.861 ( 8.564 -7.376 0.000) 11.302 3.960 ( 0.884 2.890 0.000) 3.022 4.033 ( 5.259 -3.319 0.000) 6.219 4.103 ( -2.509 -1.442 0.000) 2.894 4.200 ( 0.525 -3.158 0.000) 3.201 4.204 ( 6.807 -7.391 0.000) 10.048 4.229 ( -2.134 1.447 0.000) 2.578 4.348 ( 3.034 0.386 0.000) 3.058 4.460 ( 8.375 -1.288 0.000) 8.473 4.497 ( 5.379 -2.840 0.000) 6.083 4.602 ( 10.899 -3.760 0.000) 11.529 4.651 ( 3.195 -5.465 0.000) 6.330 4.665 ( 3.381 0.675 0.000) 3.448 4.750 ( 1.773 0.903 0.000) 1.990 4.805 ( -2.316 -7.524 0.000) 7.872 4.950 ( -1.921 0.931 0.000) 2.135 5.019 ( 3.623 2.333 0.000) 4.309 5.047 ( 1.881 -0.250 0.000) 1.897 5.094 ( 3.717 0.537 0.000) 3.756 5.185 ( 1.848 1.298 0.000) 2.258 5.212 ( 2.282 -0.888 0.000) 2.448 5.290 ( 4.753 3.977 0.000) 6.198 5.333 ( 2.735 3.890 0.000) 4.755 5.406 ( -0.430 -0.329 0.000) 0.541 5.460 ( 7.449 -0.681 0.000) 7.480 5.507 ( -8.793 -1.231 0.000) 8.878 5.516 ( 6.105 1.340 0.000) 6.251 5.568 ( 3.032 -2.847 0.000) 4.159 5.601 ( 3.183 -1.860 0.000) 3.686 5.733 ( -0.983 -2.335 0.000) 2.534 5.755 ( -7.176 -1.230 0.000) 7.281 5.769 ( 7.137 3.466 0.000) 7.934 5.860 ( 4.494 -2.950 0.000) 5.376 5.874 ( -2.128 -1.335 0.000) 2.512 5.952 ( 0.435 -3.206 0.000) 3.236 6.005 ( -0.450 -0.501 0.000) 0.673 6.045 ( 3.957 1.179 0.000) 4.129 6.133 ( 4.339 2.925 0.000) 5.233 6.163 ( -1.793 4.691 0.000) 5.022 6.233 ( 0.376 -4.317 0.000) 4.334 6.265 ( -1.639 -3.550 0.000) 3.910 6.315 ( -3.934 -0.318 0.000) 3.947 6.395 ( 2.678 6.158 0.000) 6.715 6.422 ( 3.013 4.201 0.000) 5.170 6.515 ( 5.341 1.157 0.000) 5.465 6.535 ( 1.587 2.380 0.000) 2.861 6.577 ( -2.072 -2.215 0.000) 3.033 6.612 ( 2.904 3.543 0.000) 4.581 6.698 ( 1.166 2.093 0.000) 2.395 6.899 ( 4.991 4.979 0.000) 7.050 6.928 ( 1.156 -2.005 0.000) 2.315 6.994 ( -2.423 -1.982 0.000) 3.131 7.044 ( -5.106 1.644 0.000) 5.364 7.061 ( 0.655 1.163 0.000) 1.335 7.122 ( -2.696 1.120 0.000) 2.920 7.159 ( -5.474 -3.284 0.000) 6.383 7.298 ( -5.329 3.041 0.000) 6.136 7.345 ( -1.163 -3.247 0.000) 3.449 7.383 ( -4.327 -3.292 0.000) 5.437 7.450 ( -0.741 1.073 0.000) 1.304 7.569 ( 0.407 -1.610 0.000) 1.661 7.651 ( 1.729 1.760 0.000) 2.467 7.669 ( 1.118 -4.433 0.000) 4.572 7.744 ( 1.097 -4.106 0.000) 4.250 7.774 ( -6.861 -0.682 0.000) 6.895 7.900 ( -1.213 4.979 0.000) 5.124 7.948 ( -3.095 -0.397 0.000) 3.120 7.989 ( 0.576 2.510 0.000) 2.575 8.058 ( -1.914 1.409 0.000) 2.377 8.111 ( -3.509 -2.852 0.000) 4.522 8.154 ( 2.548 3.924 0.000) 4.678 8.181 ( -3.153 -1.996 0.000) 3.732 8.315 ( 1.805 -2.783 0.000) 3.317 8.346 ( -1.509 -1.951 0.000) 2.466 8.411 ( -1.063 -1.299 0.000) 1.678 8.458 ( -2.496 0.868 0.000) 2.642 8.535 ( 1.542 3.543 0.000) 3.864 8.632 ( 0.900 -11.067 0.000) 11.103 8.692 ( 3.309 -2.339 0.000) 4.052 8.741 ( 2.434 3.080 0.000) 3.926 8.846 ( -5.485 2.811 0.000) 6.163 8.878 ( -1.201 0.531 0.000) 1.313 8.893 ( 6.288 3.669 0.000) 7.280 8.912 ( -1.668 1.193 0.000) 2.051 9.012 ( -2.180 0.940 0.000) 2.374 9.180 ( 2.974 4.582 0.000) 5.463 9.231 ( -2.901 3.289 0.000) 4.386 9.248 ( 2.394 0.536 0.000) 2.453 9.405 ( 2.262 1.475 0.000) 2.700 9.489 ( -0.918 -0.487 0.000) 1.039 9.509 ( -3.413 5.792 0.000) 6.723 9.637 ( 4.300 -3.189 0.000) 5.354 9.723 ( 2.960 1.984 0.000) 3.564 9.752 ( 4.638 -7.852 0.000) 9.119 9.789 ( 2.184 4.262 0.000) 4.789 9.862 ( 2.335 0.874 0.000) 2.493 9.931 ( -0.920 -0.388 0.000) 0.998 10.002 ( 3.206 -0.548 0.000) 3.253 10.033 ( -8.392 1.307 0.000) 8.493 10.154 ( -2.464 -0.117 0.000) 2.466 10.310 ( -3.625 -6.034 0.000) 7.039 10.345 ( 0.043 4.039 0.000) 4.039 10.404 ( -0.777 -5.971 0.000) 6.021 10.467 ( 2.677 -2.150 0.000) 3.434 10.541 ( -2.355 2.302 0.000) 3.293 10.665 ( -2.282 -0.223 0.000) 2.293 10.727 ( 1.920 -5.977 0.000) 6.278 10.813 ( -0.910 -4.331 0.000) 4.425 10.919 ( -0.546 -1.175 0.000) 1.296 10.956 ( -4.226 -3.684 0.000) 5.606 11.020 ( -3.974 -4.552 0.000) 6.042 11.185 ( -2.334 -5.015 0.000) 5.532 11.218 ( -2.724 -0.966 0.000) 2.890 11.264 ( -2.967 1.314 0.000) 3.245 11.388 ( -1.232 -4.428 0.000) 4.596 11.420 ( -2.642 -11.016 0.000) 11.328 11.476 ( -6.878 2.396 0.000) 7.283 11.614 ( -3.563 7.139 0.000) 7.979 11.674 ( -7.569 -3.004 0.000) 8.143 11.715 ( -4.880 5.256 0.000) 7.172 11.780 ( -3.851 1.579 0.000) 4.162 11.802 ( -7.183 8.838 0.000) 11.389 11.819 ( -4.528 -0.047 0.000) 4.528 11.914 ( -4.771 10.959 0.000) 11.953 12.024 ( -6.673 0.171 0.000) 6.675 12.184 ( -3.092 5.909 0.000) 6.669 12.239 ( -4.315 4.656 0.000) 6.348 12.380 ( -8.771 0.648 0.000) 8.794 12.489 ( -2.003 7.092 0.000) 7.370 12.698 ( -4.256 -1.773 0.000) 4.610 12.853 ( 2.679 -2.119 0.000) 3.416 12.898 ( 3.163 3.266 0.000) 4.546 13.003 ( -5.257 -1.322 0.000) 5.421 13.073 ( -13.975 -1.388 0.000) 14.044 13.196 ( -2.766 1.962 0.000) 3.391 13.246 ( -8.957 2.340 0.000) 9.258 13.348 ( -10.227 -3.683 0.000) 10.870 13.531 ( -2.200 3.411 0.000) 4.059 13.588 ( -6.379 -4.649 0.000) 7.893 13.682 ( -5.286 -3.009 0.000) 6.082 13.852 ( -0.856 -8.412 0.000) 8.455 13.887 ( 4.357 -3.498 0.000) 5.588 13.945 ( -1.464 5.058 0.000) 5.265 14.250 ( -8.220 1.562 0.000) 8.367 14.328 ( -0.190 -0.123 0.000) 0.226 14.489 ( -3.880 0.566 0.000) 3.921 14.568 ( -3.479 -4.094 0.000) 5.373 14.624 ( 0.683 -4.513 0.000) 4.564 14.796 ( -7.346 -4.825 0.000) 8.789 14.974 ( 0.170 -14.415 0.000) 14.416 15.191 ( 4.961 -10.675 0.000) 11.771 15.367 ( 0.079 1.230 0.000) 1.232 15.500 ( 7.521 -5.371 0.000) 9.242 15.600 ( 3.487 -0.786 0.000) 3.575 15.628 ( 0.378 3.698 0.000) 3.718 15.745 ( 4.177 0.445 0.000) 4.201 15.814 ( 6.471 2.245 0.000) 6.849 15.903 ( 9.349 7.329 0.000) 11.879 16.033 ( 5.751 -2.318 0.000) 6.201 16.204 ( 5.200 0.683 0.000) 5.245 16.489 ( 5.374 3.387 0.000) 6.352 16.591 ( 5.800 -5.064 0.000) 7.700 16.678 ( -3.270 0.028 0.000) 3.270 16.811 ( 9.139 -2.185 0.000) 9.396 16.841 ( 2.371 3.977 0.000) 4.630 16.946 ( -1.504 0.134 0.000) 1.510 17.187 ( 2.748 -0.536 0.000) 2.800 17.801 ( -11.492 23.320 0.000) 25.997 17.970 ( -2.341 3.248 0.000) 4.004 17.997 ( -6.011 6.056 0.000) 8.532 18.434 ( -8.154 2.993 0.000) 8.686 18.656 ( -0.101 6.429 0.000) 6.430 18.977 ( -10.147 -1.306 0.000) 10.231 19.044 ( -12.478 0.031 0.000) 12.478 19.106 ( -9.600 -0.300 0.000) 9.605 19.420 ( -0.786 1.492 0.000) 1.687 19.474 ( -2.380 0.071 0.000) 2.381 19.661 ( 7.670 0.011 0.000) 7.670 19.718 ( -0.508 1.931 0.000) 1.997 20.103 ( 6.529 -0.022 0.000) 6.529 20.209 ( -0.407 1.847 0.000) 1.891 20.316 ( -15.532 -0.649 0.000) 15.546 20.932 ( -10.616 -12.461 0.000) 16.370 21.832 ( 2.346 0.910 0.000) 2.516 21.920 ( 1.933 -0.715 0.000) 2.061 22.060 ( 3.001 0.813 0.000) 3.109 22.124 ( 4.502 -0.610 0.000) 4.543 22.397 ( 2.281 0.601 0.000) 2.359 22.416 ( 2.694 0.127 0.000) 2.697 22.843 ( 5.064 -2.053 0.000) 5.464 22.923 ( -0.004 -4.493 0.000) 4.493 23.011 ( 7.030 4.386 0.000) 8.286 23.120 ( 3.636 2.736 0.000) 4.550 23.524 ( 9.489 -5.737 0.000) 11.088 23.772 ( 6.203 -15.266 0.000) 16.478 25.613 ( 3.280 -1.163 0.000) 3.480 25.647 ( 3.534 -1.140 0.000) 3.713 25.799 ( 1.211 0.679 0.000) 1.389 25.973 ( -5.424 0.148 0.000) 5.426 26.546 ( -1.538 9.171 0.000) 9.299 26.628 ( -3.691 9.246 0.000) 9.956 26.983 ( -4.487 -4.067 0.000) 6.055 27.010 ( -5.486 -2.256 0.000) 5.932 ======================= Grid point 12 (9/30) ======================= q-point: ( 0.33 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-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 2.98e-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 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 46 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.415 ( 16.280 12.301 0.000) 20.405 2.595 ( 17.499 5.182 0.000) 18.250 2.718 ( 10.637 7.060 0.000) 12.767 2.831 ( 6.866 3.327 0.000) 7.630 2.910 ( 7.489 3.286 0.000) 8.179 3.080 ( 5.083 9.130 0.000) 10.449 3.226 ( 9.158 3.147 0.000) 9.684 3.286 ( 5.353 0.310 0.000) 5.362 3.424 ( 16.604 8.375 0.000) 18.597 3.600 ( 8.043 -2.528 0.000) 8.431 3.651 ( 2.912 -5.713 0.000) 6.413 3.762 ( -1.712 -6.702 0.000) 6.917 3.872 ( -6.086 -2.165 0.000) 6.460 3.889 ( -1.184 -4.476 0.000) 4.630 3.970 ( 13.497 5.961 0.000) 14.754 4.131 ( 2.900 -3.841 0.000) 4.813 4.139 ( -1.329 3.174 0.000) 3.440 4.152 ( -1.683 -4.098 0.000) 4.430 4.226 ( 1.597 -0.744 0.000) 1.762 4.370 ( 1.685 -1.157 0.000) 2.044 4.410 ( 12.721 -7.442 0.000) 14.738 4.538 ( 4.403 -6.191 0.000) 7.597 4.598 ( 6.795 -0.437 0.000) 6.809 4.649 ( -0.276 -1.959 0.000) 1.979 4.728 ( -1.008 -2.849 0.000) 3.022 4.774 ( 9.947 -5.275 0.000) 11.260 4.808 ( 3.684 -3.235 0.000) 4.903 4.870 ( 6.056 -0.775 0.000) 6.105 4.966 ( 1.623 -0.323 0.000) 1.655 5.004 ( -5.908 -0.134 0.000) 5.910 5.087 ( 2.081 0.232 0.000) 2.094 5.129 ( 2.302 -1.589 0.000) 2.797 5.171 ( 1.116 0.284 0.000) 1.151 5.257 ( -4.968 4.326 0.000) 6.588 5.278 ( -8.431 1.250 0.000) 8.523 5.332 ( 2.031 6.497 0.000) 6.807 5.376 ( 3.336 -1.926 0.000) 3.853 5.443 ( 3.674 0.941 0.000) 3.793 5.496 ( -5.167 -1.201 0.000) 5.305 5.545 ( 0.908 -3.111 0.000) 3.240 5.643 ( -4.699 0.023 0.000) 4.699 5.672 ( 7.292 8.040 0.000) 10.854 5.689 ( -2.053 -2.755 0.000) 3.436 5.792 ( 5.941 3.614 0.000) 6.953 5.834 ( 1.830 0.095 0.000) 1.832 5.884 ( 3.976 -0.108 0.000) 3.977 5.994 ( 2.124 0.216 0.000) 2.135 6.012 ( 7.619 -4.288 0.000) 8.743 6.064 ( 1.872 1.862 0.000) 2.640 6.090 ( 0.472 3.745 0.000) 3.775 6.163 ( 0.200 2.857 0.000) 2.865 6.201 ( 2.364 -2.387 0.000) 3.360 6.255 ( 6.196 5.080 0.000) 8.012 6.285 ( 4.105 -1.789 0.000) 4.478 6.341 ( 6.048 -2.175 0.000) 6.427 6.410 ( -3.143 5.141 0.000) 6.025 6.431 ( 0.428 5.012 0.000) 5.031 6.523 ( -2.521 -1.689 0.000) 3.034 6.588 ( 2.512 4.495 0.000) 5.150 6.634 ( 4.667 -0.382 0.000) 4.682 6.673 ( -0.001 2.995 0.000) 2.995 6.755 ( 3.139 -1.871 0.000) 3.654 6.825 ( -0.660 0.974 0.000) 1.177 6.893 ( -5.521 0.938 0.000) 5.600 6.959 ( -2.673 4.528 0.000) 5.258 7.016 ( -0.732 0.134 0.000) 0.745 7.049 ( -2.108 1.798 0.000) 2.771 7.099 ( 3.204 2.337 0.000) 3.965 7.142 ( 4.525 1.986 0.000) 4.942 7.245 ( -4.033 1.091 0.000) 4.177 7.305 ( -1.331 -1.340 0.000) 1.888 7.351 ( 2.857 2.552 0.000) 3.831 7.494 ( -3.043 -4.775 0.000) 5.663 7.549 ( -3.419 1.374 0.000) 3.685 7.619 ( -3.599 -5.497 0.000) 6.570 7.658 ( 0.575 3.952 0.000) 3.993 7.678 ( -1.270 -1.728 0.000) 2.145 7.770 ( -3.783 -1.617 0.000) 4.114 7.856 ( 4.512 5.785 0.000) 7.337 7.925 ( -4.134 3.608 0.000) 5.487 7.971 ( 4.328 -3.385 0.000) 5.495 8.044 ( -5.838 -3.905 0.000) 7.024 8.107 ( -3.259 -3.390 0.000) 4.702 8.116 ( 4.440 0.538 0.000) 4.472 8.207 ( 2.512 2.172 0.000) 3.321 8.271 ( -0.421 -0.418 0.000) 0.594 8.311 ( -1.750 0.443 0.000) 1.805 8.503 ( 6.224 -4.676 0.000) 7.785 8.533 ( 6.275 -2.697 0.000) 6.830 8.570 ( 1.923 -1.023 0.000) 2.179 8.671 ( -3.616 0.246 0.000) 3.624 8.707 ( -3.780 5.634 0.000) 6.784 8.767 ( 6.583 -1.901 0.000) 6.852 8.799 ( 3.363 1.174 0.000) 3.562 8.846 ( 4.295 1.465 0.000) 4.538 8.917 ( 0.858 0.198 0.000) 0.881 8.996 ( 3.940 -1.038 0.000) 4.074 9.063 ( -0.390 0.058 0.000) 0.394 9.154 ( -0.325 6.129 0.000) 6.138 9.262 ( 4.032 1.985 0.000) 4.494 9.297 ( 0.537 -0.255 0.000) 0.594 9.431 ( 6.499 1.881 0.000) 6.766 9.448 ( -0.803 4.001 0.000) 4.081 9.493 ( 2.985 1.426 0.000) 3.308 9.619 ( -6.573 -1.693 0.000) 6.788 9.688 ( -3.354 5.745 0.000) 6.652 9.753 ( 4.133 0.343 0.000) 4.148 9.877 ( 6.388 0.821 0.000) 6.441 9.897 ( 5.851 -2.200 0.000) 6.251 9.937 ( 0.590 -9.175 0.000) 9.193 10.020 ( -0.855 1.717 0.000) 1.918 10.134 ( -0.065 3.352 0.000) 3.353 10.153 ( 5.251 -3.771 0.000) 6.464 10.259 ( -1.989 -2.864 0.000) 3.487 10.366 ( -2.583 -5.152 0.000) 5.763 10.405 ( 3.379 -3.047 0.000) 4.549 10.498 ( -1.150 2.708 0.000) 2.942 10.540 ( 3.014 -1.653 0.000) 3.438 10.610 ( -4.506 0.009 0.000) 4.506 10.700 ( -4.202 -2.058 0.000) 4.679 10.816 ( -1.180 -8.759 0.000) 8.839 10.852 ( -8.178 -9.009 0.000) 12.167 10.890 ( -3.037 -3.332 0.000) 4.508 10.956 ( -0.178 -1.818 0.000) 1.827 11.027 ( -10.011 -2.226 0.000) 10.256 11.112 ( -8.106 -1.521 0.000) 8.248 11.172 ( -6.626 6.371 0.000) 9.192 11.282 ( -10.379 -0.258 0.000) 10.383 11.308 ( -7.686 -6.626 0.000) 10.148 11.331 ( -20.115 -0.539 0.000) 20.122 11.426 ( -1.536 0.926 0.000) 1.793 11.499 ( -9.574 -0.916 0.000) 9.617 11.591 ( -4.592 1.405 0.000) 4.802 11.667 ( -3.793 9.216 0.000) 9.965 11.724 ( -3.840 -4.486 0.000) 5.905 11.782 ( -4.502 -4.780 0.000) 6.566 11.865 ( -0.341 12.215 0.000) 12.219 11.916 ( -0.698 -2.813 0.000) 2.898 12.060 ( -12.657 3.044 0.000) 13.018 12.144 ( -6.857 1.940 0.000) 7.126 12.222 ( -4.597 7.546 0.000) 8.836 12.424 ( -5.065 0.814 0.000) 5.130 12.545 ( -10.855 -1.754 0.000) 10.996 12.754 ( -12.879 -1.606 0.000) 12.979 12.794 ( -6.488 -4.593 0.000) 7.949 12.908 ( -1.224 3.980 0.000) 4.164 13.037 ( -6.109 3.203 0.000) 6.898 13.061 ( -4.061 5.327 0.000) 6.698 13.108 ( 5.303 0.229 0.000) 5.308 13.348 ( 4.729 0.001 0.000) 4.729 13.446 ( -8.171 -6.798 0.000) 10.629 13.520 ( -4.714 -10.026 0.000) 11.079 13.531 ( -0.712 5.696 0.000) 5.740 13.787 ( -5.647 2.890 0.000) 6.344 13.875 ( 1.733 -2.892 0.000) 3.372 14.093 ( -1.455 -2.847 0.000) 3.197 14.162 ( 7.489 5.830 0.000) 9.490 14.358 ( 3.785 1.645 0.000) 4.127 14.445 ( -1.286 1.254 0.000) 1.797 14.553 ( 0.508 -3.302 0.000) 3.341 14.625 ( -1.399 -3.277 0.000) 3.563 14.788 ( 1.690 -2.618 0.000) 3.116 15.016 ( 5.806 -9.641 0.000) 11.255 15.279 ( 3.407 -10.735 0.000) 11.263 15.384 ( 2.361 4.404 0.000) 4.997 15.572 ( -0.860 0.116 0.000) 0.868 15.672 ( 4.443 3.067 0.000) 5.399 15.697 ( 6.214 -3.125 0.000) 6.955 15.818 ( 3.368 1.313 0.000) 3.615 15.943 ( 6.774 0.561 0.000) 6.797 16.071 ( 5.636 3.351 0.000) 6.557 16.120 ( 4.514 -0.892 0.000) 4.602 16.267 ( 0.872 0.855 0.000) 1.221 16.499 ( -4.229 2.400 0.000) 4.862 16.590 ( -1.919 2.702 0.000) 3.314 16.644 ( -1.036 -2.415 0.000) 2.628 16.877 ( 2.681 7.784 0.000) 8.233 16.979 ( 8.481 -3.055 0.000) 9.014 17.002 ( 3.400 -6.346 0.000) 7.200 17.226 ( 1.570 -2.767 0.000) 3.182 17.652 ( -4.773 15.254 0.000) 15.983 17.865 ( -7.622 6.304 0.000) 9.891 17.949 ( 0.198 -0.009 0.000) 0.199 18.267 ( -8.926 -1.097 0.000) 8.993 18.638 ( -2.115 3.598 0.000) 4.173 18.774 ( -9.449 0.385 0.000) 9.457 18.846 ( -6.767 1.074 0.000) 6.851 18.962 ( -6.364 -0.459 0.000) 6.380 19.378 ( -3.022 2.069 0.000) 3.663 19.411 ( -3.837 1.097 0.000) 3.990 19.716 ( 0.821 1.341 0.000) 1.572 19.803 ( 5.248 -1.398 0.000) 5.431 20.028 ( -8.317 0.904 0.000) 8.366 20.168 ( -0.134 2.692 0.000) 2.695 20.293 ( 4.772 -3.393 0.000) 5.855 20.722 ( -10.563 -8.509 0.000) 13.564 21.882 ( 2.635 1.359 0.000) 2.965 21.947 ( 0.838 0.736 0.000) 1.116 22.113 ( 2.625 0.179 0.000) 2.631 22.177 ( 1.297 -0.668 0.000) 1.458 22.435 ( 1.564 1.049 0.000) 1.884 22.452 ( 1.073 0.662 0.000) 1.260 22.928 ( 3.627 -4.123 0.000) 5.491 22.948 ( 2.002 -5.171 0.000) 5.546 23.133 ( 5.440 5.769 0.000) 7.929 23.189 ( 3.176 4.881 0.000) 5.823 23.686 ( 7.238 -5.500 0.000) 9.091 23.843 ( 1.754 -9.579 0.000) 9.738 25.677 ( 3.246 -0.104 0.000) 3.247 25.713 ( 3.217 -0.171 0.000) 3.221 25.815 ( 0.415 -0.023 0.000) 0.416 25.882 ( -4.028 0.857 0.000) 4.118 26.524 ( -0.457 6.377 0.000) 6.394 26.588 ( -1.284 5.206 0.000) 5.362 26.894 ( -4.485 -3.402 0.000) 5.629 26.904 ( -4.958 -2.766 0.000) 5.677 ======================= Grid point 13 (10/30) ======================= q-point: ( 0.44 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-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 2.98e-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 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 46 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.567 ( 3.428 8.006 0.000) 8.709 2.623 ( -2.568 4.953 0.000) 5.579 2.974 ( 6.042 -2.776 0.000) 6.649 2.995 ( 4.359 1.478 0.000) 4.602 3.150 ( 9.042 -1.217 0.000) 9.123 3.238 ( 17.148 1.391 0.000) 17.204 3.239 ( -3.412 -4.288 0.000) 5.480 3.416 ( 3.071 -3.223 0.000) 4.451 3.584 ( 2.953 -1.103 0.000) 3.153 3.651 ( -2.538 -4.334 0.000) 5.023 3.754 ( -3.488 -1.282 0.000) 3.716 3.764 ( -1.125 3.436 0.000) 3.615 3.822 ( -3.886 -4.103 0.000) 5.651 3.898 ( -5.138 2.575 0.000) 5.747 3.951 ( 17.625 7.134 0.000) 19.013 4.080 ( -1.926 1.750 0.000) 2.602 4.136 ( 0.587 -6.022 0.000) 6.051 4.225 ( 6.582 -4.661 0.000) 8.065 4.283 ( -2.495 2.845 0.000) 3.784 4.365 ( -3.672 -3.595 0.000) 5.138 4.482 ( 0.593 -1.300 0.000) 1.429 4.562 ( -2.997 -1.860 0.000) 3.527 4.671 ( 4.418 -4.317 0.000) 6.177 4.715 ( 0.660 -2.886 0.000) 2.961 4.778 ( 5.472 -1.980 0.000) 5.819 4.837 ( -1.260 -0.508 0.000) 1.358 4.869 ( -2.371 1.130 0.000) 2.627 4.907 ( -1.583 -2.472 0.000) 2.935 4.954 ( 3.307 -4.842 0.000) 5.863 5.042 ( 0.938 -1.322 0.000) 1.621 5.056 ( -8.357 0.688 0.000) 8.385 5.093 ( -1.682 -2.835 0.000) 3.297 5.171 ( 5.797 -1.594 0.000) 6.012 5.214 ( 3.179 1.421 0.000) 3.482 5.305 ( -1.598 2.857 0.000) 3.273 5.357 ( -3.745 -3.877 0.000) 5.391 5.395 ( 4.513 3.318 0.000) 5.601 5.462 ( -1.020 0.683 0.000) 1.228 5.526 ( 6.728 1.389 0.000) 6.869 5.567 ( -0.297 -0.685 0.000) 0.747 5.611 ( 2.862 -0.996 0.000) 3.030 5.660 ( 2.149 -0.615 0.000) 2.236 5.722 ( 0.743 6.433 0.000) 6.475 5.836 ( 0.099 2.977 0.000) 2.978 5.920 ( 1.746 3.118 0.000) 3.574 5.962 ( -1.919 8.902 0.000) 9.106 5.999 ( -1.692 0.575 0.000) 1.787 6.032 ( 1.804 5.030 0.000) 5.344 6.054 ( -0.224 -0.089 0.000) 0.241 6.082 ( 2.103 0.985 0.000) 2.322 6.194 ( 2.141 1.326 0.000) 2.518 6.260 ( -7.381 0.620 0.000) 7.407 6.312 ( 3.526 5.370 0.000) 6.424 6.363 ( 0.041 0.975 0.000) 0.976 6.388 ( 4.227 4.089 0.000) 5.881 6.424 ( 1.229 0.796 0.000) 1.464 6.461 ( 2.360 4.267 0.000) 4.876 6.487 ( 0.850 0.423 0.000) 0.949 6.573 ( 0.372 -3.089 0.000) 3.111 6.636 ( -5.349 -0.874 0.000) 5.420 6.679 ( 2.377 1.886 0.000) 3.034 6.792 ( -2.007 -3.600 0.000) 4.121 6.827 ( 2.725 2.224 0.000) 3.517 6.906 ( 3.067 -1.748 0.000) 3.530 6.923 ( -1.196 2.595 0.000) 2.857 6.967 ( -6.332 5.787 0.000) 8.578 7.084 ( 2.958 -3.561 0.000) 4.629 7.087 ( 3.752 2.796 0.000) 4.679 7.200 ( -0.855 2.232 0.000) 2.390 7.221 ( -4.403 -1.595 0.000) 4.683 7.333 ( 5.193 1.670 0.000) 5.454 7.365 ( -0.528 2.300 0.000) 2.359 7.437 ( 1.178 -1.898 0.000) 2.234 7.496 ( -1.134 0.473 0.000) 1.229 7.550 ( -3.250 4.724 0.000) 5.734 7.638 ( 1.231 0.478 0.000) 1.321 7.642 ( -7.895 1.896 0.000) 8.119 7.739 ( -2.145 3.744 0.000) 4.315 7.878 ( 5.334 0.061 0.000) 5.335 7.964 ( 2.217 -1.687 0.000) 2.786 8.005 ( 2.582 0.284 0.000) 2.597 8.075 ( -2.842 -2.083 0.000) 3.523 8.089 ( 5.080 -1.541 0.000) 5.308 8.164 ( 1.893 -0.869 0.000) 2.083 8.228 ( 4.294 3.913 0.000) 5.809 8.295 ( 4.723 0.602 0.000) 4.761 8.362 ( 0.514 -4.991 0.000) 5.018 8.441 ( -11.037 0.586 0.000) 11.052 8.548 ( -3.578 4.471 0.000) 5.726 8.593 ( 4.265 -2.343 0.000) 4.866 8.638 ( -7.127 -0.068 0.000) 7.127 8.673 ( -0.217 -3.112 0.000) 3.119 8.792 ( 2.849 6.136 0.000) 6.765 8.880 ( -2.284 1.089 0.000) 2.530 8.916 ( 4.286 1.484 0.000) 4.536 8.981 ( -1.570 0.132 0.000) 1.575 9.030 ( 7.899 1.374 0.000) 8.017 9.117 ( 1.907 -2.912 0.000) 3.480 9.246 ( 10.542 3.535 0.000) 11.119 9.308 ( 0.523 -1.718 0.000) 1.796 9.373 ( 5.656 0.829 0.000) 5.716 9.473 ( -0.611 0.493 0.000) 0.786 9.556 ( 4.212 2.564 0.000) 4.931 9.623 ( 14.393 -2.892 0.000) 14.680 9.687 ( 2.025 -0.889 0.000) 2.212 9.704 ( 8.024 3.977 0.000) 8.955 9.791 ( -2.614 -2.600 0.000) 3.687 9.875 ( -7.066 -3.315 0.000) 7.805 9.946 ( 1.993 -6.475 0.000) 6.775 9.963 ( 1.171 -2.516 0.000) 2.775 10.053 ( -2.927 -2.307 0.000) 3.726 10.103 ( -7.155 -0.503 0.000) 7.173 10.152 ( 9.089 -0.431 0.000) 9.099 10.238 ( 2.990 -0.900 0.000) 3.122 10.323 ( -4.629 1.006 0.000) 4.737 10.389 ( -7.000 -6.115 0.000) 9.295 10.405 ( -2.820 9.577 0.000) 9.983 10.519 ( -9.449 1.033 0.000) 9.506 10.544 ( -2.341 -2.019 0.000) 3.091 10.656 ( 2.453 -0.484 0.000) 2.500 10.675 ( -6.682 -5.002 0.000) 8.347 10.780 ( -3.384 -6.269 0.000) 7.124 10.818 ( -4.475 -9.259 0.000) 10.284 10.904 ( -0.410 -5.139 0.000) 5.155 10.927 ( -7.981 -2.947 0.000) 8.507 10.964 ( -3.651 -3.420 0.000) 5.003 11.032 ( -5.838 -6.488 0.000) 8.728 11.047 ( -3.419 5.272 0.000) 6.283 11.147 ( 7.705 -0.175 0.000) 7.707 11.288 ( -1.573 2.723 0.000) 3.145 11.333 ( -5.912 -0.304 0.000) 5.920 11.396 ( -6.635 1.869 0.000) 6.893 11.465 ( -4.709 2.039 0.000) 5.131 11.571 ( -10.058 -3.403 0.000) 10.618 11.671 ( 0.395 3.099 0.000) 3.124 11.697 ( -1.413 2.716 0.000) 3.061 11.813 ( 4.799 3.211 0.000) 5.774 11.951 ( -1.362 0.270 0.000) 1.389 11.972 ( -2.140 -2.463 0.000) 3.263 12.058 ( 4.158 6.549 0.000) 7.757 12.122 ( -15.392 -1.154 0.000) 15.435 12.173 ( -3.842 6.428 0.000) 7.488 12.508 ( 0.588 -10.978 0.000) 10.994 12.573 ( -6.213 -6.823 0.000) 9.228 12.728 ( 2.320 4.633 0.000) 5.181 12.832 ( -6.268 7.108 0.000) 9.477 13.014 ( 1.115 -3.424 0.000) 3.601 13.024 ( 0.121 2.283 0.000) 2.286 13.211 ( 3.535 4.072 0.000) 5.392 13.283 ( -5.400 -2.291 0.000) 5.866 13.449 ( 3.520 -1.326 0.000) 3.761 13.505 ( -2.180 1.513 0.000) 2.654 13.547 ( 5.721 -4.759 0.000) 7.442 13.673 ( -6.513 0.144 0.000) 6.515 13.924 ( 3.571 -0.614 0.000) 3.623 14.006 ( -4.749 1.092 0.000) 4.873 14.327 ( 6.124 5.642 0.000) 8.326 14.405 ( -2.202 3.889 0.000) 4.469 14.480 ( 6.306 -2.108 0.000) 6.649 14.554 ( -1.373 -4.054 0.000) 4.281 14.623 ( 2.797 -0.715 0.000) 2.887 14.732 ( -6.338 -1.905 0.000) 6.618 15.180 ( 8.838 -6.904 0.000) 11.215 15.295 ( -2.475 -8.958 0.000) 9.293 15.453 ( 4.347 3.122 0.000) 5.352 15.530 ( -3.252 1.307 0.000) 3.504 15.740 ( 2.647 5.317 0.000) 5.939 15.766 ( 0.304 2.120 0.000) 2.141 15.920 ( 7.123 -5.988 0.000) 9.305 16.031 ( -2.013 -5.158 0.000) 5.537 16.101 ( 4.173 -1.297 0.000) 4.370 16.196 ( -2.149 0.556 0.000) 2.219 16.281 ( 4.202 4.988 0.000) 6.522 16.386 ( -6.001 4.047 0.000) 7.238 16.585 ( 0.751 3.481 0.000) 3.561 16.611 ( -1.839 1.473 0.000) 2.356 16.946 ( 3.885 2.141 0.000) 4.436 17.007 ( -1.966 -1.788 0.000) 2.658 17.136 ( 7.085 -3.250 0.000) 7.795 17.231 ( -2.116 -3.452 0.000) 4.049 17.620 ( 1.948 10.422 0.000) 10.602 17.717 ( -7.257 7.248 0.000) 10.257 17.989 ( 4.117 -2.478 0.000) 4.805 18.104 ( -7.662 -3.255 0.000) 8.324 18.597 ( -0.827 1.770 0.000) 1.954 18.634 ( -4.805 1.162 0.000) 4.943 18.799 ( 0.910 1.294 0.000) 1.582 18.855 ( -4.555 0.343 0.000) 4.568 19.334 ( -0.982 2.171 0.000) 2.382 19.348 ( -2.285 1.864 0.000) 2.949 19.744 ( 2.110 0.160 0.000) 2.116 19.800 ( -3.497 -1.631 0.000) 3.859 20.022 ( 5.063 3.079 0.000) 5.926 20.120 ( -4.313 2.680 0.000) 5.078 20.403 ( 6.366 -5.264 0.000) 8.261 20.541 ( -8.231 -6.339 0.000) 10.389 21.926 ( 1.876 1.596 0.000) 2.463 21.950 ( -0.560 1.449 0.000) 1.553 22.158 ( 1.889 -0.367 0.000) 1.924 22.182 ( -0.596 -0.629 0.000) 0.866 22.456 ( 0.697 1.243 0.000) 1.425 22.462 ( 0.060 1.147 0.000) 1.148 22.976 ( 1.316 -5.325 0.000) 5.485 22.979 ( 0.918 -5.612 0.000) 5.687 23.211 ( 2.538 6.438 0.000) 6.920 23.229 ( 0.709 6.214 0.000) 6.254 23.797 ( 4.230 -5.787 0.000) 7.168 23.848 ( -1.165 -6.908 0.000) 7.005 25.734 ( 2.634 0.844 0.000) 2.766 25.760 ( 0.941 0.640 0.000) 1.139 25.813 ( -0.555 0.189 0.000) 0.586 25.823 ( -1.734 0.028 0.000) 1.734 26.533 ( 1.254 4.192 0.000) 4.376 26.563 ( -1.533 3.766 0.000) 4.066 26.828 ( -1.771 -2.893 0.000) 3.392 26.834 ( -2.212 -2.766 0.000) 3.542 ======================= Grid point 18 (11/30) ======================= q-point: ( 0.00 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-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 2.98e-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 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| 1.634 ( 0.000 38.714 0.000) 38.714 1.660 ( 0.000 42.451 0.000) 42.451 2.276 ( 0.000 -28.168 0.000) 28.168 2.410 ( 0.000 -36.738 0.000) 36.738 2.877 ( 0.000 16.602 0.000) 16.602 2.904 ( 0.000 54.128 0.000) 54.128 3.053 ( 0.000 5.259 0.000) 5.259 3.085 ( 0.000 4.421 0.000) 4.421 3.184 ( 0.000 -9.660 0.000) 9.660 3.292 ( 0.000 3.743 0.000) 3.743 3.460 ( 0.000 11.543 0.000) 11.543 3.514 ( 0.000 11.268 0.000) 11.268 3.545 ( 0.000 11.495 0.000) 11.495 3.639 ( 0.000 25.856 0.000) 25.856 3.772 ( 0.000 -10.403 0.000) 10.403 3.790 ( 0.000 -19.281 0.000) 19.281 3.890 ( 0.000 4.508 0.000) 4.508 3.915 ( 0.000 -16.856 0.000) 16.856 3.992 ( 0.000 -2.282 0.000) 2.282 4.267 ( 0.000 -2.504 0.000) 2.504 4.289 ( 0.000 3.953 0.000) 3.953 4.344 ( 0.000 -10.476 0.000) 10.476 4.398 ( 0.000 -0.766 0.000) 0.766 4.403 ( 0.000 -3.166 0.000) 3.166 4.601 ( 0.000 0.591 0.000) 0.591 4.607 ( 0.000 -12.287 0.000) 12.287 4.633 ( 0.000 0.675 0.000) 0.675 4.709 ( 0.000 -12.792 0.000) 12.792 4.757 ( 0.000 -3.108 0.000) 3.108 4.788 ( 0.000 -6.275 0.000) 6.275 4.970 ( 0.000 3.413 0.000) 3.413 5.035 ( 0.000 -3.010 0.000) 3.010 5.057 ( 0.000 -2.827 0.000) 2.827 5.061 ( 0.000 -3.807 0.000) 3.807 5.162 ( 0.000 1.224 0.000) 1.224 5.217 ( 0.000 -2.985 0.000) 2.985 5.322 ( 0.000 10.076 0.000) 10.076 5.409 ( 0.000 1.840 0.000) 1.840 5.456 ( 0.000 8.352 0.000) 8.352 5.532 ( 0.000 -0.080 0.000) 0.080 5.540 ( 0.000 -1.891 0.000) 1.891 5.637 ( 0.000 -10.054 0.000) 10.054 5.775 ( 0.000 0.408 0.000) 0.408 5.786 ( 0.000 1.736 0.000) 1.736 5.823 ( 0.000 1.099 0.000) 1.099 5.837 ( 0.000 -0.447 0.000) 0.447 5.906 ( 0.000 1.673 0.000) 1.673 5.916 ( 0.000 -0.564 0.000) 0.564 5.969 ( 0.000 8.909 0.000) 8.909 6.116 ( 0.000 -2.139 0.000) 2.139 6.137 ( 0.000 0.498 0.000) 0.498 6.142 ( 0.000 5.615 0.000) 5.615 6.221 ( 0.000 -0.521 0.000) 0.521 6.226 ( 0.000 -3.619 0.000) 3.619 6.324 ( 0.000 -11.406 0.000) 11.406 6.339 ( 0.000 -5.944 0.000) 5.944 6.371 ( 0.000 3.477 0.000) 3.477 6.460 ( 0.000 -7.150 0.000) 7.150 6.572 ( 0.000 3.781 0.000) 3.781 6.631 ( 0.000 -0.565 0.000) 0.565 6.642 ( 0.000 11.536 0.000) 11.536 6.766 ( 0.000 -1.740 0.000) 1.740 6.773 ( 0.000 5.016 0.000) 5.016 6.876 ( 0.000 -2.143 0.000) 2.143 6.965 ( 0.000 0.588 0.000) 0.588 6.985 ( 0.000 -1.838 0.000) 1.838 7.092 ( 0.000 -4.196 0.000) 4.196 7.120 ( 0.000 -4.652 0.000) 4.652 7.294 ( 0.000 2.228 0.000) 2.228 7.346 ( 0.000 -1.951 0.000) 1.951 7.405 ( 0.000 1.088 0.000) 1.088 7.457 ( 0.000 -3.075 0.000) 3.075 7.498 ( 0.000 -0.698 0.000) 0.698 7.606 ( 0.000 -8.843 0.000) 8.843 7.696 ( 0.000 3.922 0.000) 3.922 7.750 ( 0.000 -2.798 0.000) 2.798 7.882 ( 0.000 1.621 0.000) 1.621 7.893 ( 0.000 0.703 0.000) 0.703 7.943 ( 0.000 4.043 0.000) 4.043 7.978 ( 0.000 -3.367 0.000) 3.367 7.979 ( 0.000 1.686 0.000) 1.686 8.035 ( 0.000 -3.043 0.000) 3.043 8.230 ( 0.000 -0.044 0.000) 0.044 8.248 ( 0.000 3.489 0.000) 3.489 8.309 ( 0.000 -3.137 0.000) 3.137 8.328 ( 0.000 -5.877 0.000) 5.877 8.371 ( 0.000 3.078 0.000) 3.078 8.395 ( 0.000 -0.280 0.000) 0.280 8.480 ( 0.000 3.441 0.000) 3.441 8.506 ( 0.000 2.401 0.000) 2.401 8.582 ( 0.000 -3.810 0.000) 3.810 8.615 ( 0.000 -4.505 0.000) 4.505 8.710 ( 0.000 7.800 0.000) 7.800 8.790 ( 0.000 0.151 0.000) 0.151 8.870 ( 0.000 -0.289 0.000) 0.289 8.917 ( 0.000 -4.548 0.000) 4.548 9.025 ( 0.000 1.378 0.000) 1.378 9.082 ( 0.000 -4.103 0.000) 4.103 9.142 ( 0.000 3.940 0.000) 3.940 9.237 ( 0.000 -4.816 0.000) 4.816 9.286 ( 0.000 7.799 0.000) 7.799 9.333 ( 0.000 5.541 0.000) 5.541 9.363 ( 0.000 1.010 0.000) 1.010 9.426 ( 0.000 2.509 0.000) 2.509 9.454 ( 0.000 2.607 0.000) 2.607 9.565 ( 0.000 -2.700 0.000) 2.700 9.578 ( 0.000 -6.064 0.000) 6.064 9.689 ( 0.000 -11.515 0.000) 11.515 9.919 ( 0.000 12.991 0.000) 12.991 10.014 ( 0.000 12.283 0.000) 12.283 10.111 ( 0.000 -5.984 0.000) 5.984 10.146 ( 0.000 7.012 0.000) 7.012 10.215 ( 0.000 -0.575 0.000) 0.575 10.250 ( 0.000 -9.104 0.000) 9.104 10.487 ( 0.000 -0.358 0.000) 0.358 10.491 ( 0.000 -2.979 0.000) 2.979 10.510 ( 0.000 -0.032 0.000) 0.032 10.598 ( 0.000 -1.545 0.000) 1.545 10.624 ( 0.000 1.201 0.000) 1.201 10.792 ( 0.000 -3.807 0.000) 3.807 10.887 ( 0.000 1.173 0.000) 1.173 10.923 ( 0.000 -4.453 0.000) 4.453 10.974 ( 0.000 -2.880 0.000) 2.880 10.990 ( 0.000 -2.254 0.000) 2.254 11.132 ( 0.000 -0.877 0.000) 0.877 11.142 ( 0.000 -2.476 0.000) 2.476 11.295 ( 0.000 4.251 0.000) 4.251 11.397 ( 0.000 -4.472 0.000) 4.472 11.566 ( 0.000 5.676 0.000) 5.676 11.585 ( 0.000 3.811 0.000) 3.811 11.690 ( 0.000 1.347 0.000) 1.347 11.694 ( 0.000 -0.122 0.000) 0.122 11.869 ( 0.000 -1.823 0.000) 1.823 11.892 ( 0.000 -2.381 0.000) 2.381 12.066 ( 0.000 0.985 0.000) 0.985 12.070 ( 0.000 1.393 0.000) 1.393 12.227 ( 0.000 6.276 0.000) 6.276 12.241 ( 0.000 4.988 0.000) 4.988 12.460 ( 0.000 21.462 0.000) 21.462 12.493 ( 0.000 6.970 0.000) 6.970 12.602 ( 0.000 -1.207 0.000) 1.207 12.644 ( 0.000 13.165 0.000) 13.165 12.735 ( 0.000 4.582 0.000) 4.582 12.802 ( 0.000 -5.438 0.000) 5.438 12.837 ( 0.000 -8.525 0.000) 8.525 12.865 ( 0.000 -7.760 0.000) 7.760 13.099 ( 0.000 -1.889 0.000) 1.889 13.161 ( 0.000 -6.505 0.000) 6.505 13.284 ( 0.000 2.872 0.000) 2.872 13.389 ( 0.000 -6.595 0.000) 6.595 13.503 ( 0.000 0.438 0.000) 0.438 13.538 ( 0.000 -4.087 0.000) 4.087 13.782 ( 0.000 7.536 0.000) 7.536 13.790 ( 0.000 3.400 0.000) 3.400 13.920 ( 0.000 -0.128 0.000) 0.128 14.111 ( 0.000 -15.020 0.000) 15.020 14.255 ( 0.000 2.907 0.000) 2.907 14.347 ( 0.000 -7.632 0.000) 7.632 14.500 ( 0.000 2.651 0.000) 2.651 14.638 ( 0.000 -9.724 0.000) 9.724 14.919 ( 0.000 1.302 0.000) 1.302 14.955 ( 0.000 -4.161 0.000) 4.161 14.968 ( 0.000 7.754 0.000) 7.754 15.171 ( 0.000 -9.794 0.000) 9.794 15.238 ( 0.000 4.001 0.000) 4.001 15.365 ( 0.000 -10.570 0.000) 10.570 15.459 ( 0.000 0.859 0.000) 0.859 15.504 ( 0.000 -4.743 0.000) 4.743 15.619 ( 0.000 2.763 0.000) 2.763 15.646 ( 0.000 0.071 0.000) 0.071 15.832 ( 0.000 2.358 0.000) 2.358 15.872 ( 0.000 -1.145 0.000) 1.145 16.127 ( 0.000 1.985 0.000) 1.985 16.152 ( 0.000 0.537 0.000) 0.537 16.220 ( 0.000 2.723 0.000) 2.723 16.286 ( 0.000 -3.051 0.000) 3.051 16.899 ( 0.000 2.824 0.000) 2.824 16.931 ( 0.000 -0.280 0.000) 0.280 17.178 ( 0.000 5.561 0.000) 5.561 17.212 ( 0.000 2.259 0.000) 2.259 18.042 ( 0.000 4.062 0.000) 4.062 18.114 ( 0.000 -2.497 0.000) 2.497 18.801 ( 0.000 8.071 0.000) 8.071 18.835 ( 0.000 12.215 0.000) 12.215 18.944 ( 0.000 -5.827 0.000) 5.827 19.039 ( 0.000 -7.989 0.000) 7.989 19.368 ( 0.000 0.396 0.000) 0.396 19.377 ( 0.000 -0.237 0.000) 0.237 19.479 ( 0.000 0.044 0.000) 0.044 19.483 ( 0.000 -0.373 0.000) 0.373 19.664 ( 0.000 5.423 0.000) 5.423 19.775 ( 0.000 -5.972 0.000) 5.972 19.901 ( 0.000 11.579 0.000) 11.579 20.122 ( 0.000 -10.989 0.000) 10.989 20.848 ( 0.000 -0.119 0.000) 0.119 20.851 ( 0.000 -0.412 0.000) 0.412 21.810 ( 0.000 1.173 0.000) 1.173 21.832 ( 0.000 -1.103 0.000) 1.103 21.905 ( 0.000 0.255 0.000) 0.255 21.913 ( 0.000 -0.520 0.000) 0.520 22.333 ( 0.000 -0.014 0.000) 0.014 22.334 ( 0.000 -0.097 0.000) 0.097 22.827 ( 0.000 6.652 0.000) 6.652 22.846 ( 0.000 7.364 0.000) 7.364 22.987 ( 0.000 -6.866 0.000) 6.866 23.039 ( 0.000 -9.289 0.000) 9.289 23.058 ( 0.000 1.019 0.000) 1.019 23.104 ( 0.000 -3.388 0.000) 3.388 25.511 ( 0.000 0.259 0.000) 0.259 25.528 ( 0.000 -1.275 0.000) 1.275 25.878 ( 0.000 6.910 0.000) 6.910 26.004 ( 0.000 -6.694 0.000) 6.694 26.775 ( 0.000 9.580 0.000) 9.580 26.930 ( 0.000 -6.837 0.000) 6.837 27.096 ( 0.000 1.103 0.000) 1.103 27.117 ( 0.000 -0.970 0.000) 0.970 ======================= Grid point 19 (12/30) ======================= q-point: ( 0.11 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-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 2.98e-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 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 46 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.852 ( 19.833 30.709 0.000) 36.556 1.987 ( 28.298 32.400 0.000) 43.018 2.398 ( 10.759 -20.126 0.000) 22.821 2.640 ( 22.145 -30.238 0.000) 37.480 2.918 ( 4.352 16.653 0.000) 17.212 2.960 ( 1.279 21.218 0.000) 21.256 3.065 ( 0.896 11.919 0.000) 11.953 3.100 ( 10.112 20.293 0.000) 22.673 3.180 ( 0.105 -9.601 0.000) 9.602 3.310 ( 0.403 6.102 0.000) 6.115 3.449 ( -1.824 4.096 0.000) 4.484 3.507 ( 2.288 12.318 0.000) 12.529 3.630 ( 2.413 3.355 0.000) 4.133 3.703 ( 4.693 27.871 0.000) 28.264 3.802 ( 1.357 -15.400 0.000) 15.460 3.851 ( 8.282 -10.822 0.000) 13.627 3.904 ( 3.444 -10.792 0.000) 11.328 4.034 ( 12.501 0.249 0.000) 12.503 4.055 ( 3.738 -2.900 0.000) 4.730 4.262 ( -2.240 -2.802 0.000) 3.587 4.308 ( -0.637 2.243 0.000) 2.332 4.392 ( 1.107 -1.318 0.000) 1.721 4.418 ( 6.749 -0.128 0.000) 6.750 4.482 ( 3.827 -12.926 0.000) 13.481 4.557 ( -1.678 1.944 0.000) 2.568 4.583 ( 0.383 2.427 0.000) 2.457 4.614 ( 2.097 -4.499 0.000) 4.963 4.749 ( 6.357 -11.923 0.000) 13.512 4.825 ( 3.107 -4.211 0.000) 5.233 4.879 ( 7.169 -7.978 0.000) 10.725 5.024 ( 2.721 3.730 0.000) 4.617 5.047 ( 3.945 0.810 0.000) 4.027 5.092 ( 5.427 -3.491 0.000) 6.453 5.106 ( -0.386 -5.535 0.000) 5.548 5.156 ( 4.019 2.458 0.000) 4.712 5.239 ( 1.599 -5.043 0.000) 5.291 5.313 ( -0.106 6.823 0.000) 6.824 5.405 ( 0.380 -1.673 0.000) 1.715 5.470 ( 1.315 5.989 0.000) 6.131 5.554 ( -1.520 -2.987 0.000) 3.351 5.588 ( 2.642 -3.125 0.000) 4.093 5.591 ( 0.128 -0.795 0.000) 0.805 5.699 ( -1.244 5.225 0.000) 5.371 5.765 ( -5.071 1.007 0.000) 5.170 5.804 ( -1.052 -2.825 0.000) 3.015 5.825 ( -1.143 -0.381 0.000) 1.205 5.886 ( -3.915 0.003 0.000) 3.915 5.914 ( -0.137 1.957 0.000) 1.962 5.994 ( 2.441 4.219 0.000) 4.875 6.094 ( 3.423 -0.154 0.000) 3.426 6.133 ( -0.744 1.996 0.000) 2.130 6.150 ( -1.286 -0.033 0.000) 1.287 6.209 ( 0.576 -0.365 0.000) 0.682 6.294 ( 2.621 -2.423 0.000) 3.570 6.356 ( 3.580 -4.819 0.000) 6.003 6.409 ( -5.440 3.245 0.000) 6.334 6.416 ( 3.118 -5.280 0.000) 6.132 6.483 ( 2.549 -0.114 0.000) 2.552 6.490 ( 3.027 3.192 0.000) 4.399 6.576 ( -2.055 -0.559 0.000) 2.130 6.668 ( -0.777 4.981 0.000) 5.041 6.732 ( -1.775 -1.623 0.000) 2.406 6.810 ( 2.839 4.179 0.000) 5.052 6.894 ( 2.008 -2.908 0.000) 3.534 6.944 ( 1.337 2.596 0.000) 2.920 7.019 ( 2.519 -2.817 0.000) 3.779 7.096 ( 1.362 1.701 0.000) 2.179 7.187 ( -0.370 -5.843 0.000) 5.855 7.239 ( -2.809 2.327 0.000) 3.647 7.268 ( -1.811 -2.099 0.000) 2.772 7.405 ( -1.888 -1.297 0.000) 2.290 7.436 ( -5.253 -4.212 0.000) 6.733 7.492 ( -0.004 1.897 0.000) 1.897 7.567 ( -4.713 -4.151 0.000) 6.280 7.637 ( -6.383 1.073 0.000) 6.473 7.698 ( -3.270 -3.146 0.000) 4.538 7.743 ( -5.964 3.150 0.000) 6.745 7.864 ( -2.797 -5.962 0.000) 6.586 7.966 ( -0.252 2.884 0.000) 2.895 7.978 ( 2.647 6.508 0.000) 7.025 8.024 ( 1.737 -0.517 0.000) 1.813 8.089 ( 4.491 0.526 0.000) 4.522 8.191 ( -1.689 3.943 0.000) 4.290 8.230 ( -3.895 2.602 0.000) 4.684 8.286 ( -6.086 -2.616 0.000) 6.624 8.295 ( -6.248 1.364 0.000) 6.396 8.315 ( -0.123 -3.845 0.000) 3.847 8.373 ( -0.693 -7.712 0.000) 7.743 8.455 ( -4.189 1.447 0.000) 4.431 8.503 ( -1.669 -2.682 0.000) 3.159 8.560 ( 3.625 3.458 0.000) 5.010 8.631 ( -1.347 -1.011 0.000) 1.684 8.749 ( 3.869 1.038 0.000) 4.005 8.813 ( -1.307 -2.609 0.000) 2.918 8.875 ( -1.315 2.602 0.000) 2.915 8.938 ( -1.427 -1.321 0.000) 1.945 8.964 ( 5.101 3.658 0.000) 6.277 9.095 ( 1.999 -6.460 0.000) 6.762 9.239 ( -0.371 6.310 0.000) 6.321 9.263 ( 5.616 5.792 0.000) 8.068 9.311 ( 1.777 4.420 0.000) 4.764 9.357 ( 4.028 -1.022 0.000) 4.155 9.421 ( 0.489 2.030 0.000) 2.088 9.441 ( 4.757 -4.065 0.000) 6.257 9.485 ( 4.279 -2.756 0.000) 5.090 9.554 ( 1.925 -0.534 0.000) 1.997 9.631 ( 4.346 -1.748 0.000) 4.685 9.738 ( 4.262 -8.167 0.000) 9.212 9.873 ( -2.399 8.871 0.000) 9.189 10.038 ( -4.125 -4.709 0.000) 6.261 10.072 ( -1.981 9.141 0.000) 9.353 10.159 ( -0.264 4.227 0.000) 4.235 10.193 ( -1.258 -0.906 0.000) 1.550 10.304 ( 3.738 1.432 0.000) 4.003 10.396 ( -4.963 -3.085 0.000) 5.844 10.475 ( -4.637 -7.178 0.000) 8.546 10.519 ( -3.964 -5.039 0.000) 6.412 10.597 ( -2.783 -3.973 0.000) 4.850 10.627 ( 0.637 8.398 0.000) 8.422 10.703 ( -5.835 6.882 0.000) 9.023 10.840 ( -2.931 -2.306 0.000) 3.730 10.876 ( 0.965 0.084 0.000) 0.969 10.936 ( 0.201 -7.702 0.000) 7.704 10.978 ( -1.838 -4.634 0.000) 4.985 11.106 ( -3.282 -3.769 0.000) 4.998 11.167 ( -1.504 -5.816 0.000) 6.008 11.235 ( -2.908 4.834 0.000) 5.641 11.330 ( -4.564 -3.675 0.000) 5.860 11.537 ( -5.868 4.887 0.000) 7.636 11.593 ( -4.220 -0.801 0.000) 4.296 11.676 ( 0.101 1.969 0.000) 1.972 11.717 ( 6.166 1.490 0.000) 6.344 11.812 ( -3.295 2.902 0.000) 4.391 11.881 ( -5.932 -2.866 0.000) 6.588 12.021 ( -5.461 3.884 0.000) 6.702 12.054 ( -0.062 1.508 0.000) 1.509 12.184 ( -3.497 5.503 0.000) 6.520 12.236 ( 1.270 0.175 0.000) 1.282 12.329 ( -9.826 13.747 0.000) 16.898 12.484 ( -12.124 -2.982 0.000) 12.486 12.508 ( -1.429 6.370 0.000) 6.528 12.575 ( -0.525 5.246 0.000) 5.272 12.718 ( -1.501 5.244 0.000) 5.454 12.819 ( -0.323 -3.334 0.000) 3.349 12.912 ( 8.694 5.931 0.000) 10.524 13.072 ( 5.554 -4.908 0.000) 7.412 13.125 ( 2.490 -0.243 0.000) 2.501 13.233 ( 1.191 -0.908 0.000) 1.498 13.290 ( 0.867 -6.385 0.000) 6.443 13.347 ( -3.668 -6.443 0.000) 7.414 13.558 ( 0.511 -0.976 0.000) 1.102 13.577 ( 6.834 -3.106 0.000) 7.507 13.713 ( -3.419 0.497 0.000) 3.455 13.757 ( -5.576 -2.934 0.000) 6.301 13.827 ( -4.713 7.950 0.000) 9.242 14.049 ( -6.649 -14.435 0.000) 15.893 14.244 ( 0.443 6.362 0.000) 6.377 14.364 ( 0.667 -4.389 0.000) 4.440 14.526 ( 1.685 1.996 0.000) 2.612 14.598 ( -4.812 -2.117 0.000) 5.258 14.764 ( -9.184 -1.172 0.000) 9.259 14.813 ( -10.202 -5.115 0.000) 11.413 14.895 ( -8.915 -2.000 0.000) 9.136 14.994 ( -14.955 -9.236 0.000) 17.577 15.286 ( 7.778 2.153 0.000) 8.070 15.363 ( 1.176 -3.905 0.000) 4.078 15.500 ( 4.191 0.566 0.000) 4.229 15.558 ( 4.841 -5.268 0.000) 7.155 15.696 ( 4.107 2.044 0.000) 4.588 15.715 ( 4.205 0.531 0.000) 4.239 15.870 ( 4.608 4.002 0.000) 6.103 15.923 ( 7.546 -0.674 0.000) 7.576 16.156 ( 3.517 5.108 0.000) 6.201 16.255 ( 9.540 -4.215 0.000) 10.430 16.391 ( 13.901 3.009 0.000) 14.223 16.472 ( 13.996 -4.570 0.000) 14.723 16.849 ( -5.550 3.014 0.000) 6.315 16.878 ( -4.979 -0.171 0.000) 4.982 17.138 ( -3.977 4.576 0.000) 6.063 17.177 ( -2.009 0.798 0.000) 2.162 18.031 ( -1.250 4.018 0.000) 4.208 18.097 ( -1.830 -2.004 0.000) 2.714 18.648 ( -19.192 8.843 0.000) 21.131 18.693 ( -12.617 4.010 0.000) 13.239 18.850 ( -1.830 9.905 0.000) 10.073 19.021 ( -3.224 -7.309 0.000) 7.988 19.286 ( -9.904 1.358 0.000) 9.997 19.315 ( -9.032 -1.150 0.000) 9.105 19.465 ( -3.125 2.695 0.000) 4.127 19.502 ( -2.371 -0.642 0.000) 2.457 19.565 ( 3.451 3.052 0.000) 4.607 19.657 ( 2.022 -5.719 0.000) 6.065 20.075 ( 8.001 11.060 0.000) 13.651 20.251 ( 3.373 -4.322 0.000) 5.482 20.647 ( -16.315 1.537 0.000) 16.388 20.764 ( -6.718 -11.485 0.000) 13.305 21.818 ( 1.218 1.356 0.000) 1.823 21.846 ( 1.758 -1.569 0.000) 2.356 21.989 ( 6.432 0.402 0.000) 6.445 22.000 ( 6.313 -0.666 0.000) 6.348 22.356 ( 2.281 0.224 0.000) 2.292 22.360 ( 2.489 -0.205 0.000) 2.498 22.788 ( 0.033 3.742 0.000) 3.742 22.870 ( -2.661 -4.173 0.000) 4.949 22.983 ( 6.176 6.552 0.000) 9.004 23.078 ( 3.460 -0.685 0.000) 3.527 23.216 ( 10.475 -4.541 0.000) 11.417 23.266 ( 13.776 -9.404 0.000) 16.680 25.539 ( 2.728 0.255 0.000) 2.740 25.556 ( 2.747 -1.295 0.000) 3.037 25.868 ( -0.844 5.950 0.000) 6.010 25.980 ( -2.289 -5.883 0.000) 6.313 26.762 ( -1.419 9.434 0.000) 9.540 26.905 ( -2.888 -3.825 0.000) 4.793 27.000 ( -7.869 2.476 0.000) 8.249 27.062 ( -5.235 -2.706 0.000) 5.893 ======================= Grid point 20 (13/30) ======================= q-point: ( 0.22 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-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 2.98e-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 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 46 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.288 ( 22.631 15.840 0.000) 27.624 2.458 ( 16.811 10.534 0.000) 19.839 2.654 ( 14.762 10.988 0.000) 18.402 2.964 ( 0.851 12.278 0.000) 12.307 3.015 ( 3.258 11.456 0.000) 11.910 3.109 ( 22.561 -15.883 0.000) 27.591 3.146 ( 7.447 -1.999 0.000) 7.711 3.191 ( 1.163 -6.692 0.000) 6.792 3.279 ( 0.251 9.731 0.000) 9.735 3.360 ( 5.851 5.741 0.000) 8.197 3.485 ( 6.951 10.097 0.000) 12.258 3.585 ( 7.024 -2.506 0.000) 7.458 3.665 ( 1.096 -10.230 0.000) 10.288 3.796 ( 6.882 -3.737 0.000) 7.831 3.909 ( 11.930 4.312 0.000) 12.685 3.983 ( 6.433 -5.224 0.000) 8.287 4.028 ( 7.850 9.573 0.000) 12.380 4.084 ( -2.097 1.184 0.000) 2.408 4.139 ( -4.002 -5.912 0.000) 7.139 4.287 ( 1.292 4.004 0.000) 4.207 4.328 ( 4.121 -3.080 0.000) 5.145 4.400 ( -0.127 -0.471 0.000) 0.488 4.411 ( 4.533 -6.523 0.000) 7.943 4.550 ( 4.225 -8.658 0.000) 9.634 4.637 ( 4.519 4.335 0.000) 6.262 4.691 ( 5.304 1.320 0.000) 5.466 4.717 ( 5.807 3.619 0.000) 6.843 4.834 ( 0.655 6.573 0.000) 6.605 4.926 ( 4.775 -11.974 0.000) 12.891 4.950 ( 1.854 -4.174 0.000) 4.567 5.041 ( -1.092 0.842 0.000) 1.379 5.087 ( 5.518 2.232 0.000) 5.952 5.179 ( 3.556 -3.407 0.000) 4.924 5.208 ( 6.922 -5.612 0.000) 8.911 5.268 ( 2.944 -5.444 0.000) 6.189 5.320 ( 7.586 -3.217 0.000) 8.240 5.380 ( 6.033 1.580 0.000) 6.237 5.453 ( 4.087 -2.669 0.000) 4.881 5.509 ( 0.776 2.739 0.000) 2.847 5.532 ( -1.104 1.814 0.000) 2.123 5.586 ( 1.099 0.757 0.000) 1.334 5.593 ( 0.678 4.397 0.000) 4.449 5.672 ( -0.546 -0.040 0.000) 0.547 5.724 ( -3.026 -1.166 0.000) 3.243 5.802 ( -1.470 -3.115 0.000) 3.444 5.834 ( 0.979 -5.693 0.000) 5.776 5.859 ( 7.643 5.114 0.000) 9.196 5.919 ( 2.662 -1.075 0.000) 2.871 6.041 ( 0.274 6.426 0.000) 6.432 6.103 ( 2.688 3.398 0.000) 4.332 6.151 ( -1.062 -1.477 0.000) 1.819 6.180 ( 2.781 -0.347 0.000) 2.802 6.208 ( 1.502 0.641 0.000) 1.633 6.242 ( -2.379 -2.069 0.000) 3.152 6.322 ( -1.529 3.127 0.000) 3.481 6.428 ( 0.942 -7.409 0.000) 7.468 6.484 ( 3.108 2.698 0.000) 4.116 6.509 ( 3.486 2.229 0.000) 4.138 6.566 ( 1.200 1.815 0.000) 2.176 6.589 ( 1.799 1.588 0.000) 2.400 6.667 ( 3.700 2.427 0.000) 4.425 6.731 ( 1.606 -1.914 0.000) 2.498 6.900 ( 3.749 1.669 0.000) 4.104 6.938 ( -0.034 -0.693 0.000) 0.694 6.987 ( -0.340 3.545 0.000) 3.561 7.055 ( 3.071 -0.622 0.000) 3.134 7.096 ( 0.822 2.173 0.000) 2.323 7.166 ( -0.474 -0.691 0.000) 0.838 7.179 ( -4.521 1.762 0.000) 4.852 7.234 ( -2.544 -3.774 0.000) 4.552 7.338 ( -1.941 1.544 0.000) 2.480 7.384 ( -4.647 0.832 0.000) 4.721 7.473 ( 0.619 1.475 0.000) 1.600 7.498 ( 2.837 -6.703 0.000) 7.279 7.550 ( -0.695 1.637 0.000) 1.778 7.666 ( 0.144 -4.559 0.000) 4.561 7.703 ( 1.576 4.169 0.000) 4.457 7.845 ( -1.109 -8.357 0.000) 8.430 7.896 ( -6.011 6.260 0.000) 8.679 7.979 ( -7.095 -1.275 0.000) 7.209 8.043 ( -0.935 2.642 0.000) 2.802 8.059 ( -9.605 -0.574 0.000) 9.622 8.117 ( -1.007 2.182 0.000) 2.404 8.147 ( -2.100 -1.465 0.000) 2.561 8.211 ( -1.859 0.258 0.000) 1.877 8.231 ( 0.106 0.905 0.000) 0.912 8.342 ( 5.390 1.257 0.000) 5.534 8.362 ( -4.660 -1.169 0.000) 4.805 8.437 ( 2.533 -6.340 0.000) 6.828 8.454 ( -2.115 -4.404 0.000) 4.886 8.585 ( 2.545 2.055 0.000) 3.271 8.629 ( 5.309 -3.161 0.000) 6.179 8.796 ( 0.156 2.165 0.000) 2.171 8.839 ( 3.737 -0.943 0.000) 3.854 8.885 ( -5.201 -0.070 0.000) 5.201 8.923 ( 3.441 -1.446 0.000) 3.732 9.050 ( 1.896 8.115 0.000) 8.333 9.088 ( 0.303 5.452 0.000) 5.460 9.213 ( -2.472 2.088 0.000) 3.236 9.283 ( -1.220 3.329 0.000) 3.545 9.392 ( 3.443 9.949 0.000) 10.528 9.457 ( 3.997 1.139 0.000) 4.156 9.465 ( 3.102 -5.417 0.000) 6.243 9.499 ( -4.171 -1.862 0.000) 4.568 9.528 ( 5.900 -9.270 0.000) 10.988 9.646 ( 5.656 -4.830 0.000) 7.438 9.739 ( 4.614 4.798 0.000) 6.657 9.800 ( -0.599 1.993 0.000) 2.081 9.891 ( 4.248 -3.626 0.000) 5.585 9.912 ( -6.780 3.439 0.000) 7.602 9.992 ( 0.117 -4.716 0.000) 4.717 10.065 ( -10.600 -2.969 0.000) 11.008 10.184 ( 0.655 7.704 0.000) 7.732 10.255 ( -6.989 1.047 0.000) 7.067 10.295 ( -3.774 -3.592 0.000) 5.210 10.397 ( -0.062 6.735 0.000) 6.736 10.427 ( -3.114 -13.894 0.000) 14.239 10.528 ( -0.865 -0.743 0.000) 1.140 10.683 ( 2.289 3.846 0.000) 4.475 10.737 ( 3.831 11.484 0.000) 12.106 10.799 ( -2.163 0.217 0.000) 2.174 10.861 ( -2.540 -3.989 0.000) 4.729 10.906 ( -2.934 -1.010 0.000) 3.103 11.024 ( 1.626 -6.868 0.000) 7.057 11.032 ( -3.586 -4.008 0.000) 5.378 11.142 ( 2.015 -7.133 0.000) 7.412 11.155 ( -5.442 -4.010 0.000) 6.760 11.228 ( -6.204 -6.069 0.000) 8.679 11.430 ( -5.426 4.795 0.000) 7.241 11.514 ( -4.212 -2.887 0.000) 5.106 11.619 ( -6.449 4.684 0.000) 7.971 11.692 ( -5.955 -0.461 0.000) 5.972 11.793 ( -3.684 1.757 0.000) 4.081 11.807 ( -0.355 1.036 0.000) 1.095 11.854 ( -11.834 3.925 0.000) 12.468 11.939 ( -12.562 -2.820 0.000) 12.875 12.036 ( -15.300 9.672 0.000) 18.101 12.147 ( -5.679 7.379 0.000) 9.312 12.239 ( -7.870 -2.898 0.000) 8.386 12.252 ( -3.140 -3.764 0.000) 4.901 12.457 ( -2.820 8.649 0.000) 9.097 12.560 ( -4.174 -0.315 0.000) 4.186 12.733 ( -0.050 4.692 0.000) 4.692 12.808 ( -2.258 -2.631 0.000) 3.467 13.017 ( -7.102 5.927 0.000) 9.250 13.022 ( -0.317 5.589 0.000) 5.598 13.068 ( -9.323 0.441 0.000) 9.333 13.181 ( -1.739 -5.411 0.000) 5.684 13.230 ( -8.220 -2.231 0.000) 8.518 13.282 ( 0.673 -4.903 0.000) 4.949 13.464 ( -10.215 0.315 0.000) 10.220 13.555 ( -9.694 -7.346 0.000) 12.163 13.655 ( -1.552 3.595 0.000) 3.915 13.731 ( 2.297 -5.040 0.000) 5.539 13.866 ( 5.573 3.090 0.000) 6.372 13.970 ( -0.708 -5.194 0.000) 5.242 14.251 ( -0.472 4.599 0.000) 4.624 14.344 ( -0.704 -2.453 0.000) 2.552 14.512 ( -1.719 -0.095 0.000) 1.721 14.543 ( -7.013 -1.513 0.000) 7.175 14.564 ( -1.592 4.623 0.000) 4.890 14.710 ( 0.057 -6.852 0.000) 6.852 14.776 ( 1.075 -0.858 0.000) 1.376 14.945 ( 5.160 -14.208 0.000) 15.116 15.392 ( 2.339 1.830 0.000) 2.969 15.426 ( 6.314 -1.995 0.000) 6.621 15.577 ( 2.542 0.907 0.000) 2.699 15.639 ( 3.536 -4.058 0.000) 5.382 15.771 ( 5.178 3.335 0.000) 6.159 15.825 ( 7.287 -1.933 0.000) 7.539 16.026 ( 8.682 6.334 0.000) 10.747 16.085 ( 7.857 3.039 0.000) 8.425 16.241 ( 4.396 4.336 0.000) 6.174 16.409 ( 5.618 -10.290 0.000) 11.724 16.621 ( 4.736 6.924 0.000) 8.389 16.707 ( 3.299 2.502 0.000) 4.140 16.759 ( 5.028 -5.194 0.000) 7.229 16.772 ( -2.350 -3.861 0.000) 4.520 17.064 ( -2.664 6.666 0.000) 7.179 17.156 ( -0.449 -3.010 0.000) 3.044 17.992 ( -2.813 3.606 0.000) 4.573 18.040 ( -4.189 -0.720 0.000) 4.250 18.255 ( -18.037 16.732 0.000) 24.602 18.446 ( -13.744 -3.622 0.000) 14.214 18.803 ( -3.227 7.758 0.000) 8.403 18.920 ( -7.213 -4.657 0.000) 8.585 19.062 ( -11.368 1.732 0.000) 11.499 19.093 ( -10.654 -1.203 0.000) 10.722 19.450 ( -0.480 1.459 0.000) 1.536 19.471 ( -1.230 -0.654 0.000) 1.394 19.684 ( 6.572 2.421 0.000) 7.003 19.729 ( 2.360 -1.330 0.000) 2.709 20.129 ( 0.013 3.080 0.000) 3.080 20.198 ( -8.471 -3.317 0.000) 9.097 20.391 ( -6.654 9.680 0.000) 11.747 20.646 ( -6.183 -16.092 0.000) 17.239 21.859 ( 2.840 1.861 0.000) 3.396 21.895 ( 3.003 -1.805 0.000) 3.504 22.082 ( 3.261 1.389 0.000) 3.545 22.107 ( 4.146 -1.183 0.000) 4.311 22.409 ( 2.869 0.550 0.000) 2.921 22.416 ( 2.984 -0.200 0.000) 2.990 22.816 ( 2.301 -0.119 0.000) 2.304 22.846 ( 0.311 -3.137 0.000) 3.152 23.119 ( 7.343 6.130 0.000) 9.566 23.173 ( 5.821 1.630 0.000) 6.045 23.420 ( 10.042 -2.925 0.000) 10.460 23.505 ( 10.154 -11.227 0.000) 15.138 25.606 ( 4.034 0.501 0.000) 4.064 25.624 ( 4.096 -1.216 0.000) 4.272 25.850 ( -0.924 3.869 0.000) 3.978 25.927 ( -3.031 -3.877 0.000) 4.921 26.722 ( -2.619 8.863 0.000) 9.242 26.805 ( -6.484 7.547 0.000) 9.950 26.881 ( -4.392 -5.898 0.000) 7.354 26.942 ( -6.661 -5.041 0.000) 8.353 ======================= Grid point 21 (14/30) ======================= q-point: ( 0.33 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-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 2.98e-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 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 46 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.625 ( 11.008 6.527 0.000) 12.798 2.662 ( 6.134 1.510 0.000) 6.317 2.913 ( 11.241 13.746 0.000) 17.757 2.955 ( -1.381 7.525 0.000) 7.651 3.059 ( 2.443 8.762 0.000) 9.096 3.189 ( -0.320 2.181 0.000) 2.204 3.208 ( -1.244 -3.780 0.000) 3.980 3.306 ( 4.185 -1.003 0.000) 4.303 3.434 ( 4.003 -5.448 0.000) 6.761 3.488 ( 13.203 -11.072 0.000) 17.231 3.616 ( 1.108 -2.002 0.000) 2.288 3.685 ( 2.021 -7.770 0.000) 8.029 3.786 ( 20.394 16.138 0.000) 26.007 3.919 ( -1.332 0.979 0.000) 1.653 3.968 ( -4.627 -3.016 0.000) 5.523 4.100 ( 6.488 -7.225 0.000) 9.710 4.106 ( 2.896 -1.087 0.000) 3.093 4.172 ( 1.706 1.836 0.000) 2.507 4.194 ( 12.270 -4.542 0.000) 13.084 4.279 ( -2.238 4.881 0.000) 5.370 4.348 ( 4.319 -4.918 0.000) 6.545 4.416 ( -0.550 -5.080 0.000) 5.109 4.575 ( 4.169 -2.666 0.000) 4.949 4.604 ( 3.363 -3.643 0.000) 4.957 4.695 ( 1.830 0.298 0.000) 1.854 4.705 ( 5.092 -0.784 0.000) 5.152 4.825 ( 0.648 4.022 0.000) 4.074 4.903 ( 1.987 0.769 0.000) 2.130 4.943 ( 4.129 -0.085 0.000) 4.130 4.977 ( -1.875 -4.453 0.000) 4.832 5.100 ( 6.016 6.861 0.000) 9.125 5.186 ( -0.114 5.285 0.000) 5.286 5.194 ( -0.358 0.993 0.000) 1.055 5.265 ( 2.214 -0.388 0.000) 2.248 5.300 ( -5.739 -0.329 0.000) 5.748 5.343 ( -1.430 -3.243 0.000) 3.544 5.425 ( 2.741 2.514 0.000) 3.720 5.464 ( -1.387 0.233 0.000) 1.406 5.516 ( 1.119 1.641 0.000) 1.986 5.526 ( -1.312 2.328 0.000) 2.672 5.597 ( -4.569 -4.527 0.000) 6.431 5.611 ( 1.232 -4.906 0.000) 5.058 5.741 ( 5.862 -1.023 0.000) 5.951 5.758 ( 11.288 -4.244 0.000) 12.060 5.837 ( 5.472 3.774 0.000) 6.647 5.933 ( 5.406 -3.980 0.000) 6.713 5.998 ( 5.462 4.586 0.000) 7.132 6.017 ( 7.974 2.861 0.000) 8.472 6.090 ( 2.036 3.943 0.000) 4.437 6.133 ( -0.697 1.248 0.000) 1.430 6.182 ( 4.487 -1.030 0.000) 4.604 6.229 ( -0.465 -2.441 0.000) 2.485 6.250 ( 5.575 0.969 0.000) 5.658 6.264 ( 2.757 1.969 0.000) 3.388 6.305 ( 3.228 -2.605 0.000) 4.149 6.402 ( 0.048 -7.800 0.000) 7.800 6.552 ( -1.567 8.227 0.000) 8.375 6.571 ( 3.334 5.028 0.000) 6.032 6.645 ( 2.617 1.743 0.000) 3.145 6.652 ( 6.117 1.758 0.000) 6.364 6.720 ( -0.775 1.425 0.000) 1.622 6.764 ( 0.935 -0.170 0.000) 0.951 6.853 ( -2.147 1.034 0.000) 2.383 6.908 ( -2.298 -2.496 0.000) 3.393 6.940 ( -4.026 0.744 0.000) 4.095 6.983 ( -5.581 -0.938 0.000) 5.660 7.138 ( 2.396 1.804 0.000) 3.000 7.189 ( -0.180 2.077 0.000) 2.085 7.207 ( 4.096 2.630 0.000) 4.868 7.246 ( 5.588 -0.187 0.000) 5.591 7.285 ( -5.263 3.968 0.000) 6.591 7.384 ( 1.928 -2.190 0.000) 2.918 7.471 ( -3.831 0.776 0.000) 3.909 7.511 ( 0.176 4.953 0.000) 4.956 7.601 ( -4.439 -2.276 0.000) 4.989 7.665 ( 8.974 -1.685 0.000) 9.131 7.740 ( -1.682 4.691 0.000) 4.983 7.794 ( 1.629 2.242 0.000) 2.771 7.859 ( -4.413 -8.317 0.000) 9.416 7.907 ( 1.261 1.554 0.000) 2.001 7.950 ( 4.145 -4.736 0.000) 6.294 7.970 ( -0.283 -0.997 0.000) 1.037 8.107 ( -5.354 4.334 0.000) 6.889 8.122 ( 0.221 4.214 0.000) 4.219 8.221 ( 1.863 -2.202 0.000) 2.884 8.242 ( 1.945 -7.635 0.000) 7.879 8.308 ( 1.540 4.399 0.000) 4.661 8.424 ( 2.764 -4.555 0.000) 5.328 8.437 ( 1.237 -2.604 0.000) 2.883 8.484 ( 1.823 -5.749 0.000) 6.031 8.706 ( -5.008 0.649 0.000) 5.050 8.729 ( 0.490 -1.340 0.000) 1.426 8.806 ( 8.808 5.895 0.000) 10.599 8.866 ( 6.230 -0.294 0.000) 6.237 8.870 ( 4.419 4.644 0.000) 6.410 8.953 ( 0.730 -2.836 0.000) 2.929 9.036 ( -0.715 8.650 0.000) 8.679 9.107 ( -2.843 6.171 0.000) 6.794 9.210 ( 5.801 -6.008 0.000) 8.351 9.250 ( -1.661 -4.434 0.000) 4.735 9.336 ( -6.386 6.365 0.000) 9.017 9.439 ( 1.003 -2.284 0.000) 2.495 9.514 ( 4.367 3.643 0.000) 5.688 9.582 ( -8.995 4.927 0.000) 10.256 9.605 ( 8.558 4.625 0.000) 9.728 9.659 ( 5.675 -10.034 0.000) 11.527 9.718 ( -4.852 -3.572 0.000) 6.025 9.795 ( 3.215 -4.210 0.000) 5.297 9.884 ( 1.512 8.969 0.000) 9.095 9.932 ( 1.350 1.022 0.000) 1.693 10.016 ( -1.022 -5.354 0.000) 5.451 10.066 ( 2.956 -8.461 0.000) 8.963 10.162 ( 2.400 2.456 0.000) 3.434 10.223 ( 2.069 -1.362 0.000) 2.477 10.304 ( -0.756 0.490 0.000) 0.901 10.361 ( 0.700 3.096 0.000) 3.174 10.426 ( 1.333 -7.146 0.000) 7.270 10.501 ( -0.774 -6.072 0.000) 6.121 10.677 ( -6.833 1.777 0.000) 7.060 10.697 ( -7.347 -0.558 0.000) 7.369 10.757 ( -0.358 9.994 0.000) 10.001 10.804 ( -5.164 1.464 0.000) 5.367 10.862 ( -4.870 -0.079 0.000) 4.871 10.902 ( -5.303 -3.421 0.000) 6.311 11.015 ( -1.089 3.043 0.000) 3.232 11.052 ( -6.290 -4.760 0.000) 7.888 11.092 ( -9.267 -9.034 0.000) 12.942 11.202 ( -1.281 -12.219 0.000) 12.286 11.273 ( -10.485 3.185 0.000) 10.958 11.323 ( -14.564 0.051 0.000) 14.564 11.507 ( -7.198 5.184 0.000) 8.870 11.534 ( -9.089 2.220 0.000) 9.356 11.605 ( -2.275 4.923 0.000) 5.423 11.700 ( -10.221 1.056 0.000) 10.275 11.742 ( -6.229 0.818 0.000) 6.282 11.789 ( 0.721 -7.600 0.000) 7.634 11.848 ( -4.019 5.197 0.000) 6.570 11.940 ( -10.678 -3.599 0.000) 11.268 12.165 ( -4.009 4.987 0.000) 6.399 12.195 ( -2.101 1.633 0.000) 2.661 12.316 ( -12.639 5.487 0.000) 13.779 12.415 ( -9.931 -2.508 0.000) 10.242 12.571 ( -16.477 2.427 0.000) 16.655 12.644 ( -12.486 -6.412 0.000) 14.036 12.814 ( -5.278 3.888 0.000) 6.556 12.912 ( -6.153 -6.677 0.000) 9.080 13.012 ( -2.193 8.541 0.000) 8.818 13.184 ( -4.280 4.102 0.000) 5.928 13.225 ( -1.339 -7.741 0.000) 7.856 13.260 ( 6.320 1.863 0.000) 6.589 13.360 ( -1.436 -2.724 0.000) 3.080 13.386 ( 0.611 -1.396 0.000) 1.524 13.636 ( -1.898 5.492 0.000) 5.811 13.749 ( -1.511 -5.814 0.000) 6.007 13.896 ( -0.451 3.998 0.000) 4.023 13.994 ( 0.985 -5.892 0.000) 5.974 14.283 ( 5.320 6.669 0.000) 8.531 14.386 ( 4.072 -2.273 0.000) 4.663 14.457 ( -1.155 0.938 0.000) 1.488 14.508 ( 0.491 -3.756 0.000) 3.788 14.592 ( 2.363 5.211 0.000) 5.722 14.734 ( 0.980 -6.189 0.000) 6.266 14.908 ( 9.382 1.902 0.000) 9.573 15.062 ( 5.687 -11.745 0.000) 13.049 15.439 ( 2.761 3.196 0.000) 4.223 15.533 ( 3.330 -6.709 0.000) 7.490 15.614 ( 3.004 3.845 0.000) 4.880 15.706 ( 2.990 -4.541 0.000) 5.437 15.876 ( 4.986 5.097 0.000) 7.130 15.959 ( 6.400 -2.816 0.000) 6.992 16.110 ( 0.161 7.910 0.000) 7.912 16.231 ( 5.963 0.300 0.000) 5.971 16.286 ( 0.642 5.928 0.000) 5.963 16.477 ( 1.620 -9.767 0.000) 9.900 16.577 ( -3.096 3.536 0.000) 4.700 16.636 ( -3.686 -1.050 0.000) 3.833 16.892 ( 7.390 -0.797 0.000) 7.433 16.920 ( 6.294 -2.751 0.000) 6.869 17.057 ( 2.238 6.822 0.000) 7.180 17.160 ( 1.092 -4.206 0.000) 4.345 17.925 ( -4.664 5.868 0.000) 7.496 17.941 ( -5.677 1.481 0.000) 5.867 17.989 ( -8.989 9.910 0.000) 13.380 18.192 ( -12.038 -7.679 0.000) 14.279 18.718 ( -5.479 3.950 0.000) 6.754 18.768 ( -7.718 -1.320 0.000) 7.830 18.888 ( -5.873 3.181 0.000) 6.679 18.941 ( -5.873 -1.980 0.000) 6.198 19.418 ( -2.607 1.685 0.000) 3.104 19.430 ( -2.841 0.475 0.000) 2.881 19.740 ( -0.196 1.222 0.000) 1.238 19.769 ( 1.488 -1.866 0.000) 2.387 20.072 ( -1.634 3.977 0.000) 4.300 20.165 ( 3.720 -4.873 0.000) 6.130 20.314 ( -3.641 8.090 0.000) 8.871 20.517 ( -7.039 -12.128 0.000) 14.023 21.916 ( 2.849 2.071 0.000) 3.522 21.948 ( 2.187 -0.944 0.000) 2.382 22.127 ( 1.753 1.352 0.000) 2.214 22.157 ( 1.312 -1.478 0.000) 1.977 22.456 ( 1.936 0.982 0.000) 2.170 22.464 ( 1.812 0.259 0.000) 1.830 22.861 ( 2.193 -2.042 0.000) 2.996 22.870 ( 1.666 -2.710 0.000) 3.181 23.248 ( 5.773 5.595 0.000) 8.039 23.279 ( 4.730 3.250 0.000) 5.739 23.584 ( 6.925 -3.093 0.000) 7.585 23.650 ( 5.051 -9.079 0.000) 10.390 25.685 ( 3.991 0.888 0.000) 4.089 25.703 ( 3.891 -0.874 0.000) 3.988 25.834 ( -0.816 1.796 0.000) 1.973 25.870 ( -2.765 -1.688 0.000) 3.240 26.667 ( -2.795 7.852 0.000) 8.334 26.706 ( -3.648 6.693 0.000) 7.623 26.804 ( -3.767 -6.040 0.000) 7.118 26.827 ( -4.871 -5.376 0.000) 7.255 ======================= Grid point 22 (15/30) ======================= q-point: ( 0.44 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-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 2.98e-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 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 46 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.724 ( 1.898 6.173 0.000) 6.458 2.735 ( 1.150 5.628 0.000) 5.744 2.941 ( 0.757 -0.622 0.000) 0.979 2.974 ( -2.102 -2.875 0.000) 3.562 3.172 ( 2.913 2.350 0.000) 3.743 3.184 ( 0.046 2.291 0.000) 2.291 3.236 ( 6.735 -2.690 0.000) 7.252 3.338 ( -2.187 -7.734 0.000) 8.037 3.481 ( 3.426 -2.254 0.000) 4.101 3.554 ( -2.685 -7.428 0.000) 7.899 3.743 ( 6.548 3.858 0.000) 7.600 3.803 ( 8.308 1.117 0.000) 8.383 3.845 ( -3.114 2.099 0.000) 3.755 3.917 ( -0.095 -4.659 0.000) 4.660 4.018 ( -6.276 1.975 0.000) 6.579 4.058 ( -5.293 -2.623 0.000) 5.907 4.175 ( 7.006 8.950 0.000) 11.366 4.211 ( 10.544 5.610 0.000) 11.944 4.276 ( -4.797 -3.162 0.000) 5.745 4.354 ( 3.193 0.323 0.000) 3.210 4.452 ( 5.609 -2.576 0.000) 6.172 4.468 ( 3.054 -7.106 0.000) 7.735 4.624 ( 3.135 -0.342 0.000) 3.153 4.657 ( 1.169 -3.813 0.000) 3.988 4.754 ( 4.074 1.159 0.000) 4.236 4.803 ( 1.802 -2.478 0.000) 3.064 4.841 ( -3.126 -1.459 0.000) 3.449 4.878 ( -3.758 -1.019 0.000) 3.894 4.937 ( 5.459 -0.453 0.000) 5.478 4.986 ( 1.463 -3.720 0.000) 3.998 5.066 ( -5.994 2.002 0.000) 6.319 5.089 ( -8.520 1.305 0.000) 8.619 5.180 ( 1.117 1.290 0.000) 1.707 5.193 ( 0.130 -1.157 0.000) 1.164 5.310 ( -0.242 1.832 0.000) 1.848 5.354 ( -3.989 -1.001 0.000) 4.113 5.429 ( -1.576 1.068 0.000) 1.904 5.461 ( -4.015 -1.609 0.000) 4.326 5.510 ( 3.308 -1.920 0.000) 3.825 5.520 ( 2.919 -2.767 0.000) 4.022 5.652 ( 5.694 3.497 0.000) 6.682 5.670 ( 1.520 0.780 0.000) 1.709 5.825 ( 6.117 5.650 0.000) 8.327 5.903 ( 3.670 3.820 0.000) 5.297 5.937 ( 2.847 -3.405 0.000) 4.439 5.974 ( 2.501 -3.229 0.000) 4.084 6.049 ( -5.500 3.810 0.000) 6.691 6.064 ( -3.055 0.756 0.000) 3.147 6.169 ( 5.937 6.009 0.000) 8.448 6.187 ( 7.840 7.813 0.000) 11.068 6.234 ( 0.014 1.320 0.000) 1.320 6.296 ( 5.115 0.052 0.000) 5.115 6.302 ( -0.555 -3.885 0.000) 3.925 6.359 ( 3.206 0.440 0.000) 3.236 6.394 ( 1.320 -3.498 0.000) 3.739 6.401 ( 3.286 -3.694 0.000) 4.944 6.515 ( 1.908 5.448 0.000) 5.772 6.577 ( -5.386 -0.718 0.000) 5.434 6.585 ( -2.455 4.200 0.000) 4.865 6.606 ( -5.786 1.358 0.000) 5.943 6.724 ( -0.225 0.831 0.000) 0.861 6.766 ( -0.572 0.626 0.000) 0.848 6.849 ( -1.268 2.400 0.000) 2.714 6.894 ( -1.253 -0.955 0.000) 1.575 6.924 ( 3.084 0.821 0.000) 3.191 6.984 ( -1.104 -4.529 0.000) 4.661 7.139 ( -1.474 5.604 0.000) 5.794 7.163 ( 0.175 1.872 0.000) 1.880 7.178 ( -1.818 -1.543 0.000) 2.385 7.204 ( -0.991 -1.212 0.000) 1.565 7.362 ( -2.220 1.704 0.000) 2.799 7.400 ( -5.149 -0.665 0.000) 5.191 7.421 ( 8.687 3.621 0.000) 9.411 7.496 ( 7.646 -1.762 0.000) 7.847 7.628 ( -4.398 3.088 0.000) 5.374 7.653 ( -3.906 0.948 0.000) 4.020 7.769 ( 2.646 10.783 0.000) 11.103 7.852 ( -1.597 4.573 0.000) 4.844 7.906 ( 4.974 0.619 0.000) 5.012 7.930 ( 7.445 -1.048 0.000) 7.518 7.968 ( -0.656 -3.220 0.000) 3.287 8.003 ( 0.701 -5.907 0.000) 5.948 8.079 ( -0.686 1.794 0.000) 1.921 8.161 ( -2.175 4.912 0.000) 5.372 8.224 ( 3.168 -4.758 0.000) 5.716 8.309 ( 6.319 -1.922 0.000) 6.605 8.353 ( -3.293 1.832 0.000) 3.769 8.412 ( -6.322 -4.259 0.000) 7.623 8.474 ( 9.006 -5.327 0.000) 10.463 8.507 ( 3.196 -7.380 0.000) 8.042 8.616 ( -3.368 4.442 0.000) 5.575 8.686 ( -6.937 -0.940 0.000) 7.000 8.913 ( 2.288 5.258 0.000) 5.734 8.936 ( 3.751 3.821 0.000) 5.354 8.957 ( -0.902 1.952 0.000) 2.150 8.983 ( 0.375 0.205 0.000) 0.428 9.088 ( 5.228 3.464 0.000) 6.272 9.139 ( 1.124 3.627 0.000) 3.797 9.244 ( 6.698 -1.901 0.000) 6.963 9.318 ( 6.407 -4.931 0.000) 8.085 9.399 ( 2.352 9.391 0.000) 9.681 9.482 ( 4.655 -1.882 0.000) 5.021 9.510 ( 6.877 -5.106 0.000) 8.566 9.583 ( 4.210 -3.621 0.000) 5.553 9.615 ( -3.863 -2.896 0.000) 4.828 9.691 ( -9.112 -7.760 0.000) 11.969 9.785 ( 6.466 4.892 0.000) 8.108 9.848 ( 1.342 -0.612 0.000) 1.475 9.867 ( -1.993 1.203 0.000) 2.328 9.895 ( -4.717 -4.512 0.000) 6.528 10.051 ( 2.809 0.795 0.000) 2.920 10.092 ( 1.782 -2.923 0.000) 3.423 10.162 ( 3.150 3.360 0.000) 4.605 10.225 ( 1.819 0.155 0.000) 1.825 10.297 ( -5.739 -2.191 0.000) 6.143 10.335 ( -9.740 -3.358 0.000) 10.303 10.458 ( 3.957 0.609 0.000) 4.003 10.511 ( -4.609 0.587 0.000) 4.646 10.544 ( -5.524 -2.379 0.000) 6.014 10.568 ( -0.044 -6.028 0.000) 6.028 10.639 ( -6.863 2.486 0.000) 7.300 10.689 ( -4.664 -2.607 0.000) 5.343 10.727 ( -0.421 3.032 0.000) 3.061 10.860 ( -7.128 -7.052 0.000) 10.027 10.905 ( -4.564 3.148 0.000) 5.544 10.936 ( -2.171 0.146 0.000) 2.176 10.971 ( -3.682 0.709 0.000) 3.750 11.059 ( -1.514 -4.822 0.000) 5.054 11.181 ( 1.879 5.837 0.000) 6.133 11.286 ( -1.772 -5.165 0.000) 5.460 11.384 ( -0.860 1.785 0.000) 1.981 11.408 ( -3.850 -0.767 0.000) 3.926 11.487 ( -10.086 1.754 0.000) 10.238 11.495 ( -9.524 1.602 0.000) 9.657 11.716 ( 3.249 1.467 0.000) 3.565 11.773 ( -2.525 0.021 0.000) 2.525 11.863 ( 5.010 3.165 0.000) 5.926 11.911 ( 1.790 -2.398 0.000) 2.993 12.019 ( -3.879 6.928 0.000) 7.940 12.150 ( -11.791 1.093 0.000) 11.841 12.180 ( -3.376 -0.858 0.000) 3.483 12.195 ( 0.361 1.838 0.000) 1.873 12.348 ( -5.462 -4.554 0.000) 7.112 12.394 ( -10.565 -9.668 0.000) 14.321 12.813 ( 3.206 3.672 0.000) 4.875 12.885 ( -0.299 -3.138 0.000) 3.152 12.920 ( -2.838 1.303 0.000) 3.123 13.006 ( -7.961 -4.764 0.000) 9.278 13.304 ( 3.393 3.497 0.000) 4.872 13.339 ( -0.435 4.455 0.000) 4.476 13.406 ( 7.447 0.077 0.000) 7.448 13.481 ( 3.208 -3.430 0.000) 4.696 13.583 ( -1.105 5.941 0.000) 6.043 13.670 ( -6.104 -1.732 0.000) 6.345 13.918 ( 2.648 0.727 0.000) 2.746 13.973 ( -2.551 -3.951 0.000) 4.703 14.415 ( 5.829 1.399 0.000) 5.995 14.449 ( 1.157 -2.546 0.000) 2.797 14.462 ( 1.889 3.872 0.000) 4.308 14.510 ( -1.002 -0.428 0.000) 1.089 14.641 ( 3.210 4.047 0.000) 5.165 14.713 ( -3.247 -1.501 0.000) 3.577 15.067 ( 6.216 -2.944 0.000) 6.878 15.125 ( 0.316 -7.980 0.000) 7.987 15.498 ( 3.212 2.363 0.000) 3.987 15.545 ( -1.241 -1.036 0.000) 1.617 15.691 ( 3.624 -2.744 0.000) 4.545 15.733 ( -0.490 -5.042 0.000) 5.065 15.964 ( 4.483 6.437 0.000) 7.844 16.039 ( -1.671 1.722 0.000) 2.400 16.104 ( 3.857 2.946 0.000) 4.853 16.206 ( -4.920 -3.211 0.000) 5.875 16.370 ( 5.183 6.494 0.000) 8.309 16.455 ( -3.485 2.050 0.000) 4.043 16.559 ( 1.036 -4.119 0.000) 4.247 16.589 ( -1.840 -3.144 0.000) 3.642 16.983 ( 2.304 1.202 0.000) 2.599 16.991 ( 1.447 0.193 0.000) 1.460 17.135 ( 4.519 2.324 0.000) 5.082 17.182 ( 0.062 -2.257 0.000) 2.258 17.825 ( -2.982 10.091 0.000) 10.522 17.840 ( -4.019 5.935 0.000) 7.167 17.927 ( 0.816 -3.866 0.000) 3.951 18.004 ( -7.166 -7.452 0.000) 10.338 18.635 ( -2.173 1.798 0.000) 2.821 18.651 ( -3.812 0.219 0.000) 3.818 18.831 ( -0.625 1.816 0.000) 1.921 18.855 ( -3.033 -0.559 0.000) 3.084 19.376 ( -1.120 1.747 0.000) 2.075 19.382 ( -1.667 1.195 0.000) 2.051 19.742 ( 0.520 -0.011 0.000) 0.520 19.760 ( -1.244 -1.981 0.000) 2.340 20.118 ( 4.693 6.846 0.000) 8.300 20.207 ( -3.173 5.103 0.000) 6.010 20.279 ( 3.723 -5.771 0.000) 6.868 20.386 ( -6.429 -9.256 0.000) 11.270 21.960 ( 1.586 1.623 0.000) 2.269 21.973 ( 0.340 0.477 0.000) 0.586 22.154 ( 1.030 0.153 0.000) 1.041 22.166 ( -0.179 -0.978 0.000) 0.994 22.482 ( 0.743 1.102 0.000) 1.329 22.485 ( 0.436 0.832 0.000) 0.940 22.893 ( 0.938 -2.691 0.000) 2.850 22.895 ( 0.715 -2.817 0.000) 2.906 23.330 ( 2.504 5.172 0.000) 5.746 23.340 ( 1.415 4.416 0.000) 4.638 23.682 ( 3.165 -4.546 0.000) 5.539 23.705 ( 0.788 -6.603 0.000) 6.650 25.753 ( 2.864 0.959 0.000) 3.020 25.765 ( 2.135 -0.199 0.000) 2.144 25.817 ( -1.008 0.274 0.000) 1.045 25.822 ( -2.096 -0.191 0.000) 2.105 26.634 ( -0.348 5.945 0.000) 5.955 26.653 ( -2.078 5.222 0.000) 5.621 26.751 ( -1.174 -4.965 0.000) 5.102 26.761 ( -2.045 -4.743 0.000) 5.165 ======================= Grid point 45 (16/30) ======================= q-point: ( 0.00 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-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 2.98e-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 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| 0.985 ( 0.000 0.000 44.937) 44.937 1.099 ( 0.000 0.000 50.301) 50.301 1.681 ( 0.000 0.000 67.266) 67.266 1.878 ( 0.000 0.000 -26.726) 26.726 2.076 ( 0.000 0.000 -39.779) 39.779 2.811 ( 0.000 0.000 -9.252) 9.252 2.850 ( 0.000 0.000 -0.765) 0.765 3.037 ( 0.000 0.000 -8.624) 8.624 3.087 ( 0.000 0.000 5.223) 5.223 3.347 ( 0.000 0.000 -39.659) 39.659 3.364 ( 0.000 0.000 10.112) 10.112 3.467 ( 0.000 0.000 13.938) 13.938 3.558 ( 0.000 0.000 -9.278) 9.278 3.623 ( 0.000 0.000 1.957) 1.957 3.703 ( 0.000 0.000 12.901) 12.901 3.714 ( 0.000 0.000 11.544) 11.544 3.844 ( 0.000 0.000 -8.487) 8.487 3.912 ( 0.000 0.000 -1.732) 1.732 4.033 ( 0.000 0.000 -14.022) 14.022 4.040 ( 0.000 0.000 -3.343) 3.343 4.186 ( 0.000 0.000 0.286) 0.286 4.249 ( 0.000 0.000 -5.968) 5.968 4.283 ( 0.000 0.000 -3.179) 3.179 4.354 ( 0.000 0.000 -4.436) 4.436 4.588 ( 0.000 0.000 -0.505) 0.505 4.674 ( 0.000 0.000 -9.559) 9.559 4.802 ( 0.000 0.000 0.559) 0.559 4.815 ( 0.000 0.000 0.972) 0.972 4.849 ( 0.000 0.000 4.369) 4.369 4.957 ( 0.000 0.000 -3.970) 3.970 5.086 ( 0.000 0.000 6.757) 6.757 5.144 ( 0.000 0.000 3.103) 3.103 5.150 ( 0.000 0.000 5.308) 5.308 5.182 ( 0.000 0.000 4.151) 4.151 5.196 ( 0.000 0.000 2.602) 2.602 5.230 ( 0.000 0.000 6.064) 6.064 5.295 ( 0.000 0.000 -3.353) 3.353 5.337 ( 0.000 0.000 0.169) 0.169 5.340 ( 0.000 0.000 5.062) 5.062 5.441 ( 0.000 0.000 -4.628) 4.628 5.569 ( 0.000 0.000 -1.860) 1.860 5.615 ( 0.000 0.000 4.975) 4.975 5.672 ( 0.000 0.000 2.619) 2.619 5.785 ( 0.000 0.000 -3.961) 3.961 5.894 ( 0.000 0.000 -14.059) 14.059 5.895 ( 0.000 0.000 -9.881) 9.881 5.972 ( 0.000 0.000 9.415) 9.415 6.051 ( 0.000 0.000 -0.531) 0.531 6.073 ( 0.000 0.000 4.792) 4.792 6.085 ( 0.000 0.000 -2.762) 2.762 6.115 ( 0.000 0.000 0.552) 0.552 6.173 ( 0.000 0.000 0.457) 0.457 6.290 ( 0.000 0.000 3.713) 3.713 6.371 ( 0.000 0.000 -0.717) 0.717 6.373 ( 0.000 0.000 0.800) 0.800 6.391 ( 0.000 0.000 -4.795) 4.795 6.478 ( 0.000 0.000 5.265) 5.265 6.512 ( 0.000 0.000 7.906) 7.906 6.593 ( 0.000 0.000 6.871) 6.871 6.644 ( 0.000 0.000 -5.846) 5.846 6.660 ( 0.000 0.000 -1.275) 1.275 6.704 ( 0.000 0.000 -0.240) 0.240 6.812 ( 0.000 0.000 3.992) 3.992 6.846 ( 0.000 0.000 -2.757) 2.757 6.866 ( 0.000 0.000 1.447) 1.447 6.902 ( 0.000 0.000 8.226) 8.226 7.106 ( 0.000 0.000 -1.253) 1.253 7.247 ( 0.000 0.000 -14.277) 14.277 7.314 ( 0.000 0.000 15.012) 15.012 7.328 ( 0.000 0.000 4.309) 4.309 7.406 ( 0.000 0.000 7.698) 7.698 7.435 ( 0.000 0.000 -3.278) 3.278 7.540 ( 0.000 0.000 -4.599) 4.599 7.600 ( 0.000 0.000 -3.398) 3.398 7.678 ( 0.000 0.000 2.010) 2.010 7.685 ( 0.000 0.000 -3.896) 3.896 7.714 ( 0.000 0.000 6.059) 6.059 7.811 ( 0.000 0.000 -3.059) 3.059 7.860 ( 0.000 0.000 -3.273) 3.273 7.948 ( 0.000 0.000 4.898) 4.898 8.096 ( 0.000 0.000 -11.270) 11.270 8.119 ( 0.000 0.000 -6.524) 6.524 8.164 ( 0.000 0.000 6.220) 6.220 8.178 ( 0.000 0.000 3.016) 3.016 8.324 ( 0.000 0.000 0.514) 0.514 8.363 ( 0.000 0.000 -2.704) 2.704 8.384 ( 0.000 0.000 1.049) 1.049 8.449 ( 0.000 0.000 -4.080) 4.080 8.481 ( 0.000 0.000 -0.416) 0.416 8.496 ( 0.000 0.000 -3.808) 3.808 8.607 ( 0.000 0.000 2.327) 2.327 8.654 ( 0.000 0.000 -3.497) 3.497 8.715 ( 0.000 0.000 4.288) 4.288 8.831 ( 0.000 0.000 -6.833) 6.833 8.901 ( 0.000 0.000 7.263) 7.263 8.973 ( 0.000 0.000 3.650) 3.650 9.081 ( 0.000 0.000 -0.815) 0.815 9.101 ( 0.000 0.000 3.280) 3.280 9.121 ( 0.000 0.000 9.828) 9.828 9.147 ( 0.000 0.000 -1.331) 1.331 9.234 ( 0.000 0.000 -3.690) 3.690 9.299 ( 0.000 0.000 -4.068) 4.068 9.403 ( 0.000 0.000 1.823) 1.823 9.502 ( 0.000 0.000 3.843) 3.843 9.523 ( 0.000 0.000 1.950) 1.950 9.581 ( 0.000 0.000 -15.391) 15.391 9.610 ( 0.000 0.000 6.831) 6.831 9.793 ( 0.000 0.000 3.066) 3.066 9.818 ( 0.000 0.000 -6.550) 6.550 9.844 ( 0.000 0.000 -4.481) 4.481 10.057 ( 0.000 0.000 8.850) 8.850 10.082 ( 0.000 0.000 3.271) 3.271 10.266 ( 0.000 0.000 -0.449) 0.449 10.288 ( 0.000 0.000 -7.868) 7.868 10.327 ( 0.000 0.000 -3.973) 3.973 10.349 ( 0.000 0.000 -6.580) 6.580 10.608 ( 0.000 0.000 4.851) 4.851 10.777 ( 0.000 0.000 -8.505) 8.505 10.884 ( 0.000 0.000 8.819) 8.819 10.943 ( 0.000 0.000 -0.967) 0.967 10.978 ( 0.000 0.000 4.217) 4.217 11.060 ( 0.000 0.000 1.279) 1.279 11.076 ( 0.000 0.000 -2.111) 2.111 11.123 ( 0.000 0.000 -3.474) 3.474 11.204 ( 0.000 0.000 9.433) 9.433 11.269 ( 0.000 0.000 5.002) 5.002 11.323 ( 0.000 0.000 2.348) 2.348 11.334 ( 0.000 0.000 3.627) 3.627 11.439 ( 0.000 0.000 -2.974) 2.974 11.456 ( 0.000 0.000 -1.699) 1.699 11.519 ( 0.000 0.000 -7.724) 7.724 11.534 ( 0.000 0.000 -4.148) 4.148 11.761 ( 0.000 0.000 6.470) 6.470 11.831 ( 0.000 0.000 4.452) 4.452 11.920 ( 0.000 0.000 -6.258) 6.258 11.938 ( 0.000 0.000 -0.451) 0.451 11.962 ( 0.000 0.000 -0.570) 0.570 12.075 ( 0.000 0.000 -10.387) 10.387 12.139 ( 0.000 0.000 10.786) 10.786 12.271 ( 0.000 0.000 4.597) 4.597 12.377 ( 0.000 0.000 -0.683) 0.683 12.477 ( 0.000 0.000 -11.788) 11.788 12.740 ( 0.000 0.000 6.306) 6.306 12.744 ( 0.000 0.000 3.241) 3.241 12.915 ( 0.000 0.000 2.910) 2.910 12.984 ( 0.000 0.000 -3.030) 3.030 13.118 ( 0.000 0.000 2.811) 2.811 13.241 ( 0.000 0.000 -5.968) 5.968 13.482 ( 0.000 0.000 2.387) 2.387 13.501 ( 0.000 0.000 0.721) 0.721 13.569 ( 0.000 0.000 -3.532) 3.532 13.572 ( 0.000 0.000 -2.893) 2.893 13.764 ( 0.000 0.000 5.856) 5.856 13.895 ( 0.000 0.000 -5.485) 5.485 14.125 ( 0.000 0.000 8.972) 8.972 14.274 ( 0.000 0.000 -5.630) 5.630 14.456 ( 0.000 0.000 4.537) 4.537 14.613 ( 0.000 0.000 -7.948) 7.948 14.760 ( 0.000 0.000 5.013) 5.013 14.868 ( 0.000 0.000 -4.549) 4.549 15.018 ( 0.000 0.000 5.889) 5.889 15.123 ( 0.000 0.000 -3.427) 3.427 15.225 ( 0.000 0.000 7.380) 7.380 15.341 ( 0.000 0.000 -0.052) 0.052 15.371 ( 0.000 0.000 2.523) 2.523 15.467 ( 0.000 0.000 -5.478) 5.478 15.492 ( 0.000 0.000 -3.497) 3.497 15.521 ( 0.000 0.000 -4.467) 4.467 15.757 ( 0.000 0.000 3.553) 3.553 15.784 ( 0.000 0.000 0.203) 0.203 15.844 ( 0.000 0.000 2.685) 2.685 15.856 ( 0.000 0.000 1.282) 1.282 16.073 ( 0.000 0.000 1.203) 1.203 16.146 ( 0.000 0.000 -4.913) 4.913 16.265 ( 0.000 0.000 2.941) 2.941 16.317 ( 0.000 0.000 -0.733) 0.733 16.794 ( 0.000 0.000 2.490) 2.490 16.853 ( 0.000 0.000 -1.825) 1.825 16.892 ( 0.000 0.000 -3.753) 3.753 16.896 ( 0.000 0.000 -2.368) 2.368 17.668 ( 0.000 0.000 13.239) 13.239 17.933 ( 0.000 0.000 -9.901) 9.901 18.438 ( 0.000 0.000 6.287) 6.287 18.553 ( 0.000 0.000 -3.351) 3.351 18.642 ( 0.000 0.000 10.619) 10.619 18.989 ( 0.000 0.000 -21.354) 21.354 19.389 ( 0.000 0.000 0.293) 0.293 19.398 ( 0.000 0.000 -0.423) 0.423 19.467 ( 0.000 0.000 0.124) 0.124 19.468 ( 0.000 0.000 -0.065) 0.065 19.851 ( 0.000 0.000 7.836) 7.836 19.909 ( 0.000 0.000 -0.620) 0.620 19.999 ( 0.000 0.000 3.685) 3.685 20.077 ( 0.000 0.000 -2.342) 2.342 20.466 ( 0.000 0.000 11.172) 11.172 20.746 ( 0.000 0.000 -12.369) 12.369 21.804 ( 0.000 0.000 1.687) 1.687 21.839 ( 0.000 0.000 -1.449) 1.449 21.913 ( 0.000 0.000 0.558) 0.558 21.922 ( 0.000 0.000 -0.307) 0.307 22.398 ( 0.000 0.000 5.302) 5.302 22.534 ( 0.000 0.000 -7.046) 7.046 22.827 ( 0.000 0.000 6.425) 6.425 22.952 ( 0.000 0.000 -5.278) 5.278 23.168 ( 0.000 0.000 3.109) 3.109 23.223 ( 0.000 0.000 -2.042) 2.042 23.277 ( 0.000 0.000 0.575) 0.575 23.287 ( 0.000 0.000 -0.355) 0.355 25.577 ( 0.000 0.000 1.482) 1.482 25.608 ( 0.000 0.000 -1.237) 1.237 25.943 ( 0.000 0.000 1.006) 1.006 25.966 ( 0.000 0.000 -0.909) 0.909 26.453 ( 0.000 0.000 1.365) 1.365 26.490 ( 0.000 0.000 -1.894) 1.894 27.095 ( 0.000 0.000 2.227) 2.227 27.145 ( 0.000 0.000 -2.055) 2.055 ======================= Grid point 46 (17/30) ======================= q-point: ( 0.11 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-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 2.98e-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 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 42 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.169 ( 23.890 0.000 32.834) 40.605 1.256 ( 25.056 0.000 32.494) 41.033 1.969 ( 11.447 0.000 -31.482) 33.498 2.037 ( 1.815 0.000 -39.793) 39.834 2.286 ( 40.940 0.000 50.360) 64.902 2.804 ( 0.887 0.000 -4.181) 4.274 2.895 ( 1.378 0.000 2.784) 3.106 3.044 ( 0.467 0.000 1.827) 1.886 3.128 ( 7.342 0.000 5.026) 8.897 3.448 ( 3.714 0.000 13.385) 13.891 3.552 ( 10.812 0.000 -10.637) 15.167 3.595 ( 10.759 0.000 -9.063) 14.068 3.674 ( 7.833 0.000 0.031) 7.833 3.735 ( 5.707 0.000 3.038) 6.465 3.781 ( 9.270 0.000 10.150) 13.746 3.867 ( 22.614 0.000 -2.291) 22.729 3.908 ( 4.626 0.000 -7.494) 8.807 3.995 ( 5.284 0.000 -9.223) 10.629 4.039 ( 5.942 0.000 -7.233) 9.361 4.120 ( 6.988 0.000 -7.023) 9.908 4.152 ( 3.400 0.000 1.460) 3.701 4.220 ( -1.968 0.000 -5.749) 6.077 4.347 ( 4.285 0.000 -3.398) 5.469 4.390 ( 6.599 0.000 -6.064) 8.962 4.654 ( 5.181 0.000 5.944) 7.885 4.789 ( -1.087 0.000 -1.095) 1.542 4.822 ( 3.818 0.000 -2.095) 4.355 4.835 ( 1.382 0.000 3.503) 3.765 4.887 ( 1.798 0.000 -5.882) 6.151 4.935 ( 2.889 0.000 -3.385) 4.450 5.059 ( -0.272 0.000 8.166) 8.170 5.100 ( -2.319 0.000 5.886) 6.327 5.155 ( 0.977 0.000 5.198) 5.289 5.200 ( 1.084 0.000 2.191) 2.444 5.254 ( 4.322 0.000 2.183) 4.842 5.263 ( -1.556 0.000 -4.621) 4.876 5.297 ( 3.479 0.000 4.586) 5.756 5.350 ( 5.526 0.000 -3.755) 6.682 5.376 ( 1.559 0.000 -2.653) 3.077 5.422 ( 1.296 0.000 -6.851) 6.973 5.536 ( -4.308 0.000 4.940) 6.555 5.612 ( 0.170 0.000 -3.094) 3.099 5.680 ( -0.560 0.000 3.404) 3.449 5.755 ( -3.153 0.000 -1.437) 3.465 5.876 ( -1.733 0.000 -5.350) 5.624 5.911 ( 0.346 0.000 -9.018) 9.025 5.986 ( 0.142 0.000 3.088) 3.091 6.034 ( -3.078 0.000 5.081) 5.940 6.067 ( 2.045 0.000 -2.210) 3.011 6.074 ( -1.340 0.000 -0.065) 1.341 6.105 ( 1.376 0.000 4.916) 5.105 6.176 ( -7.210 0.000 1.816) 7.436 6.235 ( 3.114 0.000 0.781) 3.210 6.297 ( -4.562 0.000 -3.599) 5.811 6.314 ( -5.919 0.000 6.840) 9.046 6.415 ( -2.553 0.000 2.327) 3.455 6.459 ( -6.239 0.000 -2.311) 6.653 6.499 ( 1.338 0.000 -0.464) 1.416 6.517 ( -0.751 0.000 4.501) 4.563 6.625 ( -1.637 0.000 1.720) 2.374 6.642 ( -0.437 0.000 1.065) 1.152 6.690 ( -1.785 0.000 -0.357) 1.821 6.762 ( -2.581 0.000 6.493) 6.987 6.869 ( 1.773 0.000 -3.250) 3.702 6.927 ( 3.171 0.000 -1.800) 3.646 6.999 ( 4.290 0.000 -4.633) 6.314 7.098 ( -0.454 0.000 -1.528) 1.594 7.199 ( -4.437 0.000 -11.816) 12.621 7.237 ( -3.619 0.000 6.858) 7.754 7.331 ( 0.807 0.000 1.971) 2.130 7.421 ( 3.030 0.000 1.718) 3.483 7.457 ( 0.536 0.000 3.585) 3.625 7.553 ( -4.066 0.000 1.313) 4.273 7.604 ( -2.398 0.000 6.113) 6.567 7.686 ( -4.341 0.000 -1.436) 4.573 7.719 ( 2.829 0.000 -3.216) 4.283 7.772 ( 5.330 0.000 -0.457) 5.350 7.823 ( -1.374 0.000 -4.084) 4.309 7.836 ( 4.977 0.000 -0.055) 4.977 7.914 ( -5.652 0.000 0.732) 5.699 7.998 ( 0.942 0.000 -2.126) 2.325 8.068 ( -6.399 0.000 -2.413) 6.839 8.123 ( -5.326 0.000 3.253) 6.241 8.151 ( -0.815 0.000 3.579) 3.671 8.257 ( -2.032 0.000 -4.789) 5.202 8.319 ( -8.001 0.000 -3.459) 8.717 8.352 ( -0.386 0.000 0.595) 0.709 8.388 ( -2.186 0.000 1.749) 2.800 8.527 ( 1.824 0.000 1.326) 2.256 8.568 ( 5.239 0.000 -2.973) 6.024 8.624 ( -2.633 0.000 0.988) 2.812 8.693 ( 0.640 0.000 2.152) 2.245 8.772 ( -0.927 0.000 -2.440) 2.610 8.797 ( -0.841 0.000 3.122) 3.233 8.879 ( -1.654 0.000 3.274) 3.668 8.962 ( 0.845 0.000 -5.318) 5.385 9.012 ( -0.582 0.000 -0.554) 0.803 9.035 ( 0.796 0.000 1.563) 1.754 9.106 ( 0.364 0.000 -0.546) 0.656 9.188 ( 1.217 0.000 -5.854) 5.979 9.263 ( -0.307 0.000 5.916) 5.924 9.320 ( 1.006 0.000 1.654) 1.936 9.435 ( 0.795 0.000 1.129) 1.380 9.505 ( -0.822 0.000 -1.945) 2.112 9.533 ( 3.940 0.000 2.229) 4.527 9.619 ( 1.963 0.000 -1.614) 2.541 9.740 ( 3.642 0.000 2.253) 4.283 9.795 ( 3.069 0.000 -2.166) 3.756 9.829 ( 0.804 0.000 -1.623) 1.812 9.842 ( 5.296 0.000 -4.303) 6.824 9.991 ( -2.278 0.000 1.071) 2.517 10.032 ( -5.035 0.000 -2.075) 5.446 10.254 ( 2.229 0.000 5.162) 5.622 10.328 ( 5.067 0.000 4.717) 6.923 10.380 ( 2.873 0.000 -3.427) 4.472 10.471 ( 0.453 0.000 -1.824) 1.879 10.533 ( -5.194 0.000 2.882) 5.940 10.666 ( -6.858 0.000 -7.531) 10.186 10.816 ( -10.449 0.000 8.326) 13.360 10.851 ( -3.570 0.000 3.687) 5.132 10.926 ( -3.711 0.000 -1.723) 4.092 11.019 ( -3.822 0.000 3.090) 4.915 11.048 ( -5.260 0.000 -4.341) 6.820 11.112 ( -1.689 0.000 0.859) 1.895 11.209 ( -1.746 0.000 4.453) 4.783 11.262 ( 0.689 0.000 3.123) 3.198 11.278 ( -0.376 0.000 1.866) 1.904 11.351 ( 1.950 0.000 -4.861) 5.237 11.402 ( 0.980 0.000 -0.524) 1.111 11.486 ( 0.308 0.000 -5.185) 5.195 11.567 ( 3.728 0.000 -1.414) 3.987 11.611 ( 5.522 0.000 -5.960) 8.125 11.716 ( -1.584 0.000 3.466) 3.811 11.780 ( -6.788 0.000 -2.639) 7.283 11.853 ( -6.703 0.000 2.392) 7.117 11.898 ( -4.279 0.000 -1.795) 4.640 12.006 ( 1.901 0.000 3.708) 4.167 12.140 ( 1.339 0.000 12.703) 12.773 12.160 ( -0.311 0.000 -9.466) 9.471 12.281 ( -5.581 0.000 8.179) 9.902 12.379 ( 6.549 0.000 -4.066) 7.708 12.523 ( 1.733 0.000 -6.730) 6.950 12.684 ( -1.242 0.000 1.458) 1.915 12.761 ( -0.634 0.000 -2.151) 2.242 12.911 ( -0.129 0.000 4.699) 4.700 13.037 ( 4.363 0.000 -7.024) 8.268 13.129 ( -0.760 0.000 1.928) 2.073 13.195 ( -4.548 0.000 -3.404) 5.681 13.385 ( -3.688 0.000 0.232) 3.695 13.452 ( -4.700 0.000 -5.894) 7.538 13.587 ( -2.888 0.000 4.124) 5.035 13.669 ( -1.485 0.000 -3.562) 3.859 13.744 ( 1.705 0.000 2.534) 3.054 13.807 ( -3.798 0.000 -3.067) 4.881 14.100 ( -3.227 0.000 9.067) 9.624 14.180 ( -7.141 0.000 1.512) 7.300 14.440 ( -4.394 0.000 -0.478) 4.420 14.543 ( -8.446 0.000 -7.579) 11.347 14.598 ( -11.854 0.000 12.545) 17.260 14.804 ( -13.346 0.000 2.375) 13.556 14.825 ( -9.654 0.000 -1.787) 9.818 14.979 ( -12.104 0.000 -7.379) 14.176 15.176 ( -5.354 0.000 7.192) 8.967 15.275 ( -1.912 0.000 0.722) 2.044 15.387 ( 0.363 0.000 -1.939) 1.972 15.403 ( 4.289 0.000 -3.397) 5.471 15.521 ( -3.518 0.000 0.107) 3.520 15.559 ( 0.220 0.000 -3.739) 3.745 15.686 ( 3.405 0.000 2.866) 4.451 15.746 ( -1.372 0.000 -0.299) 1.405 15.773 ( 1.580 0.000 2.142) 2.662 15.801 ( 8.822 0.000 -3.109) 9.354 16.280 ( 4.681 0.000 3.799) 6.028 16.321 ( 8.298 0.000 1.965) 8.528 16.447 ( 15.729 0.000 0.257) 15.731 16.505 ( 11.722 0.000 -5.183) 12.817 16.752 ( -2.710 0.000 0.464) 2.750 16.796 ( -4.858 0.000 -3.275) 5.858 16.958 ( 8.224 0.000 2.977) 8.746 17.026 ( 7.863 0.000 -2.168) 8.156 17.652 ( -1.909 0.000 11.199) 11.361 17.869 ( -5.388 0.000 -7.742) 9.432 18.305 ( -8.529 0.000 13.484) 15.955 18.480 ( -5.968 0.000 -3.527) 6.932 18.651 ( 0.389 0.000 8.794) 8.803 18.961 ( -3.839 0.000 -19.210) 19.590 19.271 ( -13.082 0.000 5.904) 14.353 19.318 ( -11.382 0.000 -0.405) 11.389 19.469 ( -1.976 0.000 3.630) 4.133 19.490 ( 1.401 0.000 -0.264) 1.426 19.520 ( 2.688 0.000 5.143) 5.803 19.744 ( -1.347 0.000 -11.238) 11.319 20.079 ( -4.532 0.000 16.400) 17.015 20.282 ( 5.455 0.000 5.704) 7.893 20.585 ( -6.536 0.000 -2.230) 6.906 20.866 ( 10.135 0.000 -22.864) 25.009 21.803 ( 0.672 0.000 0.946) 1.161 21.839 ( 0.928 0.000 -2.833) 2.981 21.969 ( 4.355 0.000 1.924) 4.761 22.009 ( 6.635 0.000 -1.552) 6.815 22.414 ( 1.712 0.000 5.148) 5.425 22.520 ( -1.833 0.000 -2.173) 2.843 22.801 ( -3.316 0.000 8.703) 9.313 22.920 ( -1.384 0.000 0.381) 1.435 23.007 ( -0.391 0.000 -1.659) 1.704 23.021 ( -1.472 0.000 -1.125) 1.853 23.474 ( 11.309 0.000 6.865) 13.229 23.692 ( 13.267 0.000 -14.265) 19.480 25.591 ( 1.644 0.000 1.603) 2.297 25.627 ( 1.538 0.000 -1.070) 1.874 25.899 ( -2.846 0.000 2.040) 3.502 25.939 ( -2.376 0.000 -1.460) 2.789 26.458 ( 0.435 0.000 1.585) 1.644 26.498 ( 0.524 0.000 -1.829) 1.902 27.085 ( -1.805 0.000 0.723) 1.944 27.113 ( -3.212 0.000 -1.131) 3.406 ======================= Grid point 47 (18/30) ======================= q-point: ( 0.22 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-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 2.98e-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 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 42 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.831 ( 32.746 0.000 16.302) 36.580 1.870 ( 40.260 0.000 9.203) 41.298 2.259 ( 19.276 0.000 -25.019) 31.583 2.288 ( 21.701 0.000 -22.744) 31.436 2.763 ( 4.464 0.000 2.679) 5.206 2.809 ( 0.689 0.000 -1.448) 1.603 3.035 ( 12.232 0.000 11.076) 16.501 3.101 ( 5.521 0.000 5.170) 7.564 3.438 ( 19.212 0.000 15.652) 24.780 3.466 ( 7.597 0.000 19.005) 20.467 3.661 ( -0.526 0.000 -0.100) 0.535 3.710 ( 4.817 0.000 -2.267) 5.324 3.795 ( 4.505 0.000 1.938) 4.904 3.868 ( 4.557 0.000 -4.825) 6.637 3.954 ( 2.503 0.000 -1.033) 2.708 3.994 ( -0.191 0.000 -9.787) 9.789 4.030 ( 10.582 0.000 2.742) 10.932 4.118 ( 4.282 0.000 -5.312) 6.823 4.188 ( 8.596 0.000 -0.758) 8.630 4.314 ( 8.362 0.000 -8.038) 11.599 4.373 ( 10.819 0.000 3.347) 11.325 4.468 ( 2.889 0.000 -1.579) 3.292 4.498 ( 22.392 0.000 1.325) 22.431 4.591 ( 22.220 0.000 -3.818) 22.545 4.684 ( -0.627 0.000 3.697) 3.750 4.741 ( -3.818 0.000 -0.018) 3.818 4.809 ( -4.774 0.000 3.115) 5.701 4.893 ( 3.526 0.000 -4.083) 5.395 4.914 ( 3.689 0.000 -1.157) 3.866 4.965 ( -0.820 0.000 -5.595) 5.655 5.039 ( -0.236 0.000 8.420) 8.423 5.121 ( 3.426 0.000 5.768) 6.709 5.157 ( -2.196 0.000 1.239) 2.521 5.213 ( 0.206 0.000 1.307) 1.323 5.283 ( 2.679 0.000 -8.043) 8.478 5.316 ( 0.604 0.000 -3.567) 3.618 5.375 ( 4.395 0.000 -0.908) 4.488 5.409 ( 1.806 0.000 6.590) 6.833 5.496 ( 2.400 0.000 -3.626) 4.348 5.537 ( 12.276 0.000 -2.703) 12.570 5.555 ( 7.135 0.000 -0.259) 7.139 5.586 ( -4.318 0.000 -0.922) 4.416 5.634 ( 2.240 0.000 -5.486) 5.926 5.706 ( -0.408 0.000 5.297) 5.312 5.776 ( -8.821 0.000 -3.435) 9.467 5.878 ( -3.321 0.000 -4.356) 5.478 5.982 ( -1.468 0.000 1.327) 1.979 5.995 ( -1.088 0.000 2.068) 2.336 6.021 ( -3.829 0.000 -1.442) 4.091 6.053 ( -5.705 0.000 -0.808) 5.762 6.123 ( 2.330 0.000 4.560) 5.121 6.153 ( 5.632 0.000 1.926) 5.952 6.224 ( 1.758 0.000 2.592) 3.132 6.263 ( 0.667 0.000 -0.706) 0.971 6.300 ( 0.268 0.000 -0.027) 0.270 6.332 ( -0.937 0.000 -1.601) 1.855 6.376 ( -2.130 0.000 1.113) 2.403 6.520 ( 2.211 0.000 -1.850) 2.883 6.551 ( 0.382 0.000 1.988) 2.024 6.570 ( -3.401 0.000 1.033) 3.555 6.645 ( 1.542 0.000 1.511) 2.159 6.682 ( 4.864 0.000 -1.151) 4.998 6.782 ( 0.978 0.000 0.741) 1.227 6.865 ( 0.087 0.000 -4.798) 4.798 6.970 ( -0.371 0.000 -0.738) 0.826 7.037 ( -3.837 0.000 2.145) 4.396 7.069 ( 1.497 0.000 -5.919) 6.105 7.104 ( -1.979 0.000 -2.818) 3.444 7.216 ( -4.827 0.000 1.578) 5.078 7.311 ( -3.794 0.000 -3.188) 4.956 7.417 ( -3.351 0.000 6.494) 7.308 7.446 ( -4.612 0.000 4.017) 6.116 7.495 ( -7.776 0.000 4.528) 8.998 7.513 ( 5.529 0.000 2.984) 6.282 7.619 ( 1.367 0.000 0.300) 1.399 7.708 ( -4.752 0.000 -0.792) 4.818 7.745 ( -4.952 0.000 -6.221) 7.952 7.838 ( -1.802 0.000 -5.764) 6.039 7.872 ( 0.288 0.000 -3.830) 3.841 7.930 ( 0.685 0.000 -2.049) 2.160 7.947 ( 0.350 0.000 -0.637) 0.727 8.019 ( 3.404 0.000 -0.634) 3.463 8.074 ( -4.479 0.000 4.652) 6.457 8.124 ( -2.781 0.000 1.150) 3.009 8.185 ( -3.160 0.000 -3.343) 4.600 8.235 ( 2.310 0.000 0.400) 2.345 8.357 ( -0.373 0.000 0.630) 0.732 8.394 ( 1.347 0.000 2.560) 2.892 8.518 ( -7.855 0.000 -2.961) 8.394 8.576 ( -1.324 0.000 -1.882) 2.301 8.624 ( 4.948 0.000 1.366) 5.133 8.702 ( 6.960 0.000 3.942) 7.998 8.776 ( 5.768 0.000 -0.288) 5.776 8.818 ( -4.326 0.000 0.227) 4.332 8.862 ( -1.772 0.000 1.471) 2.303 8.918 ( -3.040 0.000 2.600) 4.000 9.005 ( -2.060 0.000 1.819) 2.749 9.088 ( 3.037 0.000 -0.659) 3.107 9.146 ( 2.679 0.000 -1.509) 3.075 9.187 ( 2.582 0.000 -1.500) 2.986 9.284 ( 2.394 0.000 6.440) 6.870 9.385 ( 0.606 0.000 2.976) 3.037 9.462 ( 1.482 0.000 -1.459) 2.080 9.475 ( -1.546 0.000 -4.831) 5.072 9.528 ( -2.598 0.000 1.581) 3.041 9.647 ( 6.229 0.000 -3.852) 7.323 9.776 ( -1.650 0.000 -1.176) 2.026 9.804 ( 2.090 0.000 -2.646) 3.372 9.884 ( 1.093 0.000 6.220) 6.316 9.944 ( 0.694 0.000 -1.415) 1.576 9.970 ( 1.629 0.000 2.080) 2.642 10.105 ( 3.138 0.000 -0.545) 3.185 10.195 ( -6.377 0.000 -0.020) 6.377 10.260 ( -4.369 0.000 1.195) 4.530 10.380 ( -0.467 0.000 1.943) 1.998 10.491 ( 3.502 0.000 4.859) 5.989 10.510 ( 2.147 0.000 -5.135) 5.566 10.629 ( -1.450 0.000 -2.937) 3.276 10.684 ( -2.293 0.000 8.392) 8.699 10.763 ( -3.498 0.000 0.079) 3.499 10.857 ( -1.988 0.000 -1.363) 2.410 10.936 ( -3.078 0.000 8.131) 8.694 10.994 ( -3.119 0.000 -13.609) 13.962 11.096 ( -0.927 0.000 0.272) 0.966 11.173 ( -1.336 0.000 -1.681) 2.147 11.195 ( -6.416 0.000 -6.830) 9.371 11.253 ( -1.856 0.000 5.078) 5.406 11.345 ( -5.983 0.000 1.700) 6.220 11.404 ( -0.309 0.000 0.222) 0.381 11.529 ( 0.358 0.000 -2.658) 2.682 11.614 ( -2.907 0.000 3.158) 4.292 11.629 ( -0.895 0.000 0.731) 1.156 11.655 ( -8.149 0.000 -0.390) 8.158 11.704 ( -2.874 0.000 -3.172) 4.280 11.750 ( -0.831 0.000 -2.769) 2.891 11.789 ( -2.756 0.000 0.340) 2.777 11.902 ( -10.495 0.000 2.641) 10.822 12.028 ( -11.439 0.000 -7.218) 13.526 12.134 ( -5.699 0.000 5.813) 8.140 12.194 ( -1.434 0.000 4.688) 4.902 12.363 ( -7.575 0.000 2.960) 8.133 12.506 ( -7.183 0.000 -2.661) 7.661 12.691 ( 1.627 0.000 2.917) 3.340 12.801 ( 2.677 0.000 -4.994) 5.666 12.896 ( -1.578 0.000 2.643) 3.078 12.990 ( -7.237 0.000 -4.373) 8.456 13.124 ( -1.758 0.000 1.822) 2.532 13.147 ( -0.641 0.000 0.043) 0.643 13.245 ( -12.500 0.000 1.862) 12.638 13.315 ( -8.331 0.000 -5.526) 9.997 13.460 ( -6.986 0.000 1.730) 7.197 13.559 ( -2.742 0.000 -7.302) 7.800 13.764 ( -1.548 0.000 4.521) 4.779 13.858 ( 4.167 0.000 -3.503) 5.443 13.988 ( -6.858 0.000 6.564) 9.493 14.069 ( -3.985 0.000 0.666) 4.040 14.282 ( -10.225 0.000 10.316) 14.525 14.359 ( -4.472 0.000 0.203) 4.477 14.438 ( -4.081 0.000 -1.044) 4.213 14.626 ( -4.233 0.000 -0.503) 4.263 14.663 ( -5.870 0.000 -4.178) 7.205 14.770 ( -7.184 0.000 -4.348) 8.397 15.177 ( 0.975 0.000 0.373) 1.044 15.250 ( 0.135 0.000 -4.712) 4.714 15.395 ( 0.559 0.000 2.605) 2.665 15.437 ( 2.503 0.000 -1.375) 2.856 15.589 ( 7.420 0.000 1.188) 7.514 15.644 ( 6.085 0.000 -1.301) 6.222 15.755 ( 3.906 0.000 2.072) 4.422 15.790 ( 4.749 0.000 -0.892) 4.832 15.893 ( 9.262 0.000 6.072) 11.075 16.006 ( 10.252 0.000 -4.202) 11.079 16.293 ( -0.420 0.000 3.480) 3.505 16.410 ( 0.412 0.000 -5.803) 5.818 16.605 ( -1.684 0.000 0.690) 1.820 16.661 ( -0.518 0.000 -2.814) 2.861 16.744 ( 5.090 0.000 3.219) 6.022 16.807 ( 9.626 0.000 -2.470) 9.937 17.104 ( 5.896 0.000 3.729) 6.976 17.156 ( 5.280 0.000 0.040) 5.280 17.598 ( -3.443 0.000 7.070) 7.864 17.761 ( -5.519 0.000 -7.495) 9.307 18.172 ( -5.734 0.000 11.705) 13.034 18.353 ( -6.864 0.000 -4.848) 8.403 18.653 ( -0.152 0.000 6.058) 6.060 18.853 ( -6.478 0.000 -11.708) 13.381 19.025 ( -12.281 0.000 2.861) 12.610 19.094 ( -10.195 0.000 -2.867) 10.590 19.460 ( -0.893 0.000 2.910) 3.044 19.512 ( 0.221 0.000 -0.838) 0.866 19.600 ( 3.499 0.000 5.455) 6.480 19.792 ( 2.746 0.000 -7.018) 7.536 19.983 ( -2.400 0.000 6.511) 6.939 20.182 ( -11.230 0.000 -7.982) 13.777 20.530 ( -0.239 0.000 16.211) 16.213 20.875 ( -6.094 0.000 -14.856) 16.057 21.833 ( 2.334 0.000 1.018) 2.546 21.877 ( 2.509 0.000 -3.189) 4.058 22.047 ( 3.353 0.000 2.003) 3.906 22.109 ( 3.292 0.000 -2.882) 4.375 22.454 ( 2.009 0.000 4.294) 4.741 22.490 ( -0.566 0.000 2.795) 2.852 22.815 ( 3.604 0.000 -0.396) 3.625 22.889 ( -0.396 0.000 -5.311) 5.326 23.056 ( 5.616 0.000 3.894) 6.833 23.104 ( 5.118 0.000 -0.251) 5.125 23.657 ( 7.870 0.000 6.711) 10.343 23.837 ( 3.967 0.000 -8.973) 9.811 25.635 ( 2.756 0.000 1.053) 2.950 25.662 ( 2.083 0.000 -0.758) 2.217 25.858 ( -1.498 0.000 1.163) 1.896 25.890 ( -2.517 0.000 -1.326) 2.845 26.467 ( 0.500 0.000 1.761) 1.830 26.508 ( 0.479 0.000 -1.714) 1.780 27.021 ( -4.528 0.000 0.228) 4.533 27.030 ( -5.113 0.000 -0.298) 5.122 ======================= Grid point 48 (19/30) ======================= q-point: ( 0.33 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-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 2.98e-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 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 42 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.359 ( 17.059 0.000 6.828) 18.375 2.491 ( 16.480 0.000 -1.069) 16.515 2.607 ( 17.467 0.000 -5.684) 18.368 2.694 ( 17.049 0.000 -9.179) 19.363 2.904 ( 16.615 0.000 4.396) 17.186 2.995 ( 21.094 0.000 -2.035) 21.192 3.166 ( 5.438 0.000 2.799) 6.116 3.226 ( 6.437 0.000 -0.674) 6.473 3.518 ( 5.960 0.000 7.925) 9.917 3.641 ( -0.154 0.000 -2.696) 2.700 3.751 ( 1.728 0.000 1.956) 2.610 3.807 ( 5.102 0.000 -2.739) 5.791 3.822 ( -2.239 0.000 3.641) 4.274 3.899 ( -2.536 0.000 -2.585) 3.621 4.005 ( 6.594 0.000 2.900) 7.204 4.116 ( 8.213 0.000 -3.720) 9.016 4.134 ( 2.904 0.000 3.504) 4.551 4.209 ( 2.195 0.000 -0.077) 2.196 4.328 ( 1.600 0.000 4.219) 4.512 4.383 ( 1.410 0.000 4.610) 4.821 4.465 ( 3.195 0.000 -1.265) 3.436 4.574 ( -1.210 0.000 -7.762) 7.855 4.624 ( -0.252 0.000 1.073) 1.102 4.657 ( 1.270 0.000 -1.495) 1.962 4.737 ( 2.364 0.000 1.055) 2.589 4.776 ( -2.921 0.000 -3.187) 4.323 4.885 ( 6.759 0.000 3.998) 7.853 4.936 ( 0.263 0.000 2.542) 2.556 4.981 ( 11.307 0.000 -4.269) 12.086 5.001 ( 0.985 0.000 -4.309) 4.420 5.078 ( 1.570 0.000 4.386) 4.659 5.120 ( 0.170 0.000 0.744) 0.763 5.206 ( 0.343 0.000 3.555) 3.572 5.256 ( 3.410 0.000 5.610) 6.565 5.285 ( 1.190 0.000 0.519) 1.298 5.312 ( -1.938 0.000 -4.967) 5.331 5.370 ( -9.966 0.000 4.813) 11.067 5.418 ( -0.232 0.000 -3.511) 3.519 5.492 ( -1.142 0.000 -1.297) 1.728 5.549 ( 1.117 0.000 -2.325) 2.580 5.581 ( 2.581 0.000 1.580) 3.026 5.676 ( 4.375 0.000 0.554) 4.410 5.699 ( -0.325 0.000 2.334) 2.357 5.755 ( 4.535 0.000 0.736) 4.594 5.843 ( 0.114 0.000 -4.776) 4.777 5.885 ( 13.207 0.000 -4.873) 14.078 5.925 ( 1.476 0.000 -1.493) 2.099 5.952 ( -0.528 0.000 5.015) 5.042 5.965 ( -1.876 0.000 -3.319) 3.812 6.060 ( 3.815 0.000 -3.040) 4.878 6.176 ( 0.008 0.000 2.066) 2.066 6.235 ( 0.979 0.000 -2.487) 2.672 6.266 ( -1.160 0.000 -0.819) 1.420 6.277 ( 3.037 0.000 1.125) 3.238 6.305 ( 0.077 0.000 -1.063) 1.066 6.357 ( 1.757 0.000 -3.343) 3.777 6.417 ( 6.408 0.000 7.677) 10.000 6.534 ( 1.609 0.000 -1.221) 2.020 6.544 ( 0.072 0.000 0.918) 0.921 6.586 ( 2.797 0.000 -3.301) 4.326 6.726 ( 0.745 0.000 3.736) 3.809 6.753 ( -0.837 0.000 -1.364) 1.601 6.789 ( 4.378 0.000 0.381) 4.395 6.861 ( -1.245 0.000 -5.811) 5.943 6.946 ( -4.069 0.000 2.878) 4.984 6.994 ( 3.500 0.000 3.471) 4.929 7.043 ( -4.882 0.000 -0.003) 4.882 7.109 ( 2.955 0.000 2.333) 3.765 7.124 ( 0.276 0.000 -3.030) 3.043 7.228 ( -3.702 0.000 0.431) 3.727 7.296 ( -6.827 0.000 -0.248) 6.831 7.381 ( 1.730 0.000 5.840) 6.091 7.424 ( -11.898 0.000 -8.089) 14.388 7.510 ( 3.519 0.000 0.711) 3.590 7.658 ( 0.671 0.000 -0.956) 1.168 7.686 ( -8.927 0.000 -8.355) 12.227 7.709 ( 9.150 0.000 4.590) 10.237 7.816 ( 0.984 0.000 -0.522) 1.114 7.867 ( 0.829 0.000 -0.621) 1.036 7.894 ( -3.917 0.000 1.994) 4.396 7.965 ( -0.805 0.000 3.805) 3.889 8.029 ( -1.316 0.000 4.545) 4.732 8.046 ( 0.915 0.000 -5.780) 5.852 8.142 ( -3.561 0.000 -3.232) 4.809 8.181 ( 9.669 0.000 2.975) 10.116 8.254 ( -5.317 0.000 -1.019) 5.414 8.321 ( 0.443 0.000 -4.836) 4.856 8.436 ( 9.063 0.000 3.856) 9.849 8.481 ( -2.786 0.000 -9.397) 9.801 8.547 ( 2.122 0.000 -3.268) 3.896 8.656 ( -7.259 0.000 4.414) 8.496 8.755 ( 0.391 0.000 5.060) 5.075 8.785 ( 2.349 0.000 -2.289) 3.280 8.858 ( 4.693 0.000 4.706) 6.646 8.896 ( 4.317 0.000 -3.238) 5.397 8.942 ( 1.967 0.000 1.344) 2.383 8.985 ( 3.882 0.000 4.977) 6.312 9.124 ( 2.842 0.000 0.248) 2.853 9.177 ( -0.263 0.000 3.218) 3.229 9.275 ( 6.896 0.000 0.406) 6.908 9.321 ( 1.131 0.000 3.027) 3.232 9.398 ( 3.007 0.000 -2.783) 4.098 9.448 ( 0.120 0.000 1.259) 1.265 9.461 ( 2.881 0.000 -0.980) 3.043 9.649 ( 8.390 0.000 6.626) 10.691 9.678 ( -4.588 0.000 0.887) 4.673 9.745 ( -3.001 0.000 2.365) 3.822 9.780 ( 1.406 0.000 0.599) 1.528 9.901 ( 0.869 0.000 -7.320) 7.371 9.923 ( 0.418 0.000 -6.740) 6.753 10.048 ( 1.270 0.000 4.802) 4.967 10.059 ( 3.352 0.000 -0.938) 3.481 10.164 ( 0.630 0.000 -0.974) 1.160 10.295 ( -0.960 0.000 -7.314) 7.377 10.356 ( -3.352 0.000 3.932) 5.167 10.490 ( -5.815 0.000 -2.321) 6.261 10.521 ( 0.292 0.000 -0.893) 0.939 10.592 ( -3.905 0.000 0.719) 3.971 10.675 ( -2.139 0.000 6.814) 7.142 10.706 ( -2.749 0.000 1.897) 3.340 10.814 ( -1.886 0.000 0.756) 2.032 10.877 ( -3.437 0.000 -3.985) 5.262 10.941 ( -4.044 0.000 -4.082) 5.746 11.047 ( -5.371 0.000 -3.885) 6.629 11.069 ( -1.101 0.000 5.136) 5.253 11.163 ( -2.896 0.000 3.695) 4.694 11.226 ( 1.749 0.000 -6.147) 6.391 11.241 ( -2.940 0.000 5.776) 6.481 11.299 ( -9.762 0.000 2.699) 10.129 11.413 ( -12.795 0.000 -4.248) 13.482 11.461 ( -9.715 0.000 2.219) 9.966 11.489 ( -4.716 0.000 2.206) 5.206 11.558 ( -9.589 0.000 0.320) 9.594 11.608 ( -12.484 0.000 -0.122) 12.484 11.712 ( 0.903 0.000 4.753) 4.838 11.744 ( -2.430 0.000 2.033) 3.168 11.819 ( 1.552 0.000 -6.165) 6.358 11.879 ( 0.114 0.000 -6.110) 6.111 11.985 ( -9.815 0.000 2.416) 10.108 12.115 ( -8.093 0.000 -3.085) 8.662 12.190 ( -10.180 0.000 2.791) 10.556 12.269 ( -11.868 0.000 -7.295) 13.931 12.671 ( -6.199 0.000 2.848) 6.822 12.731 ( -7.243 0.000 -2.500) 7.662 12.857 ( -0.959 0.000 3.436) 3.568 12.920 ( -9.139 0.000 4.861) 10.351 12.952 ( -2.092 0.000 -3.184) 3.810 13.008 ( -8.693 0.000 2.672) 9.094 13.170 ( 0.975 0.000 1.007) 1.402 13.282 ( 2.773 0.000 -6.752) 7.299 13.391 ( -3.096 0.000 0.468) 3.131 13.486 ( -4.538 0.000 -6.341) 7.797 13.700 ( -1.478 0.000 9.264) 9.382 13.884 ( -1.521 0.000 10.590) 10.699 13.962 ( 1.616 0.000 -11.589) 11.701 14.023 ( -0.825 0.000 -1.270) 1.515 14.207 ( 3.623 0.000 12.183) 12.710 14.355 ( 2.282 0.000 -1.592) 2.783 14.409 ( 0.232 0.000 1.560) 1.577 14.594 ( -1.761 0.000 3.396) 3.825 14.634 ( 2.228 0.000 -12.042) 12.247 14.683 ( -2.198 0.000 -3.540) 4.167 15.138 ( -3.148 0.000 1.420) 3.454 15.253 ( -1.486 0.000 -8.936) 9.058 15.463 ( 6.689 0.000 7.308) 9.907 15.533 ( 6.238 0.000 -0.673) 6.274 15.686 ( 2.378 0.000 4.746) 5.308 15.734 ( 2.433 0.000 0.451) 2.475 15.866 ( 7.577 0.000 0.907) 7.631 15.920 ( 7.818 0.000 -2.861) 8.325 16.065 ( 8.253 0.000 6.015) 10.213 16.156 ( 4.808 0.000 -2.010) 5.211 16.277 ( -1.837 0.000 0.686) 1.961 16.394 ( -0.512 0.000 -9.227) 9.241 16.529 ( -4.694 0.000 2.821) 5.477 16.587 ( -4.344 0.000 -2.074) 4.813 16.880 ( 6.139 0.000 4.746) 7.760 16.969 ( 5.942 0.000 -3.566) 6.930 17.169 ( 1.420 0.000 4.025) 4.268 17.235 ( 2.781 0.000 -0.845) 2.906 17.533 ( -2.744 0.000 4.063) 4.903 17.664 ( -4.529 0.000 -7.165) 8.476 18.082 ( -3.356 0.000 8.255) 8.911 18.224 ( -6.450 0.000 -4.548) 7.892 18.641 ( -1.277 0.000 3.498) 3.724 18.746 ( -4.041 0.000 -6.011) 7.244 18.815 ( -9.061 0.000 4.309) 10.034 18.922 ( -7.919 0.000 -4.639) 9.178 19.426 ( -2.365 0.000 4.747) 5.303 19.475 ( -3.666 0.000 3.893) 5.347 19.631 ( 0.691 0.000 -0.190) 0.716 19.795 ( -3.635 0.000 -9.047) 9.750 19.978 ( 1.521 0.000 3.149) 3.497 20.073 ( 1.083 0.000 -4.246) 4.381 20.512 ( -1.362 0.000 11.338) 11.420 20.722 ( -8.543 0.000 -7.608) 11.440 21.883 ( 2.567 0.000 1.347) 2.899 21.920 ( 1.770 0.000 -1.715) 2.465 22.097 ( 2.014 0.000 0.504) 2.077 22.144 ( 0.772 0.000 -3.062) 3.158 22.483 ( 1.044 0.000 3.499) 3.652 22.493 ( 0.478 0.000 2.616) 2.659 22.892 ( 3.734 0.000 -3.449) 5.083 22.914 ( 2.201 0.000 -5.066) 5.524 23.160 ( 4.688 0.000 4.351) 6.396 23.191 ( 3.668 0.000 1.769) 4.072 23.782 ( 5.264 0.000 3.760) 6.469 23.885 ( 1.370 0.000 -4.925) 5.112 25.688 ( 2.621 0.000 0.658) 2.702 25.706 ( 2.453 0.000 -0.753) 2.565 25.835 ( -1.086 0.000 0.316) 1.132 25.846 ( -1.989 0.000 -0.381) 2.025 26.479 ( 0.910 0.000 1.622) 1.860 26.516 ( 0.392 0.000 -1.550) 1.599 26.928 ( -4.806 0.000 0.107) 4.807 26.930 ( -4.827 0.000 -0.040) 4.827 ======================= Grid point 49 (20/30) ======================= q-point: ( 0.44 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-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 2.98e-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 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 42 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.502 ( 2.891 0.000 1.704) 3.356 2.546 ( -1.770 0.000 -2.047) 2.706 2.934 ( 9.583 0.000 -1.674) 9.729 2.953 ( 7.468 0.000 -3.596) 8.288 3.189 ( 6.952 0.000 2.991) 7.568 3.240 ( 0.807 0.000 -2.247) 2.388 3.357 ( 19.026 0.000 8.289) 20.753 3.476 ( 11.564 0.000 -0.918) 11.600 3.652 ( 5.564 0.000 2.270) 6.009 3.665 ( 1.458 0.000 0.610) 1.581 3.756 ( -1.950 0.000 2.777) 3.393 3.782 ( -0.372 0.000 1.323) 1.374 3.818 ( -1.748 0.000 -1.396) 2.237 3.843 ( -0.006 0.000 -5.467) 5.467 4.012 ( -5.560 0.000 3.870) 6.774 4.083 ( -10.127 0.000 1.401) 10.223 4.170 ( 4.213 0.000 5.896) 7.247 4.275 ( -5.708 0.000 5.913) 8.219 4.344 ( 9.316 0.000 1.998) 9.528 4.403 ( 5.186 0.000 -7.426) 9.058 4.452 ( -0.965 0.000 -2.086) 2.298 4.520 ( -6.249 0.000 -7.950) 10.112 4.633 ( 3.697 0.000 0.326) 3.711 4.720 ( -0.692 0.000 -5.791) 5.832 4.778 ( 2.339 0.000 0.792) 2.469 4.808 ( -0.582 0.000 -1.123) 1.265 4.902 ( -0.700 0.000 2.197) 2.306 4.923 ( -2.334 0.000 0.630) 2.418 5.015 ( 3.389 0.000 1.639) 3.764 5.065 ( 0.367 0.000 -1.211) 1.266 5.106 ( -1.511 0.000 2.298) 2.750 5.166 ( 0.531 0.000 2.248) 2.310 5.175 ( -3.045 0.000 -5.155) 5.987 5.218 ( -2.034 0.000 -3.076) 3.688 5.269 ( -1.403 0.000 2.709) 3.050 5.294 ( -3.097 0.000 1.981) 3.676 5.329 ( 7.811 0.000 2.906) 8.334 5.419 ( 5.175 0.000 -5.364) 7.454 5.509 ( 0.561 0.000 -1.948) 2.027 5.530 ( -2.874 0.000 -3.033) 4.178 5.613 ( -0.438 0.000 1.636) 1.694 5.653 ( -2.689 0.000 0.233) 2.699 5.713 ( 0.543 0.000 2.868) 2.919 5.812 ( -4.254 0.000 -5.621) 7.049 5.912 ( 6.062 0.000 3.016) 6.771 5.968 ( 3.226 0.000 3.423) 4.704 5.987 ( 5.342 0.000 1.826) 5.645 6.014 ( 6.091 0.000 7.122) 9.371 6.048 ( 2.653 0.000 -2.111) 3.391 6.112 ( -4.695 0.000 4.949) 6.821 6.164 ( 2.855 0.000 -5.246) 5.972 6.200 ( -0.356 0.000 -1.846) 1.880 6.227 ( -5.133 0.000 0.037) 5.133 6.283 ( -5.146 0.000 -4.224) 6.658 6.316 ( 0.040 0.000 -2.936) 2.936 6.332 ( 0.748 0.000 -3.287) 3.371 6.496 ( 0.780 0.000 7.333) 7.375 6.544 ( 1.317 0.000 3.828) 4.048 6.608 ( 3.206 0.000 -1.131) 3.400 6.638 ( -0.823 0.000 -2.792) 2.911 6.746 ( 3.764 0.000 0.418) 3.787 6.781 ( 4.148 0.000 -2.651) 4.922 6.811 ( 3.699 0.000 4.677) 5.963 6.855 ( -0.567 0.000 -2.276) 2.346 6.880 ( -2.957 0.000 1.615) 3.369 6.938 ( -5.429 0.000 -1.339) 5.591 7.074 ( 0.436 0.000 -1.587) 1.646 7.122 ( -4.582 0.000 -3.869) 5.997 7.190 ( 0.012 0.000 -1.596) 1.596 7.202 ( 3.318 0.000 -1.993) 3.870 7.229 ( 4.361 0.000 3.311) 5.476 7.313 ( -1.022 0.000 -5.493) 5.588 7.418 ( -0.670 0.000 5.821) 5.860 7.532 ( -3.645 0.000 -0.682) 3.708 7.589 ( 2.744 0.000 4.100) 4.934 7.606 ( -2.790 0.000 1.465) 3.152 7.771 ( 0.893 0.000 8.603) 8.649 7.813 ( -7.442 0.000 1.023) 7.512 7.884 ( -0.766 0.000 -3.962) 4.036 7.944 ( 2.921 0.000 -3.012) 4.196 7.963 ( 8.641 0.000 -3.024) 9.155 8.003 ( 1.498 0.000 -1.566) 2.167 8.075 ( -3.059 0.000 0.826) 3.168 8.114 ( 8.270 0.000 1.544) 8.413 8.171 ( -7.296 0.000 -2.096) 7.591 8.255 ( -1.671 0.000 -7.601) 7.783 8.323 ( 3.076 0.000 0.051) 3.077 8.418 ( -7.524 0.000 -5.041) 9.056 8.549 ( 2.553 0.000 3.702) 4.497 8.636 ( 1.046 0.000 1.523) 1.847 8.658 ( 7.761 0.000 2.321) 8.101 8.730 ( 5.084 0.000 0.275) 5.092 8.817 ( -4.960 0.000 3.100) 5.849 8.826 ( -5.516 0.000 -0.699) 5.560 8.972 ( 2.959 0.000 6.947) 7.551 9.038 ( -5.125 0.000 4.189) 6.619 9.073 ( 11.329 0.000 1.859) 11.481 9.132 ( 5.163 0.000 -1.417) 5.354 9.298 ( 7.480 0.000 2.382) 7.850 9.343 ( 0.746 0.000 4.146) 4.213 9.379 ( -0.473 0.000 -1.099) 1.196 9.487 ( 2.508 0.000 1.796) 3.085 9.516 ( 8.160 0.000 -6.329) 10.327 9.563 ( -0.080 0.000 3.732) 3.733 9.645 ( 13.528 0.000 -1.304) 13.590 9.711 ( -1.157 0.000 -7.502) 7.591 9.776 ( 2.981 0.000 -3.841) 4.862 9.833 ( 1.337 0.000 4.043) 4.258 9.909 ( 1.711 0.000 -5.139) 5.416 9.949 ( -3.614 0.000 -4.228) 5.562 10.012 ( -3.461 0.000 -1.564) 3.798 10.077 ( -7.303 0.000 -5.016) 8.860 10.164 ( -1.425 0.000 1.120) 1.813 10.209 ( -2.077 0.000 -2.389) 3.166 10.271 ( -0.781 0.000 -0.628) 1.002 10.306 ( -5.662 0.000 -3.292) 6.549 10.479 ( -4.895 0.000 5.624) 7.456 10.576 ( -6.544 0.000 4.803) 8.117 10.597 ( 4.443 0.000 -1.466) 4.678 10.697 ( -0.862 0.000 3.859) 3.954 10.727 ( -6.270 0.000 -7.091) 9.465 10.771 ( -4.031 0.000 -2.286) 4.634 10.891 ( -0.387 0.000 5.739) 5.752 10.970 ( -3.781 0.000 -1.617) 4.112 11.010 ( -5.056 0.000 9.377) 10.653 11.122 ( -4.316 0.000 4.665) 6.355 11.159 ( -0.397 0.000 3.514) 3.536 11.172 ( -3.668 0.000 -1.258) 3.878 11.235 ( -4.414 0.000 3.405) 5.575 11.250 ( -1.805 0.000 -1.526) 2.364 11.341 ( -3.818 0.000 8.033) 8.894 11.355 ( -3.161 0.000 -1.384) 3.451 11.424 ( 3.428 0.000 -5.935) 6.854 11.536 ( -1.268 0.000 -0.528) 1.374 11.698 ( -2.013 0.000 0.773) 2.156 11.721 ( -3.632 0.000 -0.814) 3.722 11.776 ( -0.039 0.000 5.318) 5.318 11.892 ( -3.806 0.000 1.011) 3.938 11.913 ( 2.831 0.000 -0.707) 2.918 11.966 ( -3.701 0.000 -3.309) 4.965 12.017 ( -2.439 0.000 -7.570) 7.953 12.096 ( -9.171 0.000 -7.086) 11.589 12.562 ( -2.585 0.000 -2.143) 3.358 12.594 ( -5.370 0.000 -4.136) 6.778 12.799 ( -0.755 0.000 8.933) 8.965 12.836 ( -3.065 0.000 6.786) 7.446 12.933 ( 0.343 0.000 -2.251) 2.277 12.949 ( -0.629 0.000 -4.067) 4.116 13.213 ( 3.292 0.000 1.035) 3.451 13.290 ( -3.943 0.000 0.132) 3.945 13.351 ( 1.884 0.000 -8.555) 8.760 13.409 ( -3.622 0.000 -8.364) 9.115 13.749 ( 4.868 0.000 13.335) 14.196 13.836 ( -3.664 0.000 11.938) 12.487 13.983 ( 1.382 0.000 -2.888) 3.202 14.010 ( -1.067 0.000 -1.152) 1.570 14.318 ( 4.777 0.000 4.520) 6.577 14.371 ( -1.144 0.000 -0.312) 1.186 14.480 ( 6.683 0.000 1.650) 6.884 14.570 ( -1.539 0.000 1.580) 2.206 14.635 ( -0.412 0.000 -3.968) 3.989 14.664 ( -2.189 0.000 -8.071) 8.362 15.122 ( 2.091 0.000 -2.987) 3.646 15.193 ( -4.223 0.000 -9.078) 10.012 15.598 ( 5.979 0.000 6.661) 8.951 15.637 ( 3.231 0.000 1.233) 3.458 15.703 ( 0.223 0.000 5.476) 5.481 15.736 ( -1.756 0.000 1.893) 2.582 16.012 ( 6.617 0.000 -0.859) 6.673 16.048 ( 4.376 0.000 -2.594) 5.087 16.161 ( -0.251 0.000 -0.746) 0.787 16.181 ( -2.243 0.000 -2.373) 3.265 16.269 ( 4.905 0.000 6.968) 8.522 16.379 ( -3.903 0.000 1.166) 4.074 16.466 ( 0.308 0.000 -3.215) 3.230 16.512 ( -3.390 0.000 -3.415) 4.811 16.973 ( 3.780 0.000 3.121) 4.902 17.020 ( -0.506 0.000 -0.998) 1.119 17.197 ( 2.267 0.000 0.665) 2.363 17.245 ( -1.755 0.000 -2.981) 3.459 17.521 ( 1.881 0.000 2.257) 2.938 17.584 ( -3.939 0.000 -3.091) 5.007 18.057 ( 0.906 0.000 3.190) 3.316 18.114 ( -4.733 0.000 -1.866) 5.088 18.620 ( 0.067 0.000 3.492) 3.493 18.665 ( -4.570 0.000 2.719) 5.318 18.735 ( 0.822 0.000 -2.774) 2.893 18.795 ( -5.143 0.000 -4.679) 6.953 19.391 ( -0.690 0.000 5.786) 5.827 19.409 ( -2.504 0.000 5.582) 6.117 19.652 ( 1.734 0.000 -5.010) 5.302 19.705 ( -4.032 0.000 -8.001) 8.959 20.048 ( 4.117 0.000 3.290) 5.270 20.096 ( -0.347 0.000 -0.970) 1.030 20.505 ( 1.386 0.000 3.854) 4.095 20.577 ( -6.009 0.000 -2.468) 6.496 21.924 ( 1.577 0.000 1.121) 1.935 21.939 ( 0.090 0.000 0.044) 0.100 22.128 ( 1.297 0.000 -1.391) 1.902 22.146 ( -0.498 0.000 -2.640) 2.687 22.497 ( 0.436 0.000 3.068) 3.099 22.500 ( 0.153 0.000 2.768) 2.772 22.944 ( 1.515 0.000 -4.429) 4.681 22.948 ( 0.982 0.000 -4.788) 4.887 23.226 ( 2.069 0.000 4.059) 4.556 23.236 ( 0.956 0.000 3.209) 3.349 23.860 ( 2.876 0.000 0.705) 2.961 23.893 ( -0.577 0.000 -2.028) 2.109 25.733 ( 1.880 0.000 0.557) 1.961 25.745 ( 1.073 0.000 -0.498) 1.183 25.811 ( -0.830 0.000 0.202) 0.854 25.819 ( -1.129 0.000 -0.399) 1.198 26.501 ( 1.223 0.000 0.788) 1.455 26.518 ( -0.373 0.000 -0.663) 0.760 26.857 ( -2.036 0.000 0.118) 2.039 26.860 ( -2.204 0.000 -0.095) 2.206 ======================= Grid point 54 (21/30) ======================= q-point: ( 0.00 0.20 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-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 2.98e-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 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 40 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.370 ( 0.000 25.616 38.932) 46.604 1.462 ( 0.000 33.070 37.408) 49.930 2.099 ( 0.000 38.366 17.816) 42.301 2.200 ( 0.000 22.030 -16.337) 27.426 2.252 ( 0.000 29.593 -17.415) 34.337 2.774 ( 0.000 -5.975 4.322) 7.374 2.915 ( 0.000 2.830 -7.768) 8.267 3.015 ( 0.000 -9.040 -2.552) 9.394 3.166 ( 0.000 -3.338 1.437) 3.634 3.199 ( 0.000 -0.074 2.827) 2.828 3.346 ( 0.000 -2.762 -0.913) 2.909 3.403 ( 0.000 -0.862 -22.973) 22.989 3.579 ( 0.000 6.541 -0.281) 6.547 3.640 ( 0.000 -1.699 3.514) 3.903 3.725 ( 0.000 3.784 8.051) 8.896 3.797 ( 0.000 3.746 8.397) 9.195 3.835 ( 0.000 -9.245 -12.117) 15.241 3.886 ( 0.000 3.196 -5.515) 6.374 4.018 ( 0.000 -2.498 -0.655) 2.582 4.036 ( 0.000 6.287 -9.175) 11.123 4.240 ( 0.000 5.949 -3.775) 7.045 4.290 ( 0.000 -3.250 -10.711) 11.193 4.344 ( 0.000 4.769 -2.345) 5.315 4.369 ( 0.000 5.268 -4.186) 6.728 4.616 ( 0.000 1.087 1.662) 1.986 4.647 ( 0.000 -0.265 -2.674) 2.687 4.768 ( 0.000 -2.583 1.400) 2.938 4.802 ( 0.000 -2.192 -1.873) 2.883 4.887 ( 0.000 1.837 4.844) 5.181 4.989 ( 0.000 2.590 -2.530) 3.621 5.040 ( 0.000 -3.966 9.009) 9.844 5.109 ( 0.000 -1.985 5.179) 5.546 5.137 ( 0.000 -5.010 4.441) 6.696 5.162 ( 0.000 -0.054 2.282) 2.283 5.185 ( 0.000 -2.637 1.183) 2.890 5.233 ( 0.000 -2.438 1.443) 2.833 5.291 ( 0.000 -1.729 -1.638) 2.382 5.326 ( 0.000 2.586 3.674) 4.493 5.373 ( 0.000 2.939 -0.926) 3.082 5.469 ( 0.000 2.577 -4.640) 5.308 5.578 ( 0.000 -1.316 -4.210) 4.411 5.629 ( 0.000 0.981 -3.763) 3.889 5.697 ( 0.000 -2.389 9.242) 9.545 5.749 ( 0.000 -5.950 -4.002) 7.171 5.789 ( 0.000 -1.037 -1.749) 2.033 5.846 ( 0.000 -7.038 -0.055) 7.038 5.873 ( 0.000 -6.488 -2.474) 6.944 5.967 ( 0.000 -5.187 -11.664) 12.765 6.086 ( 0.000 -2.073 5.604) 5.975 6.141 ( 0.000 4.488 1.278) 4.666 6.157 ( 0.000 0.341 -3.014) 3.033 6.231 ( 0.000 3.840 -0.070) 3.841 6.278 ( 0.000 -1.203 6.102) 6.219 6.308 ( 0.000 -3.987 -0.068) 3.988 6.327 ( 0.000 -2.906 3.229) 4.344 6.399 ( 0.000 -1.579 -4.599) 4.863 6.430 ( 0.000 -1.034 3.694) 3.836 6.478 ( 0.000 -2.859 1.838) 3.399 6.554 ( 0.000 1.483 4.097) 4.357 6.611 ( 0.000 -2.988 6.071) 6.766 6.654 ( 0.000 -3.595 -0.405) 3.618 6.715 ( 0.000 -0.706 -3.012) 3.094 6.852 ( 0.000 0.886 4.923) 5.002 6.866 ( 0.000 5.561 2.840) 6.244 6.955 ( 0.000 10.050 -3.519) 10.648 6.959 ( 0.000 -5.285 3.481) 6.328 7.095 ( 0.000 -9.133 -7.245) 11.658 7.145 ( 0.000 5.367 -11.148) 12.372 7.303 ( 0.000 -4.340 9.143) 10.121 7.323 ( 0.000 -4.809 -0.633) 4.850 7.389 ( 0.000 2.250 -3.154) 3.874 7.508 ( 0.000 1.554 1.805) 2.382 7.521 ( 0.000 -5.165 -2.196) 5.612 7.591 ( 0.000 -2.047 -2.105) 2.936 7.670 ( 0.000 1.841 1.858) 2.616 7.705 ( 0.000 4.247 2.450) 4.903 7.771 ( 0.000 6.611 -1.444) 6.766 7.891 ( 0.000 0.137 -0.178) 0.224 7.911 ( 0.000 9.435 -2.344) 9.722 8.007 ( 0.000 0.647 -3.156) 3.221 8.058 ( 0.000 1.256 1.977) 2.343 8.107 ( 0.000 -3.017 2.256) 3.767 8.156 ( 0.000 2.179 1.282) 2.529 8.185 ( 0.000 2.673 0.136) 2.677 8.261 ( 0.000 -3.926 -1.634) 4.252 8.325 ( 0.000 -0.147 -4.713) 4.715 8.418 ( 0.000 -0.939 -4.445) 4.543 8.443 ( 0.000 -2.976 -5.043) 5.855 8.505 ( 0.000 4.954 5.618) 7.490 8.532 ( 0.000 1.766 2.768) 3.283 8.609 ( 0.000 -0.735 -0.827) 1.107 8.661 ( 0.000 1.820 -1.605) 2.427 8.708 ( 0.000 -1.327 0.500) 1.418 8.739 ( 0.000 -2.722 -3.048) 4.086 8.889 ( 0.000 -1.643 4.893) 5.161 8.941 ( 0.000 -7.568 1.930) 7.810 9.079 ( 0.000 -0.686 0.051) 0.688 9.083 ( 0.000 0.800 3.122) 3.223 9.163 ( 0.000 2.420 5.315) 5.841 9.223 ( 0.000 5.355 0.566) 5.384 9.257 ( 0.000 0.141 1.862) 1.868 9.372 ( 0.000 -1.580 -0.603) 1.691 9.406 ( 0.000 2.968 -2.232) 3.714 9.446 ( 0.000 3.148 -0.885) 3.270 9.452 ( 0.000 -3.992 0.541) 4.028 9.488 ( 0.000 -2.697 2.646) 3.778 9.607 ( 0.000 -2.031 -1.543) 2.551 9.703 ( 0.000 -8.040 -5.171) 9.559 9.817 ( 0.000 -0.696 1.886) 2.010 9.914 ( 0.000 5.459 -6.841) 8.752 10.056 ( 0.000 -2.604 10.569) 10.885 10.149 ( 0.000 3.484 3.616) 5.021 10.222 ( 0.000 2.650 -1.855) 3.234 10.309 ( 0.000 -0.019 -7.445) 7.445 10.369 ( 0.000 4.199 0.078) 4.200 10.422 ( 0.000 5.770 -5.381) 7.890 10.578 ( 0.000 -2.116 5.692) 6.073 10.738 ( 0.000 -3.982 2.187) 4.543 10.747 ( 0.000 -5.537 -2.926) 6.263 10.791 ( 0.000 -7.462 -8.135) 11.039 10.920 ( 0.000 -3.359 2.152) 3.990 10.974 ( 0.000 -4.977 1.997) 5.363 11.013 ( 0.000 -10.993 1.842) 11.146 11.092 ( 0.000 -4.425 -0.405) 4.443 11.149 ( 0.000 -3.690 3.039) 4.780 11.239 ( 0.000 -3.696 -4.354) 5.711 11.338 ( 0.000 -1.848 8.415) 8.615 11.465 ( 0.000 6.363 4.930) 8.049 11.487 ( 0.000 1.650 -2.457) 2.959 11.573 ( 0.000 13.177 5.757) 14.380 11.617 ( 0.000 6.046 -8.510) 10.439 11.708 ( 0.000 2.093 5.571) 5.952 11.758 ( 0.000 12.147 -7.758) 14.413 11.820 ( 0.000 -3.090 0.177) 3.095 11.940 ( 0.000 6.465 1.660) 6.675 11.998 ( 0.000 -1.403 -2.903) 3.224 12.063 ( 0.000 11.329 0.525) 11.341 12.102 ( 0.000 -1.535 5.473) 5.684 12.180 ( 0.000 11.923 -5.104) 12.969 12.308 ( 0.000 -0.377 -7.330) 7.340 12.436 ( 0.000 11.158 5.368) 12.382 12.556 ( 0.000 7.359 -6.251) 9.655 12.744 ( 0.000 0.444 6.671) 6.686 12.794 ( 0.000 2.872 0.513) 2.917 12.918 ( 0.000 -0.816 1.263) 1.504 12.962 ( 0.000 -2.226 -2.946) 3.692 13.134 ( 0.000 1.069 2.143) 2.394 13.222 ( 0.000 -2.135 -4.219) 4.729 13.491 ( 0.000 -2.484 2.193) 3.313 13.518 ( 0.000 1.709 2.479) 3.011 13.544 ( 0.000 -3.555 -1.874) 4.018 13.583 ( 0.000 2.950 -3.318) 4.440 13.768 ( 0.000 0.557 6.138) 6.163 13.867 ( 0.000 -4.305 0.750) 4.370 14.015 ( 0.000 -18.996 12.207) 22.580 14.157 ( 0.000 1.395 1.811) 2.286 14.361 ( 0.000 -13.027 -4.490) 13.779 14.402 ( 0.000 -9.222 -5.424) 10.699 14.660 ( 0.000 -9.390 3.677) 10.084 14.747 ( 0.000 -9.042 -3.863) 9.833 14.982 ( 0.000 -2.729 6.351) 6.912 15.108 ( 0.000 -1.143 -4.729) 4.865 15.150 ( 0.000 -5.762 6.795) 8.910 15.208 ( 0.000 -12.321 13.755) 18.466 15.295 ( 0.000 -6.449 -4.572) 7.905 15.391 ( 0.000 -0.548 -2.728) 2.783 15.495 ( 0.000 3.489 3.396) 4.869 15.597 ( 0.000 2.195 -4.324) 4.849 15.626 ( 0.000 -4.490 -1.111) 4.625 15.663 ( 0.000 -6.643 -1.186) 6.748 15.756 ( 0.000 -3.774 1.760) 4.164 15.841 ( 0.000 -0.554 -3.460) 3.504 16.113 ( 0.000 -0.672 0.493) 0.834 16.127 ( 0.000 2.629 -0.357) 2.653 16.262 ( 0.000 -2.049 3.344) 3.922 16.315 ( 0.000 0.251 -0.753) 0.794 16.857 ( 0.000 5.977 2.926) 6.654 16.944 ( 0.000 5.038 -2.219) 5.505 17.009 ( 0.000 7.545 2.126) 7.839 17.082 ( 0.000 8.921 -2.942) 9.393 17.931 ( 0.000 12.532 1.559) 12.628 18.094 ( 0.000 12.277 -8.172) 14.748 18.522 ( 0.000 6.066 -1.572) 6.266 18.613 ( 0.000 5.228 -3.440) 6.259 18.745 ( 0.000 10.032 4.300) 10.915 18.998 ( 0.000 0.844 -17.861) 17.881 19.375 ( 0.000 -1.469 0.964) 1.757 19.384 ( 0.000 -0.828 -0.154) 0.842 19.478 ( 0.000 1.123 0.550) 1.250 19.491 ( 0.000 1.858 -0.808) 2.026 19.699 ( 0.000 -8.422 8.699) 12.108 19.821 ( 0.000 -5.873 -3.351) 6.762 20.034 ( 0.000 5.714 14.846) 15.908 20.360 ( 0.000 14.272 -19.005) 23.768 20.427 ( 0.000 -3.871 12.066) 12.672 20.725 ( 0.000 -2.201 -13.108) 13.291 21.810 ( 0.000 0.635 1.593) 1.715 21.841 ( 0.000 0.097 -1.203) 1.207 21.911 ( 0.000 -0.159 0.508) 0.532 21.919 ( 0.000 -0.293 -0.259) 0.391 22.414 ( 0.000 1.779 6.594) 6.830 22.572 ( 0.000 4.010 -7.654) 8.641 22.814 ( 0.000 -6.636 10.892) 12.755 22.922 ( 0.000 -9.486 9.535) 13.450 22.968 ( 0.000 -3.660 0.868) 3.761 23.139 ( 0.000 -3.869 0.290) 3.879 23.156 ( 0.000 -9.490 -2.164) 9.734 23.196 ( 0.000 -5.226 -1.996) 5.595 25.545 ( 0.000 -1.803 1.466) 2.324 25.570 ( 0.000 -2.211 -0.252) 2.226 25.842 ( 0.000 1.429 8.294) 8.417 26.030 ( 0.000 -3.117 -8.450) 9.007 26.611 ( 0.000 12.189 3.441) 12.665 26.766 ( 0.000 15.992 -12.883) 20.536 27.065 ( 0.000 -3.095 2.557) 4.015 27.124 ( 0.000 -2.085 -2.380) 3.164 ======================= Grid point 55 (22/30) ======================= q-point: ( 0.11 0.20 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-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 2.98e-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 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 68 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.437 ( 19.365 25.319 26.133) 41.219 1.743 ( 18.974 38.199 23.794) 48.840 2.173 ( 4.204 15.516 -34.743) 38.282 2.296 ( 8.380 28.429 -23.562) 37.863 2.529 ( 29.236 25.572 36.283) 53.151 2.786 ( 0.937 -2.829 5.747) 6.473 2.985 ( 5.020 2.015 -3.150) 6.259 3.065 ( 3.582 3.195 -1.240) 4.957 3.191 ( 5.752 4.785 5.490) 9.280 3.324 ( 11.385 -12.087 6.331) 17.770 3.402 ( 5.831 -7.125 0.614) 9.228 3.549 ( 8.115 -7.408 -4.343) 11.815 3.671 ( 2.619 -2.340 0.952) 3.639 3.734 ( 10.251 3.678 -3.478) 11.432 3.780 ( 4.345 1.050 6.895) 8.217 3.898 ( 8.820 -4.548 -6.574) 11.904 3.931 ( 11.520 3.850 -2.885) 12.485 3.982 ( 9.408 1.083 -5.479) 10.941 4.052 ( 6.770 -3.290 -3.619) 8.352 4.118 ( 5.064 5.834 -10.302) 12.877 4.191 ( -0.986 1.459 -4.028) 4.396 4.241 ( -0.541 1.778 -9.051) 9.239 4.339 ( 2.738 0.842 2.329) 3.692 4.439 ( 5.113 3.112 -4.402) 7.430 4.652 ( -0.501 -0.184 2.969) 3.017 4.701 ( 3.701 -4.325 -0.478) 5.712 4.792 ( 1.554 -1.299 1.853) 2.745 4.861 ( 2.838 -1.905 -3.629) 4.985 4.885 ( 0.197 1.868 3.455) 3.933 4.975 ( 2.830 1.671 1.912) 3.803 5.039 ( -1.855 -3.965 1.307) 4.569 5.106 ( 1.901 -0.784 3.851) 4.365 5.149 ( 0.396 -1.457 1.780) 2.334 5.174 ( 2.171 0.375 6.681) 7.035 5.200 ( 1.580 -2.098 3.765) 4.591 5.271 ( 3.197 -1.982 -0.800) 3.845 5.309 ( 3.111 1.329 -2.742) 4.355 5.367 ( 4.950 0.970 -0.166) 5.047 5.408 ( 1.507 0.721 -2.492) 3.000 5.472 ( 2.815 5.400 -5.309) 8.079 5.548 ( -3.252 -0.060 -0.602) 3.308 5.612 ( 0.564 -0.724 -2.957) 3.096 5.674 ( -2.911 -3.215 0.308) 4.348 5.733 ( -1.489 -1.614 0.472) 2.246 5.793 ( 1.149 -3.737 -2.230) 4.501 5.859 ( -0.331 -6.227 -1.655) 6.452 5.909 ( 2.600 -5.741 -0.752) 6.347 5.951 ( -3.444 -3.823 -2.667) 5.796 6.066 ( -2.880 -3.051 7.237) 8.366 6.092 ( -0.835 -0.220 -0.167) 0.880 6.132 ( -4.433 -0.923 -2.086) 4.985 6.180 ( -2.609 1.323 1.545) 3.308 6.255 ( -4.007 2.095 0.828) 4.597 6.288 ( 1.243 -0.485 0.777) 1.543 6.312 ( -0.939 2.071 -0.131) 2.277 6.395 ( 1.163 -1.323 -1.759) 2.490 6.462 ( -1.779 3.913 1.556) 4.572 6.518 ( -1.613 -2.288 1.877) 3.370 6.547 ( -2.463 0.085 5.568) 6.089 6.582 ( -2.487 -2.856 5.037) 6.302 6.611 ( 4.259 -1.989 0.853) 4.777 6.711 ( -1.285 1.441 -4.008) 4.449 6.823 ( -0.066 4.852 1.597) 5.109 6.898 ( 0.458 -2.713 -0.263) 2.764 6.927 ( -1.579 0.422 -1.931) 2.530 7.008 ( 1.677 0.149 -4.224) 4.547 7.055 ( -0.187 -4.094 -3.460) 5.363 7.102 ( -0.958 0.964 -7.578) 7.699 7.276 ( -1.884 0.515 3.940) 4.398 7.329 ( 0.200 -2.234 -2.156) 3.111 7.400 ( 0.636 -1.753 2.693) 3.276 7.492 ( -2.764 -0.658 -1.565) 3.244 7.570 ( -2.324 0.243 6.684) 7.081 7.607 ( -1.788 -0.736 4.382) 4.789 7.646 ( 0.631 -0.533 -0.144) 0.838 7.692 ( 2.991 -0.884 -2.070) 3.744 7.776 ( -1.698 -0.082 -1.917) 2.562 7.843 ( -4.482 3.081 -1.817) 5.734 7.923 ( -3.913 5.519 0.332) 6.773 7.957 ( -1.303 3.081 -0.249) 3.354 8.008 ( -2.085 2.844 1.497) 3.831 8.033 ( -3.697 -0.221 3.808) 5.313 8.097 ( -0.600 -2.513 -1.300) 2.892 8.168 ( -1.733 2.383 -3.672) 4.708 8.240 ( -3.650 1.009 -3.697) 5.292 8.302 ( -1.584 -3.457 -5.241) 6.475 8.376 ( -4.828 1.715 5.982) 7.876 8.456 ( -1.023 1.903 3.110) 3.787 8.482 ( 1.002 -2.455 -2.266) 3.488 8.572 ( 3.094 -1.060 -4.417) 5.496 8.627 ( 3.169 -1.342 4.107) 5.358 8.691 ( -0.324 3.911 2.196) 4.497 8.730 ( -1.817 -3.406 0.545) 3.899 8.807 ( 0.173 0.926 0.009) 0.942 8.855 ( -0.404 -3.911 -0.620) 3.981 8.922 ( 3.636 -3.497 -2.368) 5.572 8.996 ( -3.406 1.411 3.484) 5.072 9.060 ( -3.128 1.192 -2.457) 4.153 9.149 ( 1.365 3.939 2.358) 4.790 9.239 ( 4.013 4.533 -3.861) 7.181 9.285 ( -2.632 1.844 3.606) 4.830 9.345 ( 0.309 -0.602 1.634) 1.768 9.409 ( -0.135 -0.284 1.184) 1.225 9.471 ( 2.834 -1.711 0.405) 3.335 9.519 ( 4.247 0.062 0.885) 4.339 9.615 ( 8.740 1.895 -0.006) 8.943 9.674 ( 4.892 -4.677 -3.553) 7.644 9.717 ( 1.872 -6.929 -3.638) 8.046 9.879 ( 4.330 0.495 2.032) 4.809 9.919 ( 0.722 5.174 -1.670) 5.485 10.031 ( -3.491 4.114 6.140) 8.174 10.139 ( -3.787 6.072 -1.504) 7.312 10.193 ( 0.878 -1.298 0.404) 1.618 10.297 ( 1.865 -2.276 -5.579) 6.308 10.398 ( 0.590 -0.892 1.919) 2.197 10.444 ( -0.370 -2.174 -0.713) 2.318 10.543 ( -6.824 0.360 3.449) 7.655 10.633 ( -4.299 -1.932 -1.549) 4.961 10.691 ( -5.043 -6.162 1.093) 8.038 10.793 ( -0.360 -1.122 -4.598) 4.746 10.864 ( -3.770 -6.269 4.121) 8.396 10.960 ( -3.004 -4.491 5.399) 7.638 11.006 ( -2.012 -7.101 -5.868) 9.429 11.072 ( -2.496 -0.924 3.299) 4.239 11.125 ( -2.579 -8.469 -3.272) 9.438 11.171 ( -2.433 -4.786 -3.018) 6.159 11.333 ( 0.027 0.027 2.770) 2.770 11.382 ( -0.301 4.331 3.565) 5.617 11.497 ( -4.514 6.821 -0.923) 8.232 11.561 ( -1.607 0.406 -6.435) 6.645 11.650 ( -1.124 1.736 3.992) 4.496 11.714 ( 2.634 7.608 3.986) 8.984 11.750 ( -4.320 1.909 -3.278) 5.749 11.785 ( 0.689 4.646 0.052) 4.697 11.910 ( -2.661 8.215 1.086) 8.703 11.960 ( -2.459 4.906 -1.663) 5.734 12.058 ( -4.574 4.725 2.758) 7.131 12.133 ( -2.513 2.708 1.943) 4.174 12.208 ( 2.317 4.153 0.611) 4.795 12.350 ( 1.074 4.991 -2.058) 5.504 12.430 ( 0.245 5.413 -1.506) 5.624 12.501 ( -0.595 0.906 -4.139) 4.279 12.707 ( -1.979 3.333 6.610) 7.663 12.807 ( -0.997 3.146 -1.950) 3.833 12.919 ( 0.666 -0.113 3.139) 3.211 13.028 ( 4.085 -1.447 -6.832) 8.091 13.134 ( -0.547 0.166 1.877) 1.963 13.199 ( -3.071 0.361 -3.026) 4.326 13.394 ( -5.169 0.277 0.375) 5.190 13.443 ( -3.698 -2.060 -2.934) 5.151 13.592 ( -2.886 1.041 2.041) 3.685 13.659 ( -0.714 -0.904 -3.023) 3.235 13.733 ( -0.196 -0.856 2.705) 2.844 13.794 ( -4.548 -1.775 -2.006) 5.278 13.992 ( -1.863 -15.626 11.624) 19.565 14.129 ( -4.024 -0.747 1.511) 4.363 14.313 ( -4.310 -9.947 -2.285) 11.079 14.379 ( -2.135 -8.822 -4.741) 10.240 14.588 ( -6.276 -1.895 4.718) 8.077 14.693 ( -5.136 -8.293 -2.224) 10.005 14.833 ( -13.885 -0.555 5.152) 14.821 14.959 ( -12.798 -2.310 -4.775) 13.854 15.065 ( -5.605 -9.699 6.591) 12.998 15.139 ( -4.527 -8.873 -0.998) 10.011 15.342 ( 6.555 -6.212 1.852) 9.219 15.406 ( 1.564 -2.407 -1.226) 3.121 15.523 ( 2.465 2.067 1.557) 3.574 15.589 ( 1.258 1.391 -3.082) 3.607 15.649 ( 2.572 -0.267 0.438) 2.623 15.699 ( 3.172 -5.520 -2.461) 6.825 15.801 ( 3.211 3.813 -0.551) 5.016 15.816 ( 6.891 2.835 -2.788) 7.956 16.218 ( 4.683 -2.941 7.299) 9.157 16.336 ( 12.578 -0.242 -0.704) 12.600 16.396 ( 12.111 -3.557 1.491) 12.710 16.467 ( 12.525 -1.762 -4.376) 13.384 16.815 ( -4.151 5.684 3.122) 7.700 16.886 ( -4.085 6.956 -1.349) 8.179 17.023 ( -0.669 2.790 2.074) 3.541 17.089 ( 2.856 4.505 -2.613) 5.940 17.909 ( -2.614 13.656 1.037) 13.943 18.023 ( -6.963 14.629 -6.609) 17.498 18.374 ( -11.379 6.087 8.863) 15.656 18.536 ( -6.858 4.740 -4.355) 9.406 18.721 ( -1.189 7.606 6.641) 10.167 18.970 ( -3.836 0.782 -16.132) 16.600 19.255 ( -11.276 -1.026 4.587) 12.217 19.312 ( -10.563 -0.865 -1.285) 10.676 19.482 ( -2.240 1.999 3.827) 4.864 19.510 ( 1.431 1.209 0.372) 1.910 19.545 ( 1.777 2.157 4.418) 5.228 19.723 ( -0.244 -2.424 -7.792) 8.164 20.100 ( -3.779 2.573 14.526) 15.229 20.305 ( 0.751 2.019 2.692) 3.448 20.558 ( -6.092 -2.694 -3.394) 7.476 20.774 ( 7.227 -8.449 -17.499) 20.732 21.812 ( 0.841 0.937 1.191) 1.734 21.848 ( 1.308 0.626 -2.191) 2.628 21.966 ( 4.289 -0.256 1.261) 4.478 22.000 ( 6.331 -0.871 -1.519) 6.569 22.430 ( 1.662 1.648 6.187) 6.615 22.543 ( -2.900 2.093 -0.120) 3.579 22.745 ( -1.654 -5.622 7.321) 9.378 22.893 ( -3.505 -3.870 -3.146) 6.096 22.975 ( 3.418 0.561 2.865) 4.494 23.039 ( 2.655 1.123 -2.509) 3.822 23.375 ( 11.592 -8.701 3.802) 14.984 23.480 ( 15.905 -15.478 -5.417) 22.845 25.568 ( 2.276 -1.432 1.375) 3.020 25.595 ( 2.295 -2.023 -0.465) 3.095 25.840 ( -0.233 0.865 6.394) 6.456 25.993 ( -3.400 -1.499 -6.992) 7.918 26.596 ( -1.455 11.152 2.497) 11.520 26.685 ( -5.672 14.065 -5.863) 16.259 27.053 ( -1.954 -3.419 1.142) 4.100 27.089 ( -3.401 -2.376 -1.504) 4.413 ======================= Grid point 56 (23/30) ======================= q-point: ( 0.22 0.20 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-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 2.98e-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 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 68 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.980 ( 30.597 16.376 9.870) 36.080 2.193 ( 27.464 27.454 12.589) 40.822 2.376 ( 15.281 13.766 -21.762) 29.944 2.542 ( 16.925 21.950 -16.486) 32.249 2.792 ( 1.215 0.933 4.808) 5.047 2.870 ( 5.121 7.174 -1.254) 8.903 3.125 ( 5.230 7.554 4.802) 10.366 3.150 ( 6.827 3.915 1.456) 8.003 3.441 ( 4.760 0.062 10.210) 11.265 3.500 ( 15.513 -1.532 6.728) 16.979 3.557 ( 10.242 -2.496 8.689) 13.661 3.645 ( 4.318 -6.198 3.456) 8.307 3.758 ( 8.334 -6.523 3.467) 11.136 3.880 ( 3.769 0.252 -3.178) 4.937 3.891 ( 5.471 -4.940 -0.701) 7.405 3.990 ( 0.431 -0.152 -6.967) 6.982 4.031 ( 2.778 -0.882 -0.631) 2.982 4.105 ( 6.857 -5.010 -5.071) 9.891 4.192 ( 8.713 -1.612 -1.799) 9.042 4.263 ( 5.636 2.398 -3.189) 6.905 4.343 ( 6.412 -2.913 3.066) 7.682 4.419 ( 11.459 -5.755 -4.218) 13.499 4.497 ( 3.509 -0.511 1.624) 3.901 4.561 ( 18.024 -1.731 -2.403) 18.266 4.617 ( 3.331 -3.710 1.800) 5.301 4.723 ( -2.740 -4.335 -2.988) 5.935 4.798 ( -2.051 1.030 3.517) 4.200 4.864 ( 2.164 0.861 -1.385) 2.710 4.949 ( -1.595 -1.169 4.148) 4.595 4.983 ( 5.361 1.258 1.541) 5.718 5.036 ( -0.814 2.605 -3.522) 4.456 5.124 ( -0.665 -1.704 4.381) 4.748 5.157 ( -0.432 -3.217 -1.915) 3.769 5.229 ( 3.683 3.750 3.783) 6.476 5.276 ( 3.418 0.129 -3.686) 5.028 5.323 ( 0.356 1.566 -6.187) 6.393 5.398 ( 6.463 -0.909 0.308) 6.534 5.457 ( 0.782 2.673 3.403) 4.397 5.499 ( 3.586 1.467 1.529) 4.165 5.531 ( 5.209 -0.809 2.548) 5.855 5.587 ( 5.138 1.342 -0.019) 5.311 5.613 ( 3.707 0.786 -4.152) 5.621 5.674 ( 1.644 2.712 -4.855) 5.799 5.707 ( -1.362 1.013 4.203) 4.533 5.751 ( -1.379 1.101 -3.881) 4.263 5.845 ( -3.948 -4.914 -2.424) 6.753 5.918 ( 3.942 -5.222 0.486) 6.561 5.940 ( 0.661 -4.286 -1.632) 4.634 5.996 ( -2.757 -0.347 1.589) 3.202 6.042 ( -2.516 0.090 -1.312) 2.839 6.119 ( 2.570 0.683 1.922) 3.281 6.145 ( 2.405 -1.120 -2.262) 3.487 6.210 ( -0.836 -0.483 2.039) 2.256 6.287 ( -1.269 -0.266 -1.510) 1.990 6.303 ( -0.885 2.764 2.578) 3.883 6.387 ( 0.552 1.202 -4.742) 4.923 6.430 ( -0.679 3.204 1.853) 3.763 6.494 ( 0.982 -2.531 -3.509) 4.437 6.543 ( 1.297 -0.694 3.854) 4.125 6.580 ( 0.875 0.799 4.341) 4.500 6.646 ( 1.355 1.735 1.701) 2.781 6.694 ( 0.310 0.581 -3.565) 3.625 6.845 ( 0.480 3.779 -2.617) 4.622 6.893 ( -2.321 1.087 -2.409) 3.517 6.977 ( 4.978 0.081 -1.370) 5.163 7.001 ( 1.178 -2.334 -0.969) 2.789 7.055 ( -0.505 2.793 -0.065) 2.839 7.110 ( -1.224 0.314 -4.063) 4.255 7.229 ( -3.961 0.466 4.390) 5.931 7.294 ( -3.435 -0.751 -3.865) 5.225 7.384 ( -4.031 -3.527 4.135) 6.767 7.443 ( -1.217 -1.368 1.867) 2.615 7.493 ( -2.864 0.780 5.556) 6.299 7.543 ( -3.604 2.115 2.370) 4.804 7.623 ( -0.356 1.448 -0.555) 1.591 7.691 ( -4.832 -1.429 -1.142) 5.167 7.770 ( -1.461 2.740 -2.324) 3.879 7.812 ( 3.963 -4.382 2.448) 6.395 7.871 ( -0.325 -1.516 -1.240) 1.985 7.895 ( -3.852 1.434 -4.279) 5.933 7.975 ( -0.410 2.768 0.397) 2.827 8.038 ( 2.713 1.712 0.055) 3.209 8.100 ( -2.338 0.336 1.024) 2.574 8.136 ( -2.698 0.865 -2.001) 3.469 8.179 ( -0.955 1.208 -3.305) 3.647 8.249 ( -3.046 -1.002 -0.708) 3.283 8.330 ( 0.943 -2.534 0.458) 2.742 8.401 ( -1.127 -0.044 1.183) 1.634 8.499 ( -6.615 -4.761 -0.742) 8.184 8.553 ( -1.795 -1.508 -2.078) 3.133 8.619 ( 2.947 -1.091 4.367) 5.380 8.713 ( 2.213 -0.426 -2.064) 3.056 8.791 ( 7.529 3.090 4.092) 9.109 8.841 ( 0.070 4.326 1.441) 4.560 8.878 ( -1.010 0.438 0.336) 1.151 8.924 ( -0.863 2.188 -0.348) 2.377 8.975 ( -0.947 -1.793 2.410) 3.149 9.032 ( 2.465 -2.307 0.494) 3.412 9.186 ( -0.092 2.370 0.900) 2.537 9.229 ( 0.014 2.989 -0.533) 3.036 9.300 ( 3.214 1.611 4.786) 5.986 9.384 ( -0.411 -0.413 -0.117) 0.594 9.430 ( 4.107 2.551 -3.747) 6.117 9.504 ( -0.294 2.064 -3.825) 4.357 9.601 ( 1.742 0.555 2.166) 2.834 9.676 ( 2.497 1.320 -2.431) 3.726 9.736 ( 3.048 -0.416 -0.879) 3.199 9.789 ( 2.107 -2.530 -4.269) 5.391 9.905 ( -1.277 0.388 4.323) 4.524 9.957 ( -1.240 -0.604 0.508) 1.470 9.990 ( 0.278 2.633 2.274) 3.490 10.083 ( -0.488 -1.982 -0.893) 2.228 10.175 ( -5.590 0.050 5.119) 7.580 10.282 ( -2.934 1.643 -3.924) 5.168 10.330 ( -2.422 -4.425 1.153) 5.175 10.410 ( 2.439 -6.741 -4.395) 8.409 10.486 ( 0.343 -3.079 5.858) 6.627 10.594 ( -0.889 1.618 -0.516) 1.917 10.674 ( 0.934 -2.433 3.089) 4.041 10.752 ( -3.090 -0.221 0.496) 3.137 10.811 ( -2.086 -4.980 0.694) 5.444 10.919 ( 0.559 -0.894 3.513) 3.668 10.969 ( -2.337 -3.951 -5.121) 6.878 11.009 ( -3.682 -5.919 -3.971) 8.023 11.067 ( -1.937 -4.691 1.379) 5.259 11.163 ( -0.930 -5.476 -4.146) 6.931 11.326 ( -0.444 1.086 -0.039) 1.174 11.376 ( -4.966 3.733 1.795) 6.467 11.405 ( -8.381 -0.095 -1.166) 8.462 11.482 ( -2.430 1.470 -7.397) 7.923 11.563 ( -5.405 -4.325 5.810) 9.038 11.654 ( -6.779 -1.027 -0.952) 6.922 11.717 ( -1.726 1.379 0.900) 2.385 11.773 ( -3.475 0.462 -2.624) 4.379 11.845 ( -8.726 8.346 3.466) 12.562 11.883 ( -2.899 8.888 2.231) 9.612 11.918 ( -8.788 6.846 1.481) 11.238 12.020 ( -9.774 0.446 -3.684) 10.454 12.164 ( -5.487 4.426 1.905) 7.302 12.234 ( -6.508 2.418 -0.652) 6.974 12.426 ( -2.351 3.805 3.793) 5.865 12.534 ( -4.602 3.900 -2.622) 6.577 12.699 ( 0.800 1.792 5.032) 5.402 12.811 ( 2.266 1.510 -3.668) 4.569 12.909 ( -2.734 0.938 2.110) 3.578 12.983 ( -6.504 -0.632 -3.167) 7.262 13.108 ( -5.064 -1.195 2.182) 5.642 13.149 ( -2.304 -0.137 -2.382) 3.317 13.252 ( -9.616 0.336 1.295) 9.709 13.310 ( -8.791 -1.258 -3.216) 9.445 13.504 ( -4.254 3.899 -0.909) 5.842 13.552 ( -4.368 -0.939 -4.926) 6.650 13.728 ( -1.285 -3.481 4.614) 5.921 13.811 ( 2.030 -6.477 -2.105) 7.107 13.927 ( -3.295 -6.312 4.719) 8.542 14.008 ( -6.839 -3.913 0.896) 7.930 14.222 ( -5.049 -0.489 0.966) 5.164 14.336 ( -1.543 -5.846 -6.599) 8.950 14.456 ( -4.809 4.159 6.150) 8.845 14.589 ( -3.933 -4.171 -0.270) 5.739 14.679 ( -1.039 1.769 0.039) 2.052 14.734 ( -6.521 -3.721 -2.687) 7.974 15.031 ( 0.888 -10.979 4.631) 11.949 15.136 ( 2.564 -9.931 -4.534) 11.214 15.424 ( 1.200 0.683 3.666) 3.918 15.482 ( 6.053 -1.454 -1.834) 6.490 15.584 ( 4.564 1.883 2.265) 5.432 15.667 ( 4.581 1.583 -0.390) 4.863 15.720 ( 5.069 -0.845 -0.499) 5.163 15.768 ( 5.677 -2.920 -3.736) 7.397 15.945 ( 9.017 4.246 2.686) 10.322 15.993 ( 9.317 0.948 -2.268) 9.636 16.267 ( 1.176 -0.354 6.014) 6.138 16.437 ( 0.390 0.627 -8.128) 8.161 16.590 ( 4.121 -0.894 3.992) 5.806 16.674 ( 2.162 0.146 -2.497) 3.306 16.783 ( 6.010 0.096 1.395) 6.170 16.835 ( 1.207 6.080 -2.476) 6.675 17.037 ( 2.115 -3.188 6.627) 7.652 17.151 ( 2.780 -1.628 -3.558) 4.800 17.815 ( -6.957 17.250 2.229) 18.734 17.885 ( -6.093 10.575 -3.731) 12.763 18.195 ( -7.526 1.610 11.090) 13.499 18.381 ( -8.758 1.876 -5.588) 10.557 18.701 ( -1.114 5.225 4.794) 7.178 18.862 ( -6.366 1.061 -9.504) 11.488 19.034 ( -11.759 0.819 1.930) 11.944 19.088 ( -10.110 -0.589 -2.358) 10.398 19.472 ( -0.516 1.400 3.517) 3.821 19.518 ( -0.540 0.716 0.974) 1.324 19.627 ( 3.793 2.211 2.744) 5.177 19.761 ( 1.855 -3.003 -4.530) 5.743 20.019 ( -1.709 3.667 3.524) 5.365 20.174 ( -11.088 -0.731 -7.072) 13.171 20.496 ( -0.936 -3.059 13.606) 13.977 20.782 ( -5.003 -9.114 -12.206) 16.033 21.846 ( 2.567 1.339 1.400) 3.216 21.891 ( 2.770 1.151 -2.558) 3.942 22.042 ( 3.229 -0.355 1.315) 3.504 22.098 ( 3.317 -1.126 -2.896) 4.545 22.471 ( 2.217 1.687 5.039) 5.757 22.506 ( -0.552 1.502 4.062) 4.365 22.777 ( 3.486 -3.561 -2.078) 5.399 22.840 ( -0.565 -4.592 -5.613) 7.274 23.089 ( 6.874 3.732 4.176) 8.867 23.137 ( 5.952 3.396 -0.020) 6.852 23.571 ( 8.696 -8.159 4.578) 12.773 23.697 ( 7.354 -12.526 -6.123) 15.763 25.624 ( 3.281 -0.738 1.128) 3.547 25.648 ( 3.020 -0.984 -0.616) 3.235 25.834 ( -0.298 0.181 3.383) 3.401 25.922 ( -3.559 0.093 -4.125) 5.449 26.564 ( -1.654 8.866 1.576) 9.155 26.605 ( -2.637 8.842 -1.933) 9.427 26.988 ( -4.482 -3.543 0.578) 5.742 27.003 ( -5.227 -2.811 -0.649) 5.971 ======================= Grid point 57 (24/30) ======================= q-point: ( 0.33 0.20 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-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 2.98e-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 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 68 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.451 ( 15.536 9.349 4.745) 18.742 2.585 ( 7.444 9.166 -3.463) 12.305 2.706 ( 17.058 9.435 -1.298) 19.537 2.787 ( 9.061 9.032 -5.728) 14.018 2.939 ( 17.090 1.865 8.295) 19.089 3.084 ( 13.666 5.844 -2.653) 15.098 3.212 ( 8.507 6.339 -0.428) 10.618 3.236 ( 2.224 1.682 -1.505) 3.169 3.516 ( 4.596 -2.214 4.299) 6.671 3.580 ( 3.894 -3.906 -1.164) 5.637 3.704 ( 3.347 -3.168 2.710) 5.346 3.752 ( 2.747 -4.515 -1.433) 5.476 3.854 ( -3.567 -0.852 -0.278) 3.678 3.875 ( -1.285 0.206 -1.794) 2.216 3.978 ( 3.698 -3.286 3.603) 6.120 4.108 ( 6.720 -1.691 -4.370) 8.192 4.136 ( 4.550 -4.858 1.509) 6.825 4.202 ( 3.803 1.088 0.855) 4.047 4.318 ( 0.686 -0.918 6.128) 6.234 4.361 ( 2.553 -2.754 1.108) 3.915 4.407 ( 7.923 -4.952 -0.173) 9.344 4.491 ( 1.452 -1.045 -5.562) 5.843 4.602 ( 3.701 -1.927 2.161) 4.699 4.652 ( -1.253 -3.554 1.641) 4.110 4.684 ( -0.052 -2.916 -0.583) 2.975 4.786 ( 7.519 -6.143 3.093) 10.190 4.808 ( -5.613 2.353 -5.777) 8.391 4.881 ( 1.131 -5.684 -4.582) 7.388 5.003 ( 4.871 1.244 2.803) 5.756 5.027 ( 5.294 0.560 2.401) 5.839 5.094 ( 1.963 1.507 6.809) 7.245 5.127 ( 1.756 -1.871 0.018) 2.566 5.144 ( -0.775 -0.554 0.324) 1.006 5.262 ( -0.670 -0.946 -0.774) 1.394 5.297 ( 1.703 0.488 -2.089) 2.739 5.334 ( 1.241 2.765 -4.765) 5.648 5.398 ( -7.331 0.161 4.095) 8.399 5.442 ( -1.118 2.556 0.205) 2.797 5.500 ( -1.747 -0.514 -1.245) 2.206 5.529 ( -3.449 -0.361 -0.115) 3.470 5.622 ( 2.660 2.803 1.585) 4.176 5.669 ( 1.656 0.619 1.813) 2.532 5.715 ( 2.557 0.283 1.409) 2.933 5.765 ( 5.398 1.098 -3.705) 6.638 5.800 ( 1.863 0.021 -3.250) 3.746 5.881 ( 5.132 -0.385 -4.891) 7.100 5.956 ( 4.771 2.538 3.193) 6.277 6.010 ( 4.849 5.484 1.269) 7.430 6.044 ( 2.988 3.241 -1.996) 4.839 6.085 ( 7.861 1.656 0.591) 8.055 6.173 ( -1.396 1.108 -1.368) 2.247 6.190 ( -0.885 -3.324 -0.834) 3.539 6.263 ( 5.184 1.086 0.034) 5.297 6.305 ( 5.017 -1.578 -0.138) 5.261 6.348 ( 4.613 5.012 0.128) 6.813 6.395 ( 0.099 3.876 -0.815) 3.962 6.423 ( 0.149 0.654 1.547) 1.686 6.481 ( 0.803 -4.335 -2.124) 4.893 6.588 ( 1.832 1.414 1.294) 2.652 6.632 ( 4.237 2.945 -2.220) 5.617 6.710 ( -0.781 -0.076 1.116) 1.365 6.734 ( 5.027 -1.206 1.571) 5.403 6.809 ( -3.375 0.697 -1.695) 3.840 6.835 ( -1.196 -1.453 -4.063) 4.478 6.967 ( -0.743 4.301 1.618) 4.655 7.013 ( -0.426 1.786 -1.594) 2.432 7.091 ( -0.306 3.634 2.224) 4.272 7.106 ( -5.045 1.701 2.688) 5.964 7.149 ( 1.215 0.160 0.582) 1.357 7.206 ( -2.539 0.922 -2.912) 3.972 7.303 ( -2.839 1.189 1.297) 3.340 7.395 ( -8.001 0.182 -5.552) 9.740 7.443 ( 1.208 1.103 3.914) 4.242 7.514 ( 2.472 0.135 -1.583) 2.938 7.625 ( 0.184 -1.407 2.321) 2.721 7.697 ( -2.990 1.913 -0.451) 3.579 7.749 ( 3.887 2.414 2.107) 5.038 7.816 ( -0.202 -2.068 2.565) 3.301 7.849 ( -2.064 2.354 -1.804) 3.613 7.901 ( 0.031 -0.595 -2.311) 2.387 7.965 ( -0.690 -0.316 2.215) 2.341 8.030 ( 1.920 1.721 0.987) 2.761 8.096 ( -1.332 -0.985 -0.489) 1.728 8.135 ( 0.357 1.647 -3.278) 3.686 8.181 ( 4.376 0.418 3.777) 5.796 8.265 ( -4.693 -0.949 -1.202) 4.937 8.326 ( 4.036 -0.153 0.446) 4.064 8.400 ( 3.083 -4.041 0.273) 5.090 8.454 ( 0.844 -3.412 -7.541) 8.320 8.529 ( 5.249 -2.834 -7.396) 9.502 8.666 ( -5.469 1.521 3.387) 6.610 8.748 ( -0.887 -1.156 -2.602) 2.982 8.797 ( 3.025 3.005 5.914) 7.291 8.827 ( 2.092 -2.826 1.094) 3.682 8.904 ( -0.780 -0.185 2.301) 2.437 8.945 ( 2.003 2.416 -1.346) 3.415 9.015 ( 3.630 2.684 3.411) 5.659 9.089 ( 1.012 1.948 -0.715) 2.309 9.177 ( 2.638 -0.203 6.563) 7.076 9.270 ( 4.879 -0.421 -0.576) 4.931 9.360 ( 1.113 -1.501 2.208) 2.893 9.425 ( 5.691 -0.538 -0.950) 5.795 9.440 ( -0.996 4.053 1.125) 4.323 9.512 ( 1.210 4.588 -3.826) 6.095 9.643 ( 5.817 -0.882 5.542) 8.082 9.710 ( -7.508 0.475 3.675) 8.373 9.742 ( 3.026 1.188 -1.742) 3.688 9.806 ( 2.909 1.647 -3.113) 4.568 9.875 ( 0.805 -3.485 -2.899) 4.604 9.927 ( -2.567 0.863 -4.421) 5.185 10.035 ( 1.585 -2.041 3.157) 4.080 10.055 ( 3.381 -1.682 -1.663) 4.126 10.155 ( 1.166 0.265 0.615) 1.344 10.265 ( -1.189 -0.541 -5.352) 5.509 10.333 ( 0.199 -2.162 3.174) 3.846 10.452 ( -0.496 -5.657 -5.891) 8.182 10.480 ( -2.044 -1.965 3.984) 4.890 10.552 ( -5.788 -2.073 0.502) 6.168 10.630 ( -3.061 -1.492 0.902) 3.523 10.699 ( -2.118 -2.306 2.460) 3.982 10.794 ( -3.777 -2.714 -0.649) 4.696 10.871 ( -3.927 -3.482 -0.628) 5.286 10.952 ( -2.921 -3.621 1.214) 4.808 10.970 ( 2.420 0.353 0.747) 2.557 11.032 ( -3.284 -3.520 3.409) 5.899 11.112 ( -3.130 -3.628 -0.291) 4.800 11.174 ( -10.220 -2.310 4.681) 11.476 11.246 ( -6.310 3.930 -0.199) 7.436 11.335 ( -12.453 -7.279 -3.809) 14.919 11.368 ( -0.022 1.731 -6.669) 6.890 11.439 ( -9.457 -3.044 2.923) 10.357 11.470 ( -12.673 0.225 1.268) 12.738 11.573 ( -7.976 -0.841 0.576) 8.041 11.635 ( -11.699 3.826 -2.178) 12.500 11.707 ( -1.927 -2.524 1.132) 3.371 11.773 ( -5.537 0.003 -1.394) 5.710 11.857 ( 1.419 4.403 1.346) 4.818 11.921 ( -1.541 5.394 -1.570) 5.825 12.031 ( -8.121 4.254 -0.366) 9.175 12.089 ( -8.211 0.522 -3.244) 8.844 12.282 ( -9.943 7.215 3.166) 12.687 12.361 ( -11.491 6.043 -4.603) 13.775 12.664 ( -6.736 -0.491 7.286) 9.935 12.761 ( -8.882 1.148 -0.167) 8.957 12.841 ( -1.049 -0.736 2.723) 3.009 12.910 ( -4.133 -1.027 -1.394) 4.481 12.979 ( -1.762 3.976 -0.748) 4.413 13.027 ( -6.837 0.362 -1.540) 7.018 13.138 ( 0.877 -1.376 3.268) 3.653 13.283 ( 0.785 -0.298 -5.687) 5.748 13.440 ( -3.713 3.182 -2.887) 5.679 13.457 ( -5.348 -2.889 -2.355) 6.518 13.667 ( -1.494 -3.162 10.770) 11.324 13.838 ( -1.550 -4.294 5.965) 7.511 13.901 ( 0.801 -7.052 -4.930) 8.641 13.964 ( 1.284 -3.495 -7.141) 8.054 14.172 ( 1.777 1.191 3.658) 4.237 14.321 ( 0.181 -2.792 -8.589) 9.033 14.462 ( 3.579 2.897 6.935) 8.324 14.557 ( -0.313 -3.762 -0.238) 3.782 14.677 ( -0.673 0.337 1.332) 1.530 14.729 ( 3.973 7.002 -3.411) 8.744 15.055 ( 1.144 -7.421 4.009) 8.512 15.181 ( 1.178 -6.930 -7.026) 9.939 15.470 ( 3.936 0.705 5.836) 7.075 15.574 ( 4.174 1.350 -3.238) 5.453 15.670 ( 2.651 -1.936 3.900) 5.097 15.745 ( 3.632 0.103 1.438) 3.908 15.825 ( 6.036 -1.286 1.144) 6.276 15.909 ( 8.033 -0.503 -4.450) 9.197 16.077 ( 3.572 0.168 2.793) 4.537 16.141 ( 5.651 0.969 -1.126) 5.843 16.278 ( 0.479 2.801 4.116) 5.001 16.440 ( 1.012 2.039 -9.098) 9.379 16.557 ( -4.355 2.817 3.596) 6.311 16.633 ( -3.362 0.965 -2.664) 4.397 16.909 ( 5.239 3.069 2.006) 6.395 16.951 ( 6.889 -1.252 -1.787) 7.226 17.077 ( 1.546 -5.528 5.690) 8.083 17.188 ( 1.061 -4.044 -3.795) 5.647 17.690 ( -5.153 13.629 3.323) 14.945 17.779 ( -5.191 8.893 -4.785) 11.354 18.075 ( -4.767 -1.020 7.734) 9.142 18.215 ( -8.130 -1.511 -4.874) 9.598 18.670 ( -2.131 3.171 3.114) 4.928 18.761 ( -3.634 1.565 -4.560) 6.038 18.827 ( -9.060 1.154 3.341) 9.725 18.922 ( -7.563 -0.195 -4.148) 8.628 19.444 ( -2.150 1.795 4.711) 5.481 19.482 ( -3.042 0.818 4.138) 5.200 19.651 ( -0.168 1.532 -1.464) 2.125 19.765 ( -2.458 -2.929 -6.955) 7.936 20.011 ( 0.397 3.223 1.569) 3.607 20.079 ( 2.093 1.085 -3.971) 4.618 20.467 ( -1.845 -4.297 10.113) 11.142 20.650 ( -7.615 -7.190 -6.524) 12.339 21.900 ( 2.756 1.727 1.667) 3.655 21.939 ( 1.962 1.681 -1.338) 2.910 22.089 ( 1.841 -0.714 0.017) 1.974 22.134 ( 0.773 -1.092 -3.219) 3.486 22.504 ( 1.184 2.119 4.170) 4.825 22.511 ( 0.724 1.867 3.504) 4.036 22.845 ( 3.148 -4.357 -4.142) 6.786 22.860 ( 1.935 -4.877 -5.056) 7.287 23.210 ( 5.356 4.980 4.165) 8.416 23.240 ( 4.389 4.834 1.811) 6.775 23.709 ( 5.788 -7.094 2.610) 9.520 23.792 ( 3.019 -8.960 -4.195) 10.344 25.687 ( 3.187 0.084 0.893) 3.311 25.707 ( 3.020 0.065 -0.725) 3.106 25.827 ( -0.508 -0.023 1.254) 1.354 25.862 ( -2.758 0.431 -1.648) 3.241 26.541 ( -0.613 6.027 1.374) 6.212 26.572 ( -1.027 5.439 -1.343) 5.695 26.897 ( -4.578 -3.248 0.240) 5.619 26.902 ( -4.850 -2.954 -0.193) 5.682 ======================= Grid point 58 (25/30) ======================= q-point: ( 0.44 0.20 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-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 2.98e-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 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 68 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.581 ( 2.351 7.846 1.483) 8.324 2.615 ( -1.236 7.074 -1.090) 7.263 2.954 ( 7.582 0.362 -0.956) 7.650 2.968 ( 6.021 2.370 -1.947) 6.757 3.171 ( 3.068 -3.458 1.272) 4.794 3.196 ( 0.877 -2.911 -1.505) 3.392 3.336 ( 12.817 -1.612 7.361) 14.868 3.441 ( 4.536 -3.422 -0.375) 5.694 3.611 ( 5.485 -3.719 1.771) 6.859 3.662 ( 1.607 -3.684 -1.015) 4.145 3.742 ( -2.078 -2.092 -0.026) 2.949 3.758 ( -2.763 -1.301 -0.151) 3.057 3.823 ( 3.362 1.154 0.261) 3.564 3.865 ( 2.192 3.460 -2.767) 4.943 3.980 ( -0.075 -1.114 2.318) 2.573 4.070 ( -6.978 -1.144 -2.182) 7.400 4.202 ( 2.856 2.740 7.941) 8.873 4.308 ( 1.477 1.112 5.919) 6.201 4.339 ( 3.954 0.120 3.339) 5.177 4.403 ( 2.333 -0.227 -0.204) 2.352 4.436 ( 0.174 -0.604 -2.518) 2.595 4.502 ( -2.871 -2.238 -3.098) 4.780 4.632 ( 0.993 -0.154 -5.612) 5.702 4.661 ( -0.433 -4.545 -5.913) 7.470 4.717 ( 2.537 -4.689 0.033) 5.331 4.750 ( -0.650 -2.637 -0.896) 2.859 4.843 ( -1.196 -4.187 -2.398) 4.971 4.866 ( -1.801 -6.205 -4.218) 7.716 4.988 ( -1.409 -1.493 1.276) 2.417 5.016 ( -3.938 -1.304 -1.449) 4.394 5.086 ( 1.096 -3.630 5.664) 6.816 5.172 ( -6.575 -4.034 -0.279) 7.719 5.211 ( 5.485 2.191 1.870) 6.196 5.240 ( 3.956 0.986 0.438) 4.100 5.297 ( -2.032 3.612 0.097) 4.145 5.318 ( -1.893 3.071 -0.878) 3.712 5.388 ( 3.642 3.362 2.300) 5.464 5.454 ( 3.953 1.369 -2.003) 4.638 5.513 ( -1.172 -1.574 -1.857) 2.702 5.536 ( 1.172 1.654 -1.563) 2.560 5.614 ( 4.427 2.557 4.294) 6.676 5.695 ( 0.947 3.615 0.684) 3.799 5.749 ( 0.144 1.957 -0.179) 1.971 5.828 ( -0.982 2.169 -4.074) 4.719 5.909 ( 5.294 1.074 -0.475) 5.423 5.977 ( 4.025 0.159 0.848) 4.116 6.018 ( 2.120 1.495 0.217) 2.603 6.046 ( -0.161 2.955 0.855) 3.081 6.064 ( -1.190 1.174 3.441) 3.826 6.120 ( -2.628 3.125 4.562) 6.122 6.151 ( 1.388 -0.182 -2.946) 3.262 6.223 ( 1.511 2.777 -4.527) 5.522 6.279 ( -2.968 3.301 0.507) 4.468 6.329 ( -3.194 4.730 1.761) 5.973 6.359 ( 0.998 3.675 -4.700) 6.049 6.393 ( -0.889 6.373 -2.434) 6.880 6.506 ( 5.490 -2.552 3.511) 6.998 6.552 ( 2.270 0.616 2.916) 3.746 6.586 ( 2.255 0.805 1.151) 2.656 6.665 ( -1.821 -0.407 1.009) 2.121 6.738 ( -0.223 -1.865 -0.413) 1.924 6.741 ( 0.306 -2.351 -1.991) 3.096 6.829 ( 3.972 2.020 0.287) 4.465 6.862 ( 1.613 -0.148 -0.298) 1.647 6.916 ( -3.495 3.252 -0.894) 4.857 6.936 ( -4.459 2.076 -2.139) 5.364 7.074 ( 1.727 -0.583 0.566) 1.909 7.118 ( 0.024 2.458 -1.340) 2.800 7.161 ( 3.336 -0.291 0.772) 3.436 7.209 ( -0.204 1.047 -1.226) 1.625 7.300 ( 0.594 3.107 -2.151) 3.826 7.332 ( 0.615 2.270 -4.248) 4.856 7.422 ( -2.232 -0.011 4.002) 4.582 7.503 ( -3.287 -1.807 -1.559) 4.062 7.578 ( -1.029 -0.419 3.289) 3.471 7.644 ( -5.255 1.380 0.159) 5.436 7.773 ( 1.759 1.973 6.814) 7.308 7.826 ( -0.488 1.837 3.428) 3.920 7.896 ( 2.484 1.877 2.672) 4.103 7.924 ( 0.983 0.932 -1.769) 2.228 8.008 ( 4.401 0.600 -0.447) 4.464 8.046 ( 2.182 0.785 -4.081) 4.694 8.101 ( -0.493 2.722 -0.659) 2.844 8.128 ( -1.572 -1.490 -1.094) 2.427 8.208 ( 7.764 4.479 -0.616) 8.985 8.276 ( 1.213 0.202 -4.877) 5.030 8.307 ( -0.989 0.076 3.633) 3.766 8.450 ( -6.300 2.752 -5.099) 8.559 8.547 ( 0.425 -0.566 3.036) 3.117 8.591 ( 2.054 -3.408 3.296) 5.167 8.626 ( 4.281 -1.081 -0.324) 4.427 8.736 ( 4.653 -1.158 -1.223) 4.948 8.790 ( -5.841 -1.102 0.645) 5.979 8.819 ( -5.262 -0.966 -3.678) 6.493 8.960 ( 5.115 -1.367 1.982) 5.653 8.991 ( 0.461 -4.893 -0.053) 4.915 9.069 ( 6.027 1.224 3.065) 6.871 9.116 ( 2.636 0.486 2.090) 3.399 9.262 ( 3.247 -1.068 0.329) 3.434 9.332 ( -4.651 -1.684 -0.042) 4.946 9.419 ( 9.582 1.139 4.499) 10.647 9.502 ( 7.130 2.121 -0.166) 7.440 9.564 ( 5.844 1.268 -0.966) 6.058 9.588 ( -0.342 1.226 1.573) 2.024 9.634 ( 10.237 -0.065 -3.638) 10.864 9.724 ( -3.498 -0.670 -4.063) 5.403 9.772 ( -2.949 -0.273 4.500) 5.387 9.830 ( 1.263 -0.663 -1.810) 2.305 9.912 ( 4.751 0.476 -1.620) 5.043 9.938 ( 0.269 -0.529 -2.748) 2.811 10.024 ( -2.234 1.073 -0.753) 2.590 10.081 ( -7.340 0.462 -4.937) 8.858 10.166 ( 1.034 1.526 0.627) 1.948 10.191 ( 0.737 -1.879 -1.171) 2.334 10.293 ( -3.214 0.615 -0.580) 3.323 10.327 ( -8.054 -3.328 -3.797) 9.505 10.439 ( -0.336 1.338 2.452) 2.814 10.496 ( 1.109 -4.809 -1.939) 5.302 10.573 ( -5.088 -2.975 1.231) 6.021 10.634 ( -6.693 -3.611 -0.890) 7.657 10.703 ( -1.806 -1.468 1.360) 2.696 10.775 ( -6.540 -0.218 -2.186) 6.899 10.893 ( -0.859 -7.350 7.979) 10.883 10.928 ( -3.746 -3.678 7.093) 8.825 10.993 ( -0.696 -3.855 -1.172) 4.089 11.046 ( -6.414 -4.374 -0.078) 7.764 11.095 ( 0.976 -0.822 2.602) 2.897 11.126 ( -1.155 -2.411 5.505) 6.119 11.199 ( -0.827 -0.256 8.602) 8.645 11.228 ( -5.224 0.949 -4.741) 7.118 11.286 ( -3.188 -1.248 1.424) 3.708 11.371 ( -5.757 -0.944 -4.350) 7.277 11.447 ( -3.801 -7.240 -4.683) 9.423 11.483 ( -7.133 -4.035 -6.143) 10.242 11.666 ( 0.260 1.373 0.620) 1.529 11.701 ( -1.555 -0.237 -1.102) 1.920 11.856 ( 2.846 5.584 4.561) 7.751 11.939 ( -1.055 2.354 0.903) 2.733 11.968 ( 2.377 2.991 -1.725) 4.192 12.016 ( 0.461 5.176 -3.534) 6.285 12.108 ( -8.005 7.884 -0.738) 11.260 12.134 ( -9.793 5.037 -0.976) 11.056 12.535 ( -3.099 -3.589 0.710) 4.794 12.582 ( -7.326 -3.969 -1.486) 8.464 12.837 ( 0.986 2.785 7.929) 8.462 12.868 ( -1.857 2.689 5.175) 6.121 12.974 ( 0.748 3.826 -2.479) 4.620 12.984 ( -0.148 3.045 -2.846) 4.171 13.196 ( 4.013 -0.330 0.080) 4.028 13.265 ( -2.633 -1.886 -1.688) 3.652 13.368 ( -2.153 1.733 -8.059) 8.520 13.376 ( -2.872 -2.614 -6.184) 7.302 13.707 ( 4.033 -3.909 12.053) 13.298 13.783 ( -3.588 -4.473 8.591) 10.329 13.929 ( 1.898 -5.165 -2.463) 6.028 13.963 ( -1.332 -3.137 -5.080) 6.117 14.268 ( 5.555 -1.163 -2.038) 6.030 14.327 ( -0.600 -1.661 -5.845) 6.106 14.526 ( 2.287 -1.274 2.767) 3.809 14.551 ( -0.587 -3.157 0.340) 3.229 14.696 ( 2.804 6.550 4.574) 8.467 14.757 ( -1.900 8.259 0.458) 8.487 15.095 ( 3.517 -2.777 -2.703) 5.233 15.165 ( -2.809 -3.002 -7.732) 8.757 15.561 ( 4.711 -1.852 6.445) 8.195 15.620 ( -0.679 -1.833 4.236) 4.665 15.713 ( 3.159 -0.726 -1.736) 3.677 15.766 ( -1.382 -0.400 -2.163) 2.598 15.958 ( 6.856 -1.663 4.048) 8.133 16.041 ( 2.629 0.901 -1.006) 2.956 16.084 ( 0.546 -3.150 1.037) 3.361 16.163 ( -3.100 -0.345 -3.626) 4.783 16.337 ( 5.297 4.655 5.702) 9.069 16.435 ( -3.911 2.917 1.655) 5.152 16.511 ( 1.671 3.098 -3.649) 5.070 16.567 ( -3.370 2.340 -4.023) 5.746 16.990 ( 3.161 1.581 2.945) 4.601 17.024 ( 0.232 0.542 0.757) 0.959 17.117 ( 3.451 -5.138 -0.161) 6.191 17.180 ( -2.197 -4.150 -4.197) 6.298 17.640 ( 0.264 9.832 1.871) 10.012 17.688 ( -4.067 8.253 -2.284) 9.479 18.028 ( 0.207 -3.015 2.911) 4.196 18.083 ( -5.275 -3.362 -1.965) 6.556 18.640 ( -0.193 1.962 3.676) 4.171 18.681 ( -4.522 1.444 3.337) 5.802 18.748 ( 0.651 1.357 -3.287) 3.615 18.801 ( -4.744 0.548 -4.534) 6.585 19.411 ( -0.669 2.049 5.750) 6.141 19.426 ( -2.139 1.760 5.598) 6.246 19.657 ( 1.093 0.193 -5.365) 5.479 19.698 ( -3.178 -1.068 -7.512) 8.227 20.068 ( 3.847 2.453 2.911) 5.412 20.112 ( -0.088 2.123 -1.095) 2.391 20.452 ( 1.065 -5.351 3.666) 6.573 20.519 ( -5.585 -5.964 -2.177) 8.456 21.944 ( 1.687 1.980 1.419) 2.963 21.960 ( 0.116 2.012 0.364) 2.048 22.118 ( 1.221 -1.062 -1.813) 2.430 22.135 ( -0.518 -1.131 -2.946) 3.197 22.519 ( 0.484 2.305 3.773) 4.448 22.522 ( 0.264 2.294 3.527) 4.216 22.888 ( 1.220 -5.071 -4.627) 6.972 22.891 ( 0.905 -5.160 -4.782) 7.094 23.285 ( 2.304 5.647 3.773) 7.172 23.295 ( 1.237 5.625 3.005) 6.496 23.793 ( 2.896 -6.668 0.169) 7.272 23.820 ( 0.034 -7.168 -2.073) 7.462 25.742 ( 2.387 0.902 0.660) 2.635 25.756 ( 1.580 0.824 -0.457) 1.840 25.811 ( -1.046 0.040 0.066) 1.049 25.818 ( -1.586 -0.054 -0.406) 1.638 26.542 ( 0.604 4.095 0.708) 4.200 26.556 ( -0.786 3.885 -0.573) 4.005 26.830 ( -1.928 -2.896 0.122) 3.481 26.833 ( -2.144 -2.830 -0.133) 3.553 ======================= Grid point 63 (26/30) ======================= q-point: ( 0.00 0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-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 2.98e-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 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 40 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.934 ( 0.000 31.939 24.020) 39.963 2.050 ( 0.000 30.029 31.766) 43.713 2.485 ( 0.000 -21.341 12.145) 24.555 2.521 ( 0.000 15.442 -23.642) 28.238 2.570 ( 0.000 -20.068 7.901) 21.567 2.777 ( 0.000 13.839 -13.700) 19.473 2.857 ( 0.000 -4.447 -17.927) 18.470 3.054 ( 0.000 -3.431 -13.280) 13.716 3.106 ( 0.000 33.841 8.776) 34.960 3.239 ( 0.000 -4.807 2.623) 5.476 3.291 ( 0.000 2.185 -8.875) 9.140 3.481 ( 0.000 -15.468 -14.149) 20.963 3.598 ( 0.000 10.111 2.920) 10.524 3.703 ( 0.000 5.928 -5.112) 7.827 3.753 ( 0.000 9.405 5.955) 11.132 3.799 ( 0.000 8.736 9.820) 13.143 3.881 ( 0.000 -1.613 7.240) 7.418 3.962 ( 0.000 -0.288 3.138) 3.151 4.007 ( 0.000 5.451 1.639) 5.693 4.130 ( 0.000 1.551 -9.445) 9.571 4.266 ( 0.000 3.022 -6.521) 7.187 4.339 ( 0.000 2.275 -10.622) 10.863 4.381 ( 0.000 0.137 4.375) 4.377 4.505 ( 0.000 3.727 -0.692) 3.790 4.576 ( 0.000 -6.216 7.618) 9.833 4.634 ( 0.000 -5.799 1.723) 6.050 4.734 ( 0.000 -0.466 -0.112) 0.479 4.775 ( 0.000 0.746 -0.440) 0.866 4.889 ( 0.000 -2.766 8.981) 9.397 4.936 ( 0.000 -12.402 9.739) 15.769 4.977 ( 0.000 -2.568 5.170) 5.773 5.012 ( 0.000 -0.784 1.928) 2.081 5.070 ( 0.000 -2.691 2.912) 3.965 5.098 ( 0.000 -5.027 0.031) 5.027 5.129 ( 0.000 0.934 -2.216) 2.405 5.179 ( 0.000 -2.804 -5.035) 5.763 5.252 ( 0.000 4.165 1.206) 4.336 5.384 ( 0.000 2.401 0.804) 2.532 5.407 ( 0.000 -0.120 -4.486) 4.488 5.427 ( 0.000 -9.974 -7.684) 12.590 5.515 ( 0.000 2.183 -4.833) 5.303 5.597 ( 0.000 -1.913 -4.865) 5.228 5.644 ( 0.000 -1.434 -4.751) 4.963 5.708 ( 0.000 -6.600 -4.293) 7.873 5.731 ( 0.000 3.499 1.863) 3.965 5.827 ( 0.000 -0.928 -1.904) 2.119 5.887 ( 0.000 5.603 -2.657) 6.201 5.911 ( 0.000 1.485 -5.422) 5.622 6.024 ( 0.000 -2.231 1.712) 2.812 6.079 ( 0.000 -5.875 -0.032) 5.875 6.151 ( 0.000 -3.906 1.768) 4.287 6.193 ( 0.000 -6.756 -3.243) 7.494 6.250 ( 0.000 0.839 8.430) 8.472 6.300 ( 0.000 -0.424 3.080) 3.109 6.330 ( 0.000 4.093 1.061) 4.228 6.364 ( 0.000 0.365 0.176) 0.405 6.368 ( 0.000 -3.176 3.509) 4.733 6.448 ( 0.000 -4.239 0.774) 4.309 6.545 ( 0.000 -0.744 -6.530) 6.572 6.575 ( 0.000 -1.273 -4.261) 4.447 6.703 ( 0.000 5.672 1.407) 5.844 6.738 ( 0.000 1.575 -2.259) 2.754 6.871 ( 0.000 3.147 10.434) 10.898 6.904 ( 0.000 -0.035 0.053) 0.063 6.934 ( 0.000 -0.263 -1.790) 1.809 6.982 ( 0.000 -2.003 0.338) 2.032 7.075 ( 0.000 1.306 -5.387) 5.543 7.133 ( 0.000 -3.869 -8.926) 9.729 7.202 ( 0.000 -3.553 6.341) 7.269 7.228 ( 0.000 -5.885 2.036) 6.227 7.376 ( 0.000 -0.822 -1.341) 1.572 7.422 ( 0.000 -1.051 -4.495) 4.616 7.549 ( 0.000 2.161 0.687) 2.267 7.576 ( 0.000 -0.310 -2.922) 2.938 7.708 ( 0.000 2.655 1.205) 2.915 7.758 ( 0.000 -1.294 -0.190) 1.308 7.894 ( 0.000 4.909 3.509) 6.035 7.924 ( 0.000 2.851 -0.778) 2.955 8.001 ( 0.000 2.354 6.905) 7.296 8.060 ( 0.000 0.756 5.969) 6.017 8.095 ( 0.000 4.710 0.500) 4.736 8.134 ( 0.000 3.885 6.546) 7.612 8.163 ( 0.000 -1.116 -3.460) 3.636 8.220 ( 0.000 -0.989 2.989) 3.148 8.292 ( 0.000 4.809 -0.869) 4.887 8.331 ( 0.000 0.897 -2.519) 2.674 8.372 ( 0.000 -3.648 -1.160) 3.828 8.389 ( 0.000 -2.524 -2.291) 3.408 8.528 ( 0.000 -0.500 4.284) 4.313 8.552 ( 0.000 -0.947 1.510) 1.783 8.597 ( 0.000 0.327 0.243) 0.408 8.657 ( 0.000 -3.492 0.565) 3.538 8.703 ( 0.000 1.791 -1.341) 2.237 8.747 ( 0.000 3.484 -2.398) 4.229 8.798 ( 0.000 -6.863 -1.882) 7.116 8.825 ( 0.000 -3.410 -2.476) 4.214 9.093 ( 0.000 1.583 -1.202) 1.988 9.111 ( 0.000 1.776 -1.641) 2.418 9.169 ( 0.000 0.312 8.197) 8.203 9.195 ( 0.000 -3.226 5.344) 6.243 9.321 ( 0.000 0.378 2.963) 2.987 9.383 ( 0.000 3.142 -3.279) 4.541 9.388 ( 0.000 -3.473 -0.987) 3.611 9.425 ( 0.000 4.604 -2.057) 5.042 9.476 ( 0.000 -0.996 1.872) 2.121 9.525 ( 0.000 -2.803 -1.015) 2.981 9.552 ( 0.000 -1.545 -3.695) 4.005 9.596 ( 0.000 -2.851 -5.536) 6.227 9.829 ( 0.000 5.055 1.457) 5.261 9.941 ( 0.000 -3.334 -8.346) 8.987 10.129 ( 0.000 9.281 3.340) 9.864 10.183 ( 0.000 1.560 1.719) 2.322 10.306 ( 0.000 3.036 3.525) 4.653 10.329 ( 0.000 4.044 0.467) 4.070 10.395 ( 0.000 -1.597 2.820) 3.241 10.478 ( 0.000 -10.999 -1.198) 11.064 10.559 ( 0.000 7.330 -1.568) 7.496 10.635 ( 0.000 -1.695 2.504) 3.024 10.696 ( 0.000 -1.495 1.379) 2.034 10.748 ( 0.000 -4.548 0.319) 4.559 10.856 ( 0.000 1.063 0.111) 1.069 10.906 ( 0.000 -1.011 -0.020) 1.012 10.922 ( 0.000 0.402 -4.337) 4.356 10.979 ( 0.000 -5.739 -6.138) 8.403 11.065 ( 0.000 -3.089 3.168) 4.424 11.126 ( 0.000 -7.065 -2.571) 7.518 11.346 ( 0.000 2.646 2.446) 3.603 11.426 ( 0.000 -5.256 -2.930) 6.017 11.592 ( 0.000 5.050 4.567) 6.809 11.638 ( 0.000 -0.071 3.750) 3.751 11.743 ( 0.000 5.688 5.574) 7.964 11.773 ( 0.000 -0.153 4.969) 4.971 11.836 ( 0.000 5.427 -1.226) 5.564 11.922 ( 0.000 -3.735 -0.747) 3.809 11.966 ( 0.000 5.448 -5.402) 7.672 12.014 ( 0.000 -0.795 -0.125) 0.805 12.080 ( 0.000 2.188 -8.793) 9.061 12.150 ( 0.000 -3.569 -8.135) 8.884 12.470 ( 0.000 15.838 1.024) 15.871 12.492 ( 0.000 17.219 -0.624) 17.230 12.679 ( 0.000 3.447 1.893) 3.932 12.702 ( 0.000 8.497 2.468) 8.848 12.735 ( 0.000 1.153 3.583) 3.764 12.802 ( 0.000 -5.194 -0.195) 5.198 12.858 ( 0.000 -0.769 3.543) 3.625 12.948 ( 0.000 1.860 -1.525) 2.405 13.104 ( 0.000 -5.697 1.942) 6.019 13.148 ( 0.000 -5.958 -1.342) 6.107 13.369 ( 0.000 -5.392 4.448) 6.990 13.408 ( 0.000 -7.382 0.952) 7.443 13.577 ( 0.000 2.753 5.641) 6.277 13.629 ( 0.000 -1.837 6.363) 6.623 13.773 ( 0.000 3.572 1.573) 3.904 13.805 ( 0.000 2.446 1.337) 2.787 13.850 ( 0.000 -3.121 -3.953) 5.037 13.992 ( 0.000 -14.628 -11.237) 18.446 14.270 ( 0.000 4.728 3.407) 5.828 14.352 ( 0.000 -1.415 -2.310) 2.709 14.484 ( 0.000 -5.155 1.063) 5.263 14.568 ( 0.000 -9.560 -5.340) 10.950 14.966 ( 0.000 1.708 5.150) 5.426 15.037 ( 0.000 -5.386 5.130) 7.438 15.095 ( 0.000 -0.787 7.664) 7.704 15.101 ( 0.000 -0.483 -2.762) 2.804 15.207 ( 0.000 -1.532 -4.409) 4.668 15.276 ( 0.000 -8.276 -6.958) 10.812 15.496 ( 0.000 -0.655 2.110) 2.209 15.524 ( 0.000 -3.502 0.933) 3.624 15.644 ( 0.000 4.032 1.804) 4.417 15.689 ( 0.000 0.390 3.912) 3.932 15.760 ( 0.000 3.571 -4.194) 5.508 15.824 ( 0.000 -2.062 -4.563) 5.007 16.114 ( 0.000 0.872 0.543) 1.027 16.139 ( 0.000 -1.106 -1.381) 1.769 16.269 ( 0.000 1.863 2.883) 3.432 16.301 ( 0.000 -1.302 0.082) 1.304 16.952 ( 0.000 3.682 4.428) 5.759 16.988 ( 0.000 -0.069 3.285) 3.286 17.136 ( 0.000 4.960 -2.268) 5.454 17.175 ( 0.000 1.133 -3.566) 3.742 18.112 ( 0.000 7.541 7.075) 10.340 18.199 ( 0.000 -0.767 4.011) 4.084 18.635 ( 0.000 5.370 -11.278) 12.492 18.684 ( 0.000 0.827 -9.714) 9.749 18.918 ( 0.000 7.167 2.574) 7.616 19.000 ( 0.000 -1.545 -5.161) 5.388 19.356 ( 0.000 -0.083 0.335) 0.345 19.368 ( 0.000 -0.945 -0.635) 1.139 19.500 ( 0.000 1.284 1.482) 1.961 19.520 ( 0.000 0.067 0.571) 0.575 19.620 ( 0.000 0.793 1.358) 1.573 19.703 ( 0.000 -6.320 -4.905) 8.000 20.167 ( 0.000 7.973 17.397) 19.137 20.315 ( 0.000 -7.265 15.099) 16.756 20.559 ( 0.000 7.295 -19.144) 20.487 20.664 ( 0.000 -4.267 -15.490) 16.067 21.825 ( 0.000 0.873 0.970) 1.305 21.838 ( 0.000 -0.447 -0.154) 0.473 21.909 ( 0.000 0.027 0.270) 0.271 21.913 ( 0.000 -0.334 -0.066) 0.340 22.468 ( 0.000 4.146 10.401) 11.197 22.583 ( 0.000 -8.378 14.862) 17.061 22.695 ( 0.000 7.222 -6.946) 10.020 22.864 ( 0.000 -8.541 -7.271) 11.216 22.947 ( 0.000 2.669 2.113) 3.404 23.009 ( 0.000 -2.407 -2.807) 3.698 23.084 ( 0.000 -2.356 1.599) 2.847 23.105 ( 0.000 -3.861 -0.330) 3.876 25.531 ( 0.000 0.206 1.426) 1.440 25.544 ( 0.000 -0.981 0.575) 1.137 25.895 ( 0.000 3.361 2.013) 3.917 25.961 ( 0.000 -3.681 -3.477) 5.063 26.821 ( 0.000 9.478 4.484) 10.485 26.944 ( 0.000 0.461 -3.004) 3.039 27.001 ( 0.000 0.187 -1.764) 1.774 27.070 ( 0.000 -3.586 -4.165) 5.497 ======================= Grid point 64 (27/30) ======================= q-point: ( 0.11 0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-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 2.98e-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 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 68 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.995 ( 12.986 31.331 17.551) 38.187 2.343 ( 17.107 21.710 18.918) 33.495 2.526 ( 7.678 13.711 -15.104) 21.796 2.566 ( 9.613 -9.944 8.854) 16.422 2.773 ( 11.041 -5.720 -2.218) 12.631 2.874 ( 9.464 -8.217 -3.885) 13.122 2.958 ( 10.575 9.728 -8.121) 16.505 3.116 ( 4.135 14.569 0.580) 15.156 3.198 ( 8.024 4.530 -4.988) 10.478 3.272 ( 5.826 -1.791 0.773) 6.143 3.318 ( 2.021 -0.444 -1.734) 2.699 3.547 ( 7.347 -13.538 -14.555) 21.192 3.602 ( 1.639 7.279 3.995) 8.464 3.752 ( 4.968 3.524 -4.915) 7.827 3.784 ( -2.452 2.398 10.780) 11.312 3.868 ( 1.147 -3.223 5.232) 6.251 3.978 ( 10.968 6.226 3.324) 13.043 4.000 ( 5.138 2.312 -0.512) 5.657 4.057 ( 7.292 3.554 5.955) 10.063 4.186 ( 2.542 0.872 -7.743) 8.196 4.234 ( -1.769 3.294 -7.570) 8.443 4.307 ( 1.692 3.544 -8.531) 9.391 4.364 ( 1.953 1.499 2.715) 3.665 4.473 ( -0.617 -1.656 -3.202) 3.657 4.617 ( 1.021 -3.901 3.657) 5.444 4.667 ( -2.360 -1.365 -0.036) 2.726 4.749 ( 2.339 -3.071 7.297) 8.255 4.818 ( 4.763 -4.423 3.181) 7.236 4.873 ( 1.063 -2.485 3.552) 4.464 4.955 ( 5.066 -5.182 4.532) 8.548 5.008 ( 0.494 3.318 -0.584) 3.405 5.086 ( 5.097 -2.543 1.316) 5.847 5.096 ( 2.998 -1.291 2.074) 3.867 5.150 ( 5.820 -3.960 4.249) 8.222 5.183 ( 3.495 0.068 2.962) 4.582 5.229 ( 3.008 -5.004 -0.778) 5.890 5.283 ( 2.455 2.795 1.904) 4.179 5.352 ( -0.932 -0.262 -3.024) 3.175 5.398 ( 2.056 -1.225 -5.242) 5.763 5.451 ( 2.409 -8.070 -4.814) 9.701 5.547 ( 1.772 3.259 -4.865) 6.118 5.590 ( 1.386 1.333 -1.695) 2.563 5.634 ( 0.116 1.203 -2.859) 3.104 5.725 ( 1.814 -6.592 -4.493) 8.181 5.774 ( 3.143 2.635 -1.616) 4.408 5.813 ( -1.906 1.386 -0.304) 2.377 5.873 ( -2.520 2.178 -0.951) 3.464 5.915 ( -0.956 -1.779 -4.744) 5.156 6.007 ( 0.147 1.278 3.236) 3.482 6.050 ( -1.380 -2.041 0.557) 2.526 6.137 ( -1.021 -0.397 -0.645) 1.271 6.181 ( -2.672 -4.390 -0.808) 5.202 6.242 ( 1.322 -0.503 -0.589) 1.532 6.267 ( -0.442 -0.021 0.936) 1.035 6.342 ( -2.046 -1.831 0.015) 2.746 6.353 ( 1.447 -2.618 1.948) 3.570 6.434 ( -2.063 -0.521 3.493) 4.090 6.488 ( 5.231 -1.971 2.404) 6.085 6.562 ( 1.055 0.694 -0.511) 1.362 6.589 ( 0.287 -0.271 -1.252) 1.313 6.658 ( -5.253 8.121 1.242) 9.751 6.735 ( -2.571 0.066 -3.857) 4.636 6.803 ( -0.831 -3.216 -0.271) 3.333 6.827 ( -0.386 -3.669 -2.605) 4.516 6.960 ( 0.130 2.496 -2.076) 3.250 6.996 ( 2.532 0.030 -3.083) 3.990 7.081 ( 0.595 1.599 -0.493) 1.776 7.111 ( -0.044 0.202 -3.790) 3.795 7.236 ( 2.681 -2.781 2.433) 4.565 7.250 ( 2.844 -6.003 1.697) 6.856 7.391 ( -1.037 1.034 -0.148) 1.472 7.424 ( -2.107 -1.674 -0.737) 2.790 7.555 ( -0.850 -0.309 1.546) 1.791 7.568 ( -1.358 -1.266 0.890) 2.059 7.694 ( -1.134 1.467 2.692) 3.269 7.711 ( -2.132 0.719 1.947) 2.975 7.821 ( -4.778 4.352 3.088) 7.163 7.889 ( -4.597 -0.779 -0.722) 4.718 7.962 ( -7.108 1.074 2.680) 7.672 7.987 ( -4.137 -1.305 0.309) 4.349 8.078 ( -0.669 7.565 5.040) 9.115 8.109 ( -1.591 5.094 -1.774) 5.624 8.125 ( -2.450 3.593 -2.218) 4.882 8.215 ( -3.075 -0.192 -3.286) 4.505 8.247 ( -2.181 -1.103 -1.662) 2.955 8.250 ( -4.676 -1.990 -0.711) 5.132 8.363 ( -2.077 -2.204 3.896) 4.935 8.398 ( -2.858 -6.044 0.998) 6.760 8.478 ( -0.233 4.411 3.773) 5.809 8.566 ( 6.620 -0.458 -0.405) 6.648 8.620 ( -3.037 -0.146 3.658) 4.757 8.668 ( -5.081 -0.605 0.340) 5.128 8.714 ( 3.582 -5.313 -3.597) 7.349 8.738 ( -1.523 -3.573 -6.314) 7.413 8.849 ( 5.313 1.894 2.537) 6.184 8.888 ( 6.484 -0.761 0.475) 6.546 9.044 ( -0.427 2.780 1.889) 3.388 9.086 ( -0.181 1.424 -2.006) 2.467 9.235 ( 0.444 5.099 2.424) 5.663 9.282 ( 2.713 -0.630 3.592) 4.545 9.318 ( 3.948 2.197 1.070) 4.643 9.364 ( -0.236 1.712 0.571) 1.820 9.418 ( 2.353 -1.958 -0.559) 3.112 9.467 ( 0.543 -0.934 -2.473) 2.698 9.504 ( 3.067 0.418 2.081) 3.730 9.553 ( 3.903 -4.094 0.638) 5.692 9.611 ( 5.800 -1.032 -2.918) 6.574 9.674 ( 7.496 -1.778 -6.876) 10.326 9.866 ( 1.359 1.763 3.495) 4.144 9.945 ( 0.197 -3.839 -4.868) 6.202 10.100 ( -3.555 6.678 2.772) 8.057 10.198 ( -2.880 -0.435 0.572) 2.968 10.279 ( -1.863 4.813 2.388) 5.686 10.282 ( -1.910 3.803 -1.220) 4.427 10.369 ( -1.861 -2.129 1.437) 3.172 10.402 ( -4.743 -4.828 -3.846) 7.785 10.563 ( -4.917 2.107 2.726) 6.004 10.610 ( -0.412 2.102 0.968) 2.350 10.676 ( -1.803 0.096 -2.408) 3.010 10.714 ( -2.744 -3.309 7.662) 8.785 10.819 ( -1.586 -2.254 -7.068) 7.586 10.869 ( -5.177 -4.663 -3.178) 7.658 10.928 ( 0.857 -1.964 0.691) 2.251 10.956 ( 1.159 -2.521 -0.966) 2.938 11.038 ( -1.452 -2.706 1.629) 3.476 11.092 ( -3.300 -5.225 -2.288) 6.590 11.315 ( -2.988 1.851 2.824) 4.509 11.392 ( -5.078 -4.065 -1.321) 6.637 11.562 ( -2.823 3.923 3.887) 6.202 11.608 ( 0.402 2.225 1.630) 2.787 11.699 ( -5.224 0.267 2.579) 5.832 11.740 ( -2.306 -2.121 0.445) 3.164 11.795 ( -4.077 3.733 -1.487) 5.725 11.821 ( -7.376 0.738 -3.810) 8.334 12.039 ( 1.847 3.336 1.387) 4.058 12.072 ( 1.271 0.168 -0.922) 1.579 12.107 ( 2.786 5.412 -0.833) 6.144 12.170 ( 0.675 -2.261 -4.665) 5.227 12.374 ( -9.116 10.414 2.207) 14.015 12.431 ( -6.953 3.130 -3.072) 8.221 12.563 ( -5.338 8.018 3.718) 10.326 12.607 ( -2.203 6.654 0.318) 7.017 12.803 ( -2.228 1.024 5.227) 5.774 12.844 ( 2.474 0.271 0.851) 2.630 12.888 ( 3.027 1.378 0.327) 3.342 12.989 ( 2.978 -2.129 -6.056) 7.077 13.130 ( 2.312 0.561 1.863) 3.021 13.193 ( 1.425 -2.433 -3.387) 4.407 13.350 ( -2.936 -5.092 2.649) 6.447 13.360 ( -4.318 -3.986 1.062) 5.972 13.612 ( -1.092 0.898 3.309) 3.599 13.658 ( -2.398 0.151 3.669) 4.386 13.717 ( -2.981 -3.447 0.415) 4.576 13.762 ( -5.101 0.529 0.970) 5.219 13.780 ( 1.033 -1.054 -0.252) 1.497 13.941 ( -4.302 -13.054 -8.732) 16.283 14.284 ( 0.932 4.965 3.332) 6.051 14.356 ( 0.398 1.558 -2.045) 2.602 14.493 ( 0.043 -4.931 0.056) 4.932 14.560 ( -1.600 -6.698 -4.358) 8.150 14.820 ( -11.490 0.492 5.991) 12.967 14.889 ( -9.325 -5.736 4.054) 11.675 14.934 ( -11.696 -1.561 0.791) 11.826 14.976 ( -12.411 -6.097 -1.485) 13.907 15.291 ( 9.218 1.147 1.378) 9.391 15.351 ( 5.229 -3.833 -2.422) 6.921 15.492 ( 2.419 -0.917 0.515) 2.638 15.534 ( 2.534 -4.566 -2.026) 5.601 15.699 ( 2.961 3.206 0.483) 4.391 15.711 ( 2.349 2.638 -0.051) 3.533 15.848 ( 6.852 1.587 -1.270) 7.147 15.865 ( 7.639 0.657 -3.046) 8.250 16.230 ( 4.028 3.721 5.627) 7.857 16.316 ( 9.819 -3.810 2.989) 10.948 16.353 ( 10.733 1.060 -2.852) 11.156 16.409 ( 13.052 -3.784 -4.136) 14.205 16.925 ( -3.895 4.862 5.989) 8.641 16.970 ( -2.173 0.715 6.074) 6.490 17.079 ( -4.702 3.625 -4.282) 7.320 17.128 ( -2.811 -0.637 -4.588) 5.418 18.094 ( -2.031 7.480 6.216) 9.936 18.175 ( -2.575 0.172 3.274) 4.169 18.505 ( -12.317 7.107 -6.353) 15.575 18.588 ( -9.248 -0.695 -8.631) 12.669 18.884 ( -2.801 7.705 2.932) 8.707 18.972 ( -3.258 -1.563 -4.988) 6.159 19.253 ( -9.507 1.109 0.356) 9.578 19.286 ( -9.319 -1.815 -1.994) 9.702 19.529 ( 0.142 2.234 3.033) 3.770 19.551 ( -2.034 2.448 3.140) 4.471 19.568 ( 3.669 1.230 1.074) 4.015 19.651 ( 0.589 -4.897 -2.349) 5.463 20.190 ( -2.582 6.833 9.457) 11.950 20.309 ( -3.152 -3.567 3.142) 5.703 20.523 ( -4.787 1.035 -7.166) 8.680 20.611 ( -1.013 -7.511 -10.584) 13.018 21.834 ( 1.320 1.278 1.166) 2.176 21.852 ( 1.674 -0.391 -0.155) 1.726 21.966 ( 4.569 0.385 -0.406) 4.603 21.981 ( 5.485 -1.083 -1.368) 5.756 22.476 ( 1.053 3.275 9.201) 9.824 22.546 ( -2.187 -3.218 11.565) 12.202 22.691 ( 0.351 2.558 -6.715) 7.195 22.789 ( -4.038 -6.297 -7.245) 10.414 23.038 ( 7.335 5.252 3.242) 9.586 23.080 ( 6.604 2.698 -0.510) 7.152 23.215 ( 9.833 -6.853 0.430) 11.994 23.243 ( 11.927 -8.928 -1.761) 15.002 25.557 ( 2.569 0.234 1.329) 2.902 25.570 ( 2.553 -0.954 0.482) 2.767 25.882 ( -1.193 2.920 1.677) 3.572 25.941 ( -1.941 -3.216 -3.178) 4.920 26.796 ( -2.437 9.422 3.312) 10.280 26.888 ( -5.201 5.775 -3.858) 8.677 26.968 ( -3.096 -3.994 0.830) 5.121 27.025 ( -4.299 -4.411 -3.099) 6.895 ======================= Grid point 65 (28/30) ======================= q-point: ( 0.22 0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-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 2.98e-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 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 68 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.355 ( 20.633 20.559 9.375) 30.598 2.593 ( 11.245 5.655 0.200) 12.588 2.721 ( 10.115 8.528 0.683) 13.248 2.808 ( 10.550 17.192 -0.927) 20.192 2.940 ( 6.671 6.479 -3.994) 10.121 3.031 ( 5.858 13.671 -6.784) 16.347 3.175 ( 6.813 -1.499 3.226) 7.686 3.221 ( 8.402 -1.716 1.325) 8.677 3.334 ( 6.738 -9.944 0.369) 12.018 3.387 ( 7.758 -12.301 7.805) 16.505 3.463 ( 7.679 5.774 -4.022) 10.416 3.647 ( 0.502 -0.009 -2.409) 2.461 3.708 ( 7.653 -1.569 4.761) 9.149 3.792 ( 6.482 -8.363 -0.727) 10.606 3.860 ( 6.143 -2.054 -2.733) 7.030 3.915 ( 6.190 -8.303 -1.781) 10.508 4.017 ( 2.873 7.642 -0.001) 8.164 4.069 ( -1.539 4.359 -2.963) 5.491 4.155 ( 0.164 -3.004 4.661) 5.547 4.236 ( 5.234 -4.409 -4.137) 7.997 4.375 ( 8.024 4.812 -0.411) 9.365 4.411 ( 4.353 4.841 3.549) 7.414 4.463 ( 5.187 -4.612 3.139) 7.618 4.522 ( 6.534 0.308 -4.511) 7.946 4.612 ( 2.443 0.846 -0.506) 2.635 4.660 ( 3.949 -1.599 -3.503) 5.515 4.788 ( 0.991 0.188 6.334) 6.413 4.876 ( 0.934 -5.002 -0.028) 5.089 4.927 ( 1.807 3.313 5.753) 6.880 5.025 ( 3.000 -0.431 1.915) 3.586 5.080 ( 2.426 0.815 0.619) 2.633 5.096 ( 0.777 -0.491 2.676) 2.829 5.141 ( 1.541 4.152 -0.918) 4.523 5.203 ( 0.765 -2.890 -5.037) 5.857 5.239 ( 1.341 -5.923 -1.387) 6.229 5.350 ( 7.933 -5.722 3.943) 10.547 5.388 ( 5.465 -1.219 -1.816) 5.887 5.434 ( 9.325 1.932 -0.665) 9.546 5.477 ( 1.579 -0.833 -0.300) 1.811 5.510 ( 0.525 -1.457 1.624) 2.244 5.556 ( 2.604 -0.506 2.234) 3.468 5.602 ( 1.753 -3.072 -0.425) 3.562 5.696 ( 0.110 1.178 -4.814) 4.957 5.732 ( -0.726 -1.157 -5.438) 5.607 5.806 ( 1.514 4.166 4.388) 6.237 5.850 ( 5.561 0.452 1.521) 5.783 5.861 ( 7.998 1.327 1.059) 8.176 5.903 ( 2.348 -1.182 -0.464) 2.669 6.025 ( -0.715 6.979 -2.427) 7.424 6.057 ( -0.733 2.271 -4.206) 4.835 6.127 ( -0.913 -2.804 -2.083) 3.610 6.158 ( 3.408 0.040 -0.506) 3.446 6.208 ( -1.046 1.831 1.415) 2.539 6.240 ( -2.111 -2.840 -0.516) 3.576 6.330 ( 2.255 -3.013 -3.600) 5.208 6.357 ( 1.224 -3.511 0.168) 3.722 6.418 ( 0.040 2.514 0.038) 2.514 6.492 ( -2.017 -2.878 -0.126) 3.517 6.529 ( -0.348 2.200 -3.403) 4.067 6.590 ( 0.983 -1.692 -1.389) 2.400 6.689 ( 3.683 2.701 1.043) 4.685 6.711 ( 2.298 1.479 -0.865) 2.866 6.889 ( 3.077 -0.777 -0.280) 3.186 6.904 ( 0.737 -1.110 -1.572) 2.061 6.951 ( 2.725 4.017 0.067) 4.855 7.014 ( 2.417 0.377 -4.693) 5.292 7.096 ( 0.444 -0.297 0.671) 0.857 7.131 ( 1.269 -1.003 -1.646) 2.308 7.240 ( -3.550 3.154 3.688) 6.012 7.308 ( -1.134 1.638 -0.948) 2.207 7.324 ( -1.154 -1.708 2.110) 2.949 7.401 ( 1.709 -4.829 -3.346) 6.119 7.501 ( -2.473 3.177 8.196) 9.131 7.574 ( 0.651 -2.537 5.582) 6.166 7.646 ( -2.421 3.998 1.187) 4.822 7.707 ( 1.730 -0.810 6.871) 7.132 7.736 ( -2.751 2.425 -0.203) 3.673 7.810 ( -1.552 -2.527 -0.838) 3.082 7.873 ( -3.162 1.577 -4.697) 5.878 7.933 ( -4.490 -1.607 -1.310) 4.945 8.011 ( -2.731 2.298 0.525) 3.608 8.048 ( -3.821 -0.132 -2.591) 4.618 8.088 ( -2.093 2.139 0.318) 3.009 8.156 ( -2.308 -2.162 0.029) 3.163 8.189 ( -1.650 -0.349 -6.058) 6.288 8.216 ( -2.410 -0.573 -4.011) 4.714 8.302 ( -1.966 1.591 3.486) 4.307 8.363 ( -0.836 -2.838 0.086) 2.960 8.420 ( -6.202 -2.309 1.269) 6.738 8.479 ( -5.042 -5.973 -1.019) 7.883 8.655 ( 5.267 4.823 5.422) 8.966 8.704 ( 5.676 0.451 1.417) 5.868 8.799 ( 3.509 -2.457 0.315) 4.295 8.822 ( 4.078 -4.319 -0.846) 6.000 8.905 ( -0.211 0.420 1.630) 1.696 8.926 ( -1.000 -1.111 0.869) 1.729 9.068 ( 2.596 9.520 1.604) 9.997 9.102 ( 1.813 5.850 -0.791) 6.175 9.207 ( -2.719 2.009 2.281) 4.078 9.273 ( -1.277 -1.199 -2.225) 2.832 9.359 ( 1.508 4.576 0.473) 4.842 9.409 ( 0.636 0.938 -2.422) 2.674 9.469 ( 4.408 -0.295 -1.110) 4.555 9.522 ( 3.230 -0.944 -0.875) 3.478 9.563 ( 1.405 -1.878 1.915) 3.028 9.609 ( 4.211 -7.368 0.860) 8.530 9.722 ( 1.756 2.446 -1.542) 3.383 9.797 ( 3.158 1.727 -4.160) 5.501 9.881 ( 2.646 -0.593 2.724) 3.844 9.937 ( -2.531 -3.006 -0.338) 3.944 10.010 ( -1.985 -1.868 0.069) 2.727 10.040 ( -9.177 -1.410 -3.314) 9.859 10.233 ( -2.913 2.512 4.347) 5.805 10.248 ( -2.524 3.572 3.649) 5.696 10.314 ( -1.968 1.470 0.751) 2.568 10.373 ( -2.220 -4.782 4.114) 6.688 10.506 ( -4.689 4.227 -2.820) 6.914 10.534 ( 2.025 -0.718 -0.681) 2.254 10.627 ( -2.055 -6.103 0.063) 6.440 10.731 ( 0.046 1.833 -2.973) 3.493 10.797 ( -0.184 -1.172 -0.733) 1.395 10.840 ( 2.401 -5.247 -3.947) 6.991 10.930 ( -1.209 2.131 3.863) 4.575 10.979 ( -0.636 0.327 -1.268) 1.456 11.009 ( -2.632 -0.252 -0.856) 2.779 11.039 ( -0.315 -4.992 -1.655) 5.269 11.261 ( -2.566 -5.040 3.394) 6.596 11.298 ( -4.097 -7.926 2.087) 9.163 11.469 ( -6.907 5.041 3.896) 9.397 11.551 ( -8.167 -0.836 0.261) 8.214 11.579 ( -5.411 5.831 -1.356) 8.069 11.651 ( -6.786 1.051 -4.338) 8.122 11.714 ( -4.105 0.074 -0.626) 4.153 11.746 ( -2.744 -2.846 -2.268) 4.557 11.912 ( -13.556 3.064 -0.507) 13.907 11.964 ( -14.059 -1.269 -2.708) 14.374 12.068 ( -8.428 6.667 4.688) 11.724 12.116 ( -3.199 4.558 1.809) 5.855 12.219 ( -8.355 -0.454 -1.589) 8.517 12.244 ( -7.773 -0.948 -1.498) 7.973 12.537 ( -0.405 8.438 5.773) 10.232 12.621 ( -2.198 2.563 0.809) 3.471 12.765 ( -1.807 4.530 4.988) 6.976 12.848 ( -0.932 0.216 2.685) 2.850 12.917 ( -1.528 1.191 -4.530) 4.927 12.972 ( -2.929 -1.399 -6.168) 6.970 13.101 ( -9.488 0.858 0.473) 9.539 13.136 ( -3.888 -1.812 -3.600) 5.600 13.228 ( -7.913 -0.314 2.369) 8.266 13.280 ( -2.141 -2.737 -0.632) 3.532 13.490 ( -9.458 -2.442 1.993) 9.970 13.539 ( -7.710 -4.084 -2.331) 9.031 13.690 ( -0.330 0.688 3.130) 3.222 13.716 ( 2.063 0.505 -0.221) 2.135 13.831 ( 0.842 -2.548 -1.149) 2.919 13.897 ( -1.713 -7.205 -5.455) 9.198 14.284 ( -1.406 6.089 1.982) 6.556 14.335 ( -2.026 4.439 -2.314) 5.400 14.452 ( -2.828 -4.956 -0.207) 5.709 14.489 ( -4.799 -6.355 -2.655) 8.394 14.682 ( -0.417 3.992 5.977) 7.200 14.759 ( 0.557 3.617 0.013) 3.660 14.829 ( 1.082 -8.566 5.237) 10.098 14.921 ( 3.730 -11.321 -2.540) 12.188 15.438 ( 3.869 1.300 3.048) 5.094 15.456 ( 7.533 -0.224 2.411) 7.912 15.564 ( 3.586 -1.276 -0.693) 3.869 15.618 ( 4.849 -5.746 -3.037) 8.109 15.759 ( 4.340 3.954 -0.042) 5.871 15.785 ( 5.638 1.660 -2.406) 6.351 16.016 ( 9.041 2.692 -0.293) 9.438 16.035 ( 8.304 1.453 -2.374) 8.758 16.293 ( 3.372 3.528 4.003) 6.312 16.392 ( 2.105 -5.287 -3.973) 6.940 16.584 ( 6.601 1.692 1.333) 6.943 16.644 ( 6.462 -3.477 -3.577) 8.163 16.836 ( -1.137 5.275 6.930) 8.783 16.914 ( -0.982 -0.954 4.158) 4.378 17.023 ( -0.827 3.400 -1.324) 3.741 17.105 ( -0.114 -3.613 -4.585) 5.838 18.030 ( -4.627 7.371 3.860) 9.520 18.096 ( -5.773 3.841 0.956) 7.000 18.237 ( -13.746 6.281 1.872) 15.228 18.368 ( -12.548 -4.250 -6.806) 14.894 18.824 ( -3.549 6.186 2.112) 7.439 18.883 ( -5.427 0.051 -2.904) 6.155 19.051 ( -11.015 0.998 -0.181) 11.062 19.073 ( -10.562 -1.072 -1.626) 10.740 19.510 ( -0.828 2.326 4.740) 5.344 19.534 ( -1.171 0.342 3.945) 4.130 19.659 ( 3.654 1.194 -1.641) 4.180 19.697 ( 2.002 -3.141 -3.507) 5.116 20.105 ( -3.087 4.615 0.318) 5.561 20.160 ( -8.729 -1.143 -3.525) 9.483 20.461 ( -2.502 1.233 5.451) 6.123 20.582 ( -3.509 -10.490 -5.275) 12.255 21.878 ( 3.058 1.827 1.567) 3.891 21.902 ( 3.257 -0.365 -0.085) 3.279 22.044 ( 3.057 0.799 -1.047) 3.328 22.070 ( 3.242 -1.682 -2.664) 4.521 22.511 ( 2.287 2.198 7.529) 8.170 22.532 ( 0.558 0.519 8.092) 8.127 22.717 ( 2.145 -1.426 -6.926) 7.389 22.749 ( -0.148 -4.177 -7.369) 8.472 23.191 ( 8.053 6.541 4.527) 11.320 23.225 ( 7.719 5.054 2.363) 9.524 23.406 ( 9.327 -7.252 -0.076) 11.815 23.459 ( 9.575 -10.963 -3.752) 15.031 25.621 ( 3.810 0.401 1.075) 3.978 25.632 ( 3.754 -0.724 0.223) 3.830 25.857 ( -1.259 1.886 0.986) 2.472 25.897 ( -2.358 -2.141 -2.323) 3.942 26.738 ( -3.372 8.784 1.491) 9.527 26.779 ( -5.412 8.293 -2.067) 10.116 26.894 ( -4.404 -6.079 1.178) 7.598 26.924 ( -5.764 -5.580 -1.442) 8.151 ======================= Grid point 66 (29/30) ======================= q-point: ( 0.33 0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-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 2.98e-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 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 68 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.663 ( 9.687 10.796 5.404) 15.480 2.754 ( 5.008 4.617 2.477) 7.248 2.895 ( 5.710 4.299 -2.304) 7.510 2.924 ( 4.223 6.693 -1.525) 8.059 3.033 ( 4.431 9.768 -0.056) 10.726 3.101 ( 2.848 0.291 -4.224) 5.103 3.251 ( 0.170 -2.997 2.847) 4.138 3.327 ( 2.013 -2.700 -3.260) 4.687 3.455 ( 6.410 0.146 4.751) 7.980 3.562 ( 7.580 0.850 -0.295) 7.633 3.580 ( 7.123 -6.171 4.035) 10.251 3.688 ( 2.553 -5.359 -0.704) 5.978 3.827 ( 6.144 5.291 0.763) 8.144 3.888 ( -2.305 0.419 -4.927) 5.456 3.920 ( 3.006 -1.724 3.443) 4.885 4.027 ( 8.218 -7.540 -4.899) 12.182 4.125 ( 7.515 -1.954 -0.366) 7.773 4.161 ( 6.641 5.588 -3.669) 9.423 4.226 ( 6.500 -8.385 3.695) 11.235 4.305 ( 2.604 -4.891 -2.386) 6.033 4.404 ( 2.685 5.330 8.105) 10.066 4.509 ( 3.279 -2.837 5.369) 6.901 4.551 ( 3.095 0.321 -1.906) 3.649 4.600 ( 1.356 -2.670 -1.279) 3.256 4.668 ( -1.298 1.807 1.832) 2.882 4.711 ( 2.480 -2.437 2.662) 4.379 4.789 ( -1.643 0.275 -3.321) 3.715 4.842 ( -3.553 -2.633 -7.628) 8.817 4.990 ( 1.311 0.136 2.862) 3.151 5.034 ( -1.011 -1.930 5.267) 5.700 5.073 ( -0.403 1.079 -4.276) 4.428 5.146 ( 1.005 -2.272 -2.062) 3.228 5.176 ( 3.369 4.112 0.947) 5.399 5.236 ( 0.881 0.230 -4.329) 4.424 5.302 ( 3.411 2.333 3.798) 5.613 5.381 ( -3.056 -1.067 1.836) 3.722 5.407 ( -1.673 2.396 -3.319) 4.422 5.452 ( 1.298 -2.597 2.152) 3.614 5.473 ( -2.943 0.296 -4.411) 5.311 5.542 ( 0.586 -1.067 -2.865) 3.113 5.610 ( 1.732 -0.889 5.041) 5.403 5.664 ( 4.881 -2.752 4.564) 7.227 5.715 ( 1.912 1.150 -1.560) 2.723 5.754 ( 5.761 -1.411 -2.248) 6.343 5.903 ( 5.503 5.311 3.583) 8.445 5.947 ( 2.890 6.476 -2.652) 7.571 5.991 ( 2.855 -0.597 2.864) 4.088 6.052 ( 5.139 -0.094 0.045) 5.140 6.060 ( 8.673 3.194 2.156) 9.490 6.115 ( 4.017 0.666 -2.805) 4.945 6.137 ( 7.235 -1.286 -0.676) 7.379 6.210 ( 2.254 -1.446 -4.036) 4.844 6.265 ( 3.091 -1.236 2.771) 4.331 6.305 ( 5.580 -0.734 2.171) 6.032 6.346 ( 0.322 -1.569 1.830) 2.432 6.386 ( 0.884 -3.044 -2.595) 4.096 6.467 ( 4.168 3.622 -4.497) 7.121 6.486 ( 2.505 2.393 -1.739) 3.876 6.583 ( 5.225 1.724 -3.345) 6.439 6.642 ( 2.472 -1.687 -4.755) 5.618 6.738 ( 2.327 0.753 1.843) 3.062 6.747 ( 0.650 0.628 1.533) 1.779 6.827 ( -4.878 1.777 -1.543) 5.416 6.847 ( -3.549 1.505 -4.336) 5.801 6.998 ( -0.809 1.334 4.142) 4.426 7.039 ( -2.246 -1.634 4.831) 5.572 7.114 ( 0.809 2.220 -3.985) 4.632 7.150 ( 1.761 -0.517 -3.036) 3.548 7.235 ( 0.187 6.475 2.947) 7.117 7.271 ( -0.214 2.820 0.551) 2.882 7.322 ( -1.780 1.705 1.916) 3.122 7.383 ( -2.766 -2.684 -1.582) 4.166 7.471 ( -1.062 4.355 4.743) 6.526 7.543 ( -3.395 0.552 1.524) 3.762 7.639 ( 0.727 5.168 1.579) 5.452 7.729 ( 1.441 2.144 -3.775) 4.574 7.756 ( -2.482 -2.303 1.616) 3.752 7.797 ( -0.209 -2.185 -0.522) 2.256 7.848 ( 1.413 -3.459 6.021) 7.086 7.904 ( 5.369 -2.583 -1.717) 6.201 7.945 ( 1.070 1.732 3.029) 3.650 8.017 ( 0.308 -2.478 -0.456) 2.539 8.088 ( -0.488 1.167 0.211) 1.283 8.153 ( 2.291 1.175 -1.283) 2.877 8.174 ( 1.599 -2.696 -3.553) 4.738 8.214 ( 0.301 -1.706 -4.363) 4.694 8.289 ( -1.944 -2.378 2.279) 3.824 8.322 ( 3.249 -3.388 4.652) 6.609 8.420 ( 5.446 2.003 -5.325) 7.876 8.481 ( 5.596 -2.962 -7.316) 9.675 8.695 ( -3.673 1.630 3.586) 5.386 8.731 ( -5.369 -1.384 4.397) 7.076 8.813 ( 3.320 3.444 -3.206) 5.759 8.856 ( -1.511 0.441 -3.381) 3.729 8.924 ( 1.806 0.688 2.022) 2.797 8.953 ( 3.518 -1.957 0.280) 4.035 9.098 ( 2.201 4.678 4.853) 7.091 9.121 ( -1.928 2.128 2.421) 3.756 9.197 ( 3.698 0.582 -0.141) 3.746 9.262 ( 1.428 -1.446 -2.141) 2.953 9.358 ( -2.611 0.637 1.298) 2.985 9.388 ( -0.113 -0.792 -2.290) 2.426 9.497 ( -3.185 2.728 1.632) 4.499 9.565 ( 0.815 -2.421 -2.470) 3.554 9.650 ( 4.308 0.745 1.667) 4.679 9.687 ( 3.592 3.467 -0.124) 4.994 9.722 ( 5.579 -4.968 1.965) 7.724 9.781 ( 3.005 -2.997 -0.062) 4.245 9.899 ( -2.487 5.455 -0.437) 6.011 9.939 ( -2.766 0.037 -2.428) 3.681 9.996 ( 2.971 -0.871 1.624) 3.496 10.026 ( 3.524 -1.365 -1.577) 4.094 10.174 ( -2.000 1.114 1.759) 2.887 10.234 ( 0.452 -0.774 -2.424) 2.585 10.276 ( -0.130 -5.558 0.578) 5.589 10.337 ( -2.892 -6.678 -1.575) 7.446 10.471 ( -0.429 0.799 3.367) 3.487 10.499 ( -3.984 -0.480 1.200) 4.189 10.633 ( -3.191 1.412 -1.849) 3.949 10.679 ( -5.561 -1.181 -6.428) 8.581 10.788 ( -0.421 3.165 5.823) 6.641 10.851 ( -2.063 1.240 2.675) 3.598 10.914 ( -3.171 -1.001 2.225) 4.001 10.949 ( -0.744 -2.899 2.495) 3.897 10.974 ( -1.249 1.112 -2.422) 2.943 11.024 ( -0.144 -4.271 -2.750) 5.082 11.135 ( -9.606 -1.945 3.614) 10.446 11.195 ( -9.796 -6.509 -1.744) 11.890 11.325 ( -7.781 1.606 4.115) 8.947 11.369 ( -11.933 -2.566 6.354) 13.760 11.421 ( -6.902 3.737 -5.571) 9.625 11.488 ( -12.400 -3.338 -1.916) 12.984 11.591 ( -10.662 7.030 -4.117) 13.418 11.631 ( -4.666 2.079 -3.567) 6.230 11.701 ( -8.562 -2.190 -3.183) 9.393 11.733 ( -4.173 -5.574 -3.716) 7.893 11.932 ( -4.139 5.464 6.991) 9.791 12.016 ( -6.126 -2.631 5.128) 8.411 12.071 ( -5.208 4.703 -5.340) 8.818 12.120 ( -5.425 0.153 -4.418) 6.998 12.415 ( -10.371 6.285 4.041) 12.782 12.457 ( -11.888 3.025 0.165) 12.267 12.649 ( -12.822 -0.279 7.320) 14.767 12.709 ( -12.929 -5.911 4.538) 14.923 12.863 ( -2.378 2.734 1.999) 4.138 12.911 ( -0.827 -0.776 -1.830) 2.153 13.008 ( -2.222 2.272 1.130) 3.373 13.063 ( 0.436 0.697 -6.088) 6.143 13.191 ( 2.028 6.588 -1.419) 7.038 13.283 ( -1.379 2.281 -3.793) 4.636 13.337 ( -2.431 -8.138 3.609) 9.228 13.417 ( -3.528 -7.690 -2.036) 8.702 13.665 ( -1.701 4.353 5.410) 7.149 13.769 ( -0.712 -5.471 2.382) 6.009 13.814 ( 0.641 2.011 -6.505) 6.839 13.892 ( 1.144 -4.484 -7.509) 8.821 14.265 ( 0.758 7.247 0.730) 7.323 14.321 ( 0.692 2.401 -4.234) 4.916 14.437 ( 0.528 -4.450 -1.161) 4.629 14.448 ( 0.134 -6.722 -2.399) 7.138 14.739 ( 4.690 6.021 8.862) 11.695 14.841 ( 4.517 1.469 3.576) 5.946 14.916 ( 6.767 -3.059 2.018) 7.696 15.025 ( 5.525 -8.761 -4.006) 11.105 15.497 ( 2.717 2.947 4.830) 6.277 15.577 ( 4.460 -3.562 2.377) 6.183 15.606 ( 1.113 0.786 -0.407) 1.422 15.688 ( 2.208 -5.830 -2.739) 6.809 15.870 ( 6.910 4.665 0.977) 8.394 15.920 ( 7.817 0.050 -2.943) 8.353 16.130 ( 2.394 3.793 1.139) 4.627 16.163 ( 4.263 0.548 -2.744) 5.099 16.354 ( 2.682 4.136 3.420) 6.000 16.428 ( 2.215 -3.036 -3.604) 5.207 16.584 ( -3.804 0.442 0.913) 3.937 16.615 ( -4.228 -1.871 -1.655) 4.911 16.930 ( 6.255 1.701 3.217) 7.237 16.978 ( 4.935 -1.498 3.021) 5.977 17.031 ( 1.575 3.411 -0.732) 3.828 17.115 ( 1.090 -4.140 -4.226) 6.015 17.926 ( -5.804 7.131 0.829) 9.231 17.949 ( -8.525 11.162 -0.702) 14.063 18.035 ( -7.100 -2.854 4.607) 8.932 18.141 ( -10.439 -6.775 -4.437) 13.212 18.745 ( -4.441 3.875 2.490) 6.398 18.786 ( -4.594 -0.033 0.481) 4.619 18.860 ( -7.726 2.543 -0.859) 8.179 18.906 ( -7.020 -1.730 -3.191) 7.903 19.485 ( -1.773 2.168 5.341) 6.031 19.502 ( -2.107 0.676 5.401) 5.837 19.668 ( -1.417 0.597 -4.887) 5.123 19.702 ( -1.649 -3.101 -5.934) 6.896 20.083 ( 1.179 3.993 1.074) 4.300 20.117 ( 3.421 1.530 -2.301) 4.397 20.397 ( -4.017 -0.917 5.189) 6.626 20.486 ( -5.835 -8.812 -2.961) 10.976 21.940 ( 3.058 2.162 1.956) 4.225 21.963 ( 2.772 0.167 0.634) 2.849 22.082 ( 1.107 0.399 -2.029) 2.345 22.106 ( 0.755 -1.735 -3.357) 3.853 22.551 ( 1.625 2.243 6.762) 7.308 22.554 ( 1.496 2.051 6.697) 7.162 22.761 ( 2.082 -3.320 -7.001) 8.023 22.768 ( 1.590 -3.858 -7.196) 8.319 23.330 ( 6.042 6.975 5.191) 10.587 23.354 ( 5.397 6.131 3.988) 9.090 23.558 ( 6.297 -7.072 -1.269) 9.554 23.600 ( 5.172 -9.780 -3.968) 11.753 25.695 ( 3.768 0.655 0.750) 3.897 25.705 ( 3.656 -0.317 -0.060) 3.670 25.835 ( -1.054 0.839 0.370) 1.397 25.855 ( -2.070 -0.977 -1.206) 2.587 26.676 ( -2.846 7.523 0.791) 8.082 26.695 ( -3.243 6.925 -0.890) 7.698 26.810 ( -4.074 -5.868 0.500) 7.161 26.821 ( -4.604 -5.555 -0.495) 7.232 ======================= Grid point 67 (30/30) ======================= q-point: ( 0.44 0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-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 2.98e-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 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 68 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.758 ( 2.223 9.497 3.073) 10.226 2.785 ( -0.698 9.034 1.865) 9.251 2.940 ( 1.291 -3.343 0.433) 3.609 2.964 ( -1.112 -3.799 -1.147) 4.122 3.147 ( 5.026 2.898 -1.153) 5.915 3.157 ( 2.873 1.902 -1.802) 3.889 3.265 ( 2.244 -6.281 2.726) 7.206 3.323 ( -2.199 -9.715 -1.939) 10.148 3.546 ( 3.107 -0.260 5.057) 5.941 3.599 ( -1.913 -4.795 3.526) 6.251 3.670 ( 1.787 -0.218 -5.561) 5.845 3.712 ( -2.035 -3.400 -5.721) 6.960 3.888 ( 7.355 5.750 4.509) 10.368 3.945 ( 4.373 1.873 3.788) 6.081 4.024 ( 2.285 3.966 -2.307) 5.126 4.076 ( -4.297 -0.339 -1.938) 4.726 4.230 ( 7.734 2.328 4.903) 9.448 4.291 ( 5.436 0.206 2.396) 5.944 4.339 ( 4.026 -2.758 2.276) 5.385 4.376 ( 4.329 -4.808 0.743) 6.513 4.445 ( -0.379 1.619 3.440) 3.821 4.460 ( -7.531 -0.094 3.867) 8.466 4.599 ( 1.457 0.772 -4.347) 4.649 4.637 ( -0.554 -2.256 -1.261) 2.644 4.657 ( 1.829 -0.180 -4.540) 4.898 4.702 ( -1.317 -3.161 -5.073) 6.121 4.751 ( -1.906 -3.982 -5.517) 7.066 4.765 ( -3.234 -3.863 -7.239) 8.820 4.989 ( 2.232 1.733 1.873) 3.391 5.023 ( -0.317 -1.230 0.267) 1.298 5.049 ( -0.676 2.285 2.066) 3.154 5.111 ( -5.133 -2.647 -0.787) 5.829 5.228 ( 2.766 1.402 2.864) 4.221 5.261 ( 1.719 0.190 2.988) 3.452 5.306 ( -0.051 -0.088 -1.023) 1.028 5.341 ( -2.235 -1.508 -1.360) 3.020 5.413 ( 1.052 0.533 1.229) 1.704 5.442 ( 2.049 -1.834 -0.185) 2.756 5.509 ( -1.976 0.691 0.260) 2.110 5.530 ( -1.289 -1.387 -0.558) 1.974 5.693 ( 6.964 3.895 3.955) 8.905 5.734 ( 2.457 -0.457 3.705) 4.469 5.801 ( 5.796 4.539 -2.089) 7.652 5.866 ( 3.343 -0.455 -5.659) 6.588 5.951 ( 3.860 1.588 2.392) 4.811 5.982 ( 0.684 -1.391 1.127) 1.916 6.027 ( -3.388 2.622 -1.409) 4.510 6.061 ( -1.999 -0.160 -2.857) 3.490 6.135 ( 1.413 5.740 0.984) 5.993 6.176 ( -0.825 2.320 0.732) 2.568 6.205 ( 1.063 1.619 -1.274) 2.318 6.240 ( -2.667 -0.915 -3.493) 4.489 6.354 ( 6.437 2.179 2.157) 7.130 6.376 ( 4.451 -1.209 4.220) 6.251 6.413 ( 3.865 0.934 -0.983) 4.096 6.437 ( 2.119 0.883 -0.530) 2.356 6.513 ( 3.710 1.673 -0.433) 4.093 6.539 ( 0.137 1.083 -1.113) 1.559 6.597 ( -3.486 -2.358 0.761) 4.277 6.620 ( -3.516 -0.984 -0.415) 3.675 6.747 ( 0.699 3.514 1.671) 3.954 6.763 ( 0.489 2.826 0.092) 2.870 6.827 ( 1.926 -1.753 -0.744) 2.708 6.846 ( 1.450 -1.637 -1.136) 2.465 6.969 ( -0.609 3.453 1.528) 3.825 7.012 ( -3.052 0.959 0.708) 3.276 7.069 ( -1.417 1.612 -3.267) 3.908 7.118 ( -4.147 -2.020 -4.119) 6.184 7.229 ( 1.645 2.883 3.937) 5.149 7.246 ( 1.208 2.230 3.086) 3.994 7.337 ( -1.672 2.429 -0.469) 2.986 7.376 ( -4.242 -0.173 -2.556) 4.956 7.436 ( 3.970 3.578 1.983) 5.700 7.487 ( 1.195 -0.357 -1.393) 1.869 7.592 ( -3.859 1.951 -0.833) 4.404 7.637 ( -6.833 -2.088 -2.520) 7.576 7.836 ( 6.579 4.506 2.783) 8.446 7.867 ( 4.453 2.956 0.664) 5.386 7.917 ( 2.574 -2.563 0.904) 3.743 7.956 ( -0.673 -3.892 -0.042) 3.950 7.993 ( 2.310 2.376 4.505) 5.592 8.036 ( -1.098 -3.062 3.038) 4.451 8.066 ( -0.601 3.932 -2.177) 4.535 8.134 ( -4.086 -2.626 -4.320) 6.500 8.263 ( 6.959 0.714 0.649) 7.026 8.290 ( 6.196 1.125 -1.850) 6.564 8.330 ( 5.313 2.554 4.507) 7.420 8.409 ( 2.863 -6.360 4.691) 8.406 8.549 ( 2.113 2.521 -2.680) 4.242 8.569 ( 2.838 -1.123 0.087) 3.053 8.646 ( -1.425 2.154 5.440) 6.022 8.685 ( 2.741 -2.135 3.571) 4.983 8.799 ( -2.151 0.838 -7.135) 7.499 8.849 ( -6.890 5.397 -6.524) 10.916 8.873 ( 1.059 -5.808 -4.524) 7.438 8.939 ( -2.767 -2.623 -5.127) 6.389 9.117 ( 2.769 3.044 4.697) 6.244 9.156 ( 0.422 0.801 3.570) 3.683 9.268 ( 1.763 1.340 -2.199) 3.120 9.308 ( -2.138 -0.624 -3.330) 4.006 9.416 ( 10.659 1.382 3.590) 11.332 9.475 ( 9.533 -3.289 -0.618) 10.104 9.510 ( 6.041 -4.439 -0.576) 7.519 9.545 ( 2.775 -6.735 -2.248) 7.624 9.674 ( -2.512 4.637 4.530) 6.952 9.734 ( -6.613 2.084 0.449) 6.948 9.775 ( -1.848 -1.206 0.859) 2.368 9.802 ( -4.548 -0.460 -1.387) 4.777 9.933 ( 2.481 1.637 3.009) 4.229 9.953 ( 6.707 -0.045 2.718) 7.237 10.026 ( 2.198 -1.338 -1.516) 2.987 10.052 ( 4.706 -3.258 -3.092) 6.506 10.167 ( -0.871 2.285 2.236) 3.313 10.214 ( 1.526 0.027 0.106) 1.530 10.261 ( -8.714 1.676 -2.403) 9.194 10.297 ( -4.341 -0.548 -3.724) 5.746 10.432 ( -0.800 -2.969 -1.133) 3.277 10.450 ( 1.393 -3.929 -2.053) 4.647 10.489 ( -7.898 -1.288 -1.873) 8.218 10.541 ( -5.547 -5.946 -4.208) 9.156 10.725 ( -3.512 4.120 5.963) 8.054 10.783 ( -5.671 0.987 2.959) 6.473 10.816 ( -5.890 -0.689 7.405) 9.487 10.880 ( -5.703 -2.366 2.391) 6.621 10.956 ( 1.766 1.408 4.235) 4.800 10.981 ( -1.198 -0.263 2.328) 2.631 11.083 ( 1.481 -1.254 4.180) 4.608 11.101 ( 1.463 -1.150 1.587) 2.446 11.170 ( -3.911 -0.237 1.593) 4.230 11.244 ( -3.542 -4.205 -4.393) 7.037 11.272 ( -5.794 -1.320 -6.654) 8.921 11.320 ( -5.562 -5.559 -4.299) 8.962 11.409 ( -6.312 7.347 -2.673) 10.048 11.466 ( -8.700 5.715 -3.555) 10.999 11.627 ( -0.667 -5.630 -4.716) 7.375 11.661 ( -3.934 -5.198 -6.292) 9.060 11.949 ( 4.526 3.523 5.936) 8.255 11.973 ( 1.581 1.441 3.986) 4.523 12.042 ( 1.264 3.908 -0.615) 4.154 12.086 ( 1.017 0.632 -4.820) 4.967 12.231 ( -8.032 6.079 4.921) 11.211 12.254 ( -7.007 5.202 3.741) 9.495 12.429 ( -6.948 -5.564 3.102) 9.427 12.463 ( -9.596 -7.433 1.655) 12.250 12.876 ( 2.235 2.378 5.452) 6.354 12.910 ( 0.125 1.559 2.069) 2.594 12.969 ( -1.023 -1.664 5.292) 5.641 13.017 ( -4.344 -2.941 1.091) 5.358 13.255 ( 3.364 5.916 -4.336) 8.069 13.287 ( 2.305 3.795 -5.433) 7.017 13.334 ( -0.124 -1.583 -3.705) 4.031 13.377 ( -2.259 -2.491 -7.834) 8.525 13.665 ( 1.909 1.069 7.984) 8.278 13.717 ( -3.049 -2.791 5.456) 6.845 13.855 ( 2.368 -1.320 -6.094) 6.670 13.894 ( -1.254 -4.004 -7.383) 8.492 14.311 ( 2.901 4.860 -2.364) 6.134 14.339 ( 0.261 2.448 -4.372) 5.017 14.448 ( 0.508 -5.259 -2.326) 5.773 14.455 ( -0.018 -5.908 -2.986) 6.620 14.827 ( 4.025 6.086 10.983) 13.186 14.877 ( -0.752 2.563 9.502) 9.871 15.042 ( 5.215 -1.070 -3.401) 6.317 15.090 ( 0.590 -4.459 -4.608) 6.439 15.550 ( 2.720 1.073 4.660) 5.502 15.591 ( -1.306 -1.828 4.255) 4.811 15.656 ( 2.872 -1.992 -3.239) 4.766 15.697 ( -1.164 -4.859 -3.524) 6.115 16.005 ( 6.574 4.698 3.607) 8.849 16.061 ( 5.375 -0.352 -0.031) 5.386 16.121 ( -1.810 4.894 1.895) 5.551 16.177 ( -2.704 -0.087 -2.509) 3.690 16.407 ( 3.131 3.564 2.874) 5.547 16.461 ( -0.685 0.104 -0.675) 0.967 16.515 ( -0.962 -1.905 -1.521) 2.621 16.550 ( -2.878 -3.376 -2.993) 5.352 17.016 ( 2.586 1.263 2.631) 3.899 17.032 ( 0.781 -0.325 3.839) 3.932 17.089 ( 3.551 1.961 -3.650) 5.457 17.130 ( -0.346 -1.928 -4.387) 4.805 17.826 ( -2.856 8.876 0.333) 9.330 17.837 ( -3.432 7.572 -0.412) 8.324 17.949 ( -1.535 -5.219 1.740) 5.711 17.986 ( -5.342 -6.845 -1.533) 8.817 18.682 ( -1.466 2.018 3.988) 4.704 18.701 ( -3.397 0.163 4.157) 5.371 18.781 ( -0.984 1.911 -4.050) 4.584 18.805 ( -3.374 -0.425 -4.268) 5.457 19.457 ( -0.703 2.205 6.622) 7.015 19.464 ( -1.397 1.596 6.717) 7.044 19.649 ( -0.224 -0.637 -7.133) 7.164 19.663 ( -1.661 -2.080 -7.585) 8.038 20.150 ( 4.266 5.920 2.135) 7.602 20.186 ( 2.007 4.842 -1.329) 5.407 20.329 ( -1.622 -6.092 3.096) 7.023 20.376 ( -5.149 -8.177 -1.198) 9.737 21.987 ( 1.728 2.163 2.319) 3.612 21.998 ( 0.714 1.367 1.971) 2.502 22.096 ( 0.582 -0.792 -3.545) 3.679 22.107 ( -0.456 -1.618 -3.894) 4.242 22.573 ( 0.699 2.693 6.584) 7.148 22.575 ( 0.509 2.577 6.519) 7.028 22.791 ( 0.907 -4.019 -7.083) 8.194 22.793 ( 0.684 -4.131 -7.125) 8.265 23.414 ( 2.534 7.086 5.244) 9.172 23.423 ( 1.593 6.808 4.849) 8.509 23.645 ( 2.691 -7.498 -2.492) 8.347 23.660 ( 1.111 -8.419 -3.421) 9.155 25.760 ( 2.819 0.795 0.523) 2.975 25.766 ( 2.490 0.154 0.006) 2.495 25.812 ( -1.462 0.112 -0.200) 1.480 25.816 ( -1.930 -0.200 -0.447) 1.991 26.641 ( -0.636 5.945 0.545) 6.004 26.650 ( -1.504 5.635 -0.279) 5.839 26.752 ( -1.507 -5.157 0.121) 5.374 26.757 ( -1.944 -4.995 -0.313) 5.369 =================== End of collection of collisions =================== ----------- Thermal conductivity (W/m-k) with tetrahedron method ----------- # T(K) xx yy zz yz xz xy #ipm 0.0 0.000 0.000 0.000 0.000 0.000 0.000 3/29160 10.0 2775.798 4251.264 830.324 0.000 0.000 0.000 3/29160 20.0 845.188 923.483 759.850 0.000 0.000 0.000 3/29160 30.0 219.479 249.215 212.504 0.000 0.000 0.000 3/29160 40.0 89.085 102.066 85.252 0.000 0.000 0.000 3/29160 50.0 47.985 54.491 44.930 0.000 0.000 0.000 3/29160 60.0 30.491 34.197 28.019 0.000 0.000 0.000 3/29160 70.0 21.486 23.824 19.467 0.000 0.000 0.000 3/29160 80.0 16.234 17.830 14.553 0.000 0.000 0.000 3/29160 90.0 12.891 14.047 11.462 0.000 0.000 0.000 3/29160 100.0 10.621 11.498 9.381 0.000 0.000 0.000 3/29160 110.0 9.001 9.689 7.905 0.000 0.000 0.000 3/29160 120.0 7.798 8.352 6.815 0.000 0.000 0.000 3/29160 130.0 6.875 7.332 5.981 0.000 0.000 0.000 3/29160 140.0 6.147 6.531 5.327 0.000 0.000 0.000 3/29160 150.0 5.561 5.887 4.801 0.000 0.000 0.000 3/29160 160.0 5.080 5.360 4.371 0.000 0.000 0.000 3/29160 170.0 4.678 4.922 4.012 0.000 0.000 0.000 3/29160 180.0 4.338 4.552 3.709 0.000 0.000 0.000 3/29160 190.0 4.046 4.235 3.450 0.000 0.000 0.000 3/29160 200.0 3.792 3.961 3.226 0.000 0.000 0.000 3/29160 210.0 3.571 3.722 3.030 0.000 0.000 0.000 3/29160 220.0 3.375 3.511 2.858 0.000 0.000 0.000 3/29160 230.0 3.201 3.324 2.705 0.000 0.000 0.000 3/29160 240.0 3.045 3.157 2.569 0.000 0.000 0.000 3/29160 250.0 2.904 3.007 2.446 0.000 0.000 0.000 3/29160 260.0 2.777 2.871 2.335 0.000 0.000 0.000 3/29160 270.0 2.660 2.748 2.234 0.000 0.000 0.000 3/29160 280.0 2.554 2.635 2.141 0.000 0.000 0.000 3/29160 290.0 2.457 2.532 2.057 0.000 0.000 0.000 3/29160 300.0 2.366 2.437 1.979 0.000 0.000 0.000 3/29160 310.0 2.283 2.349 1.907 0.000 0.000 0.000 3/29160 320.0 2.206 2.267 1.841 0.000 0.000 0.000 3/29160 330.0 2.134 2.192 1.779 0.000 0.000 0.000 3/29160 340.0 2.066 2.121 1.721 0.000 0.000 0.000 3/29160 350.0 2.003 2.055 1.667 0.000 0.000 0.000 3/29160 360.0 1.944 1.993 1.617 0.000 0.000 0.000 3/29160 370.0 1.889 1.935 1.569 0.000 0.000 0.000 3/29160 380.0 1.836 1.881 1.525 0.000 0.000 0.000 3/29160 390.0 1.787 1.829 1.483 0.000 0.000 0.000 3/29160 400.0 1.740 1.781 1.443 0.000 0.000 0.000 3/29160 410.0 1.696 1.735 1.406 0.000 0.000 0.000 3/29160 420.0 1.654 1.691 1.370 0.000 0.000 0.000 3/29160 430.0 1.614 1.650 1.336 0.000 0.000 0.000 3/29160 440.0 1.576 1.610 1.304 0.000 0.000 0.000 3/29160 450.0 1.539 1.573 1.274 0.000 0.000 0.000 3/29160 460.0 1.505 1.537 1.244 0.000 0.000 0.000 3/29160 470.0 1.472 1.503 1.217 0.000 0.000 0.000 3/29160 480.0 1.440 1.471 1.190 0.000 0.000 0.000 3/29160 490.0 1.410 1.439 1.165 0.000 0.000 0.000 3/29160 500.0 1.381 1.410 1.140 0.000 0.000 0.000 3/29160 510.0 1.354 1.381 1.117 0.000 0.000 0.000 3/29160 520.0 1.327 1.354 1.095 0.000 0.000 0.000 3/29160 530.0 1.301 1.327 1.073 0.000 0.000 0.000 3/29160 540.0 1.277 1.302 1.053 0.000 0.000 0.000 3/29160 550.0 1.253 1.278 1.033 0.000 0.000 0.000 3/29160 560.0 1.230 1.254 1.014 0.000 0.000 0.000 3/29160 570.0 1.208 1.232 0.996 0.000 0.000 0.000 3/29160 580.0 1.187 1.210 0.978 0.000 0.000 0.000 3/29160 590.0 1.167 1.189 0.961 0.000 0.000 0.000 3/29160 600.0 1.147 1.169 0.944 0.000 0.000 0.000 3/29160 610.0 1.128 1.149 0.929 0.000 0.000 0.000 3/29160 620.0 1.109 1.130 0.913 0.000 0.000 0.000 3/29160 630.0 1.092 1.112 0.898 0.000 0.000 0.000 3/29160 640.0 1.074 1.094 0.884 0.000 0.000 0.000 3/29160 650.0 1.058 1.077 0.870 0.000 0.000 0.000 3/29160 660.0 1.041 1.061 0.857 0.000 0.000 0.000 3/29160 670.0 1.026 1.045 0.843 0.000 0.000 0.000 3/29160 680.0 1.010 1.029 0.831 0.000 0.000 0.000 3/29160 690.0 0.996 1.014 0.819 0.000 0.000 0.000 3/29160 700.0 0.981 0.999 0.807 0.000 0.000 0.000 3/29160 710.0 0.967 0.985 0.795 0.000 0.000 0.000 3/29160 720.0 0.954 0.971 0.784 0.000 0.000 0.000 3/29160 730.0 0.941 0.958 0.773 0.000 0.000 0.000 3/29160 740.0 0.928 0.944 0.762 0.000 0.000 0.000 3/29160 750.0 0.915 0.932 0.752 0.000 0.000 0.000 3/29160 760.0 0.903 0.919 0.742 0.000 0.000 0.000 3/29160 770.0 0.891 0.907 0.732 0.000 0.000 0.000 3/29160 780.0 0.880 0.895 0.723 0.000 0.000 0.000 3/29160 790.0 0.869 0.884 0.713 0.000 0.000 0.000 3/29160 800.0 0.858 0.873 0.704 0.000 0.000 0.000 3/29160 810.0 0.847 0.862 0.695 0.000 0.000 0.000 3/29160 820.0 0.837 0.851 0.687 0.000 0.000 0.000 3/29160 830.0 0.827 0.841 0.678 0.000 0.000 0.000 3/29160 840.0 0.817 0.831 0.670 0.000 0.000 0.000 3/29160 850.0 0.807 0.821 0.662 0.000 0.000 0.000 3/29160 860.0 0.798 0.811 0.654 0.000 0.000 0.000 3/29160 870.0 0.788 0.802 0.647 0.000 0.000 0.000 3/29160 880.0 0.779 0.793 0.639 0.000 0.000 0.000 3/29160 890.0 0.771 0.784 0.632 0.000 0.000 0.000 3/29160 900.0 0.762 0.775 0.625 0.000 0.000 0.000 3/29160 910.0 0.754 0.767 0.618 0.000 0.000 0.000 3/29160 920.0 0.745 0.758 0.611 0.000 0.000 0.000 3/29160 930.0 0.737 0.750 0.605 0.000 0.000 0.000 3/29160 940.0 0.729 0.742 0.598 0.000 0.000 0.000 3/29160 950.0 0.722 0.734 0.592 0.000 0.000 0.000 3/29160 960.0 0.714 0.726 0.586 0.000 0.000 0.000 3/29160 970.0 0.707 0.719 0.579 0.000 0.000 0.000 3/29160 980.0 0.700 0.711 0.574 0.000 0.000 0.000 3/29160 990.0 0.692 0.704 0.568 0.000 0.000 0.000 3/29160 1000.0 0.685 0.697 0.562 0.000 0.000 0.000 3/29160 Thermal conductivity related properties were written into "kappa-m953.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 08:49:27]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|